USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN :FLIP amide:sc= -2.37! C(o=-6.3!,f=-2.5!) USER MOD Set 1.2: A 157 ASN : amide:sc= -0.0856 K(o=-2.5,f=-4) USER MOD Set 2.1: A 69 THR OG1 : rot -79:sc= 1.48 USER MOD Set 2.2: A 117 LYS NZ :NH3+ -179:sc= 1.28 (180deg=0.802) USER MOD Set 3.1: A 43 SER OG : rot -99:sc= -1.6! USER MOD Set 3.2: A 47 LYS NZ :NH3+ -153:sc= 1.29 (180deg=1.07) USER MOD Set 4.1: A 1 MET N :NH3+ -115:sc= -0.389 (180deg=-0.385) USER MOD Set 4.2: A 4 SER OG : rot 161:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.126 (180deg=-0.616) USER MOD Single : A 2 SER OG : rot -71:sc= 0.803 USER MOD Single : A 3 GLN : amide:sc= -0.0359 K(o=-0.036,f=-3.7!) USER MOD Single : A 5 ASN : amide:sc= -1.09! C(o=-1.1!,f=-1.9!) USER MOD Single : A 14 SER OG : rot 80:sc= 1.21 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0.584 (180deg=-0.492) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00772 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 28 SER OG : rot 165:sc= -1.4 USER MOD Single : A 33 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 35 THR OG1 : rot 45:sc= 0.0688 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 130:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.61! C(o=-3.4!,f=-1.6!) USER MOD Single : A 73 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=-0.082) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.32! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -115:sc= 0.851 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 88 ASN : amide:sc= 0.176 X(o=0.18,f=-0.058) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.926 F(o=-3.1,f=-0.93) USER MOD Single : A 105 SER OG : rot 61:sc= 1.27 USER MOD Single : A 111 CYS SG : rot 163:sc= -14.3! USER MOD Single : A 114 SER OG : rot 70:sc= 0.512 USER MOD Single : A 119 MET CE :methyl -151:sc= -5.34! (180deg=-10.1!) USER MOD Single : A 120 GLN : amide:sc= 0.309! C(o=0.31!,f=-5.5!) USER MOD Single : A 124 SER OG : rot 67:sc= -0.764 USER MOD Single : A 130 MET CE :methyl -152:sc= -7.47! (180deg=-9.34!) USER MOD Single : A 132 THR OG1 : rot 77:sc= 0.441 USER MOD Single : A 133 TYR OH : rot -170:sc= 0.142 USER MOD Single : A 135 ASN : amide:sc= -0.773 K(o=-0.77,f=-3.4!) USER MOD Single : A 137 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.9!) USER MOD Single : A 143 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.92) USER MOD Single : A 145 ASN : amide:sc= 0.811 K(o=0.81,f=-1.8) USER MOD Single : A 150 THR OG1 : rot 108:sc= 0.549 USER MOD Single : A 155 TYR OH : rot -130:sc= -1.07 USER MOD Single : A 158 ASN :FLIP amide:sc= -1.1 F(o=-2.1!,f=-1.1) USER MOD Single : A 163 SER OG : rot 62:sc= 1.21 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= -0.0093 K(o=-0.0093,f=-0.55) USER MOD Single : A 172 HIS :FLIP no HE2:sc= 0.171 F(o=-0.75,f=0.17) USER MOD Single : A 173 HIS : no HE2:sc= -0.927 K(o=-0.93,f=-1.7) USER MOD Single : A 174 HIS : no HD1:sc= -0.043 X(o=-0.043,f=-0.0025) USER MOD Single : A 175 HIS :FLIP no HE2:sc= -0.88 F(o=-2.5!,f=-0.88) USER MOD Single : A 176 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0.002) USER MOD Single : A 177 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1016 ASN : amide:sc= -1.03 K(o=-1,f=-4.4!) USER MOD Single : B1100 33B O62 : rot -119:sc= -3.93! USER MOD Single : B1100 33B O72 : rot -94:sc= 1.45 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.334 10.659 11.952 1.00 4.13 N ATOM 2 CA MET A 1 3.311 10.526 13.011 1.00 3.61 C ATOM 3 C MET A 1 2.243 9.529 12.581 1.00 2.48 C ATOM 4 O MET A 1 2.236 9.075 11.438 1.00 2.89 O ATOM 5 CB MET A 1 2.675 11.887 13.329 1.00 4.18 C ATOM 6 CG MET A 1 1.934 12.518 12.160 1.00 4.89 C ATOM 7 SD MET A 1 1.186 14.106 12.582 1.00 5.86 S ATOM 8 CE MET A 1 2.642 15.076 12.974 1.00 6.21 C ATOM 0 H1 MET A 1 5.246 10.306 12.304 1.00 4.13 H new ATOM 0 H2 MET A 1 4.046 10.105 11.120 1.00 4.13 H new ATOM 0 H3 MET A 1 4.430 11.660 11.686 1.00 4.13 H new ATOM 0 HA MET A 1 3.795 10.158 13.916 1.00 3.61 H new ATOM 0 HB2 MET A 1 1.982 11.766 14.161 1.00 4.18 H new ATOM 0 HB3 MET A 1 3.456 12.571 13.662 1.00 4.18 H new ATOM 0 HG2 MET A 1 2.626 12.657 11.329 1.00 4.89 H new ATOM 0 HG3 MET A 1 1.157 11.835 11.817 1.00 4.89 H new ATOM 0 HE1 MET A 1 2.397 16.137 12.924 1.00 6.21 H new ATOM 0 HE2 MET A 1 2.984 14.830 13.979 1.00 6.21 H new ATOM 0 HE3 MET A 1 3.432 14.852 12.257 1.00 6.21 H new ATOM 20 N SER A 2 1.341 9.197 13.492 1.00 1.64 N ATOM 21 CA SER A 2 0.288 8.233 13.211 1.00 0.95 C ATOM 22 C SER A 2 -0.689 8.779 12.175 1.00 0.84 C ATOM 23 O SER A 2 -1.185 8.045 11.319 1.00 1.03 O ATOM 24 CB SER A 2 -0.442 7.890 14.505 1.00 1.55 C ATOM 25 OG SER A 2 0.474 7.415 15.478 1.00 1.87 O ATOM 0 H SER A 2 1.317 9.583 14.436 1.00 1.64 H new ATOM 0 HA SER A 2 0.737 7.329 12.799 1.00 0.95 H new ATOM 0 HB2 SER A 2 -0.959 8.772 14.883 1.00 1.55 H new ATOM 0 HB3 SER A 2 -1.202 7.133 14.312 1.00 1.55 H new ATOM 0 HG SER A 2 0.786 6.521 15.225 1.00 1.87 H new ATOM 31 N GLN A 3 -0.929 10.084 12.233 1.00 0.73 N ATOM 32 CA GLN A 3 -1.845 10.742 11.309 1.00 0.73 C ATOM 33 C GLN A 3 -1.322 10.673 9.874 1.00 0.61 C ATOM 34 O GLN A 3 -2.040 10.982 8.924 1.00 0.64 O ATOM 35 CB GLN A 3 -2.069 12.204 11.717 1.00 0.83 C ATOM 36 CG GLN A 3 -2.841 12.381 13.021 1.00 1.13 C ATOM 37 CD GLN A 3 -2.071 11.912 14.244 1.00 1.76 C ATOM 38 OE1 GLN A 3 -0.841 11.967 14.277 1.00 2.42 O ATOM 39 NE2 GLN A 3 -2.786 11.445 15.252 1.00 2.22 N ATOM 0 H GLN A 3 -0.499 10.710 12.914 1.00 0.73 H new ATOM 0 HA GLN A 3 -2.798 10.214 11.354 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -1.100 12.695 11.812 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -2.607 12.714 10.918 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.097 13.433 13.143 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.779 11.830 12.957 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -3.803 11.416 15.185 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -2.321 11.113 16.097 1.00 2.22 H new ATOM 48 N SER A 4 -0.072 10.250 9.726 1.00 0.55 N ATOM 49 CA SER A 4 0.548 10.125 8.419 1.00 0.52 C ATOM 50 C SER A 4 0.157 8.811 7.750 1.00 0.45 C ATOM 51 O SER A 4 0.289 8.663 6.532 1.00 0.46 O ATOM 52 CB SER A 4 2.064 10.206 8.551 1.00 0.61 C ATOM 53 OG SER A 4 2.455 11.336 9.311 1.00 1.25 O ATOM 0 H SER A 4 0.533 9.987 10.504 1.00 0.55 H new ATOM 0 HA SER A 4 0.194 10.946 7.796 1.00 0.52 H new ATOM 0 HB2 SER A 4 2.439 9.299 9.025 1.00 0.61 H new ATOM 0 HB3 SER A 4 2.515 10.258 7.560 1.00 0.61 H new ATOM 0 HG SER A 4 3.371 11.210 9.637 1.00 1.25 H new ATOM 59 N ASN A 5 -0.339 7.854 8.540 1.00 0.43 N ATOM 60 CA ASN A 5 -0.783 6.576 7.984 1.00 0.39 C ATOM 61 C ASN A 5 -1.944 6.807 7.026 1.00 0.35 C ATOM 62 O ASN A 5 -2.222 5.987 6.151 1.00 0.35 O ATOM 63 CB ASN A 5 -1.221 5.582 9.069 1.00 0.40 C ATOM 64 CG ASN A 5 -0.154 5.231 10.077 1.00 0.80 C ATOM 65 OD1 ASN A 5 1.040 5.241 9.784 1.00 1.78 O ATOM 66 ND2 ASN A 5 -0.598 4.897 11.276 1.00 0.53 N ATOM 0 H ASN A 5 -0.442 7.939 9.551 1.00 0.43 H new ATOM 0 HA ASN A 5 0.069 6.143 7.460 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -2.078 5.999 9.599 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -1.560 4.665 8.586 1.00 0.40 H new ATOM 0 HD21 ASN A 5 0.061 4.632 12.008 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.599 4.905 11.469 1.00 0.53 H new ATOM 73 N ARG A 6 -2.613 7.938 7.209 1.00 0.35 N ATOM 74 CA ARG A 6 -3.702 8.353 6.341 1.00 0.34 C ATOM 75 C ARG A 6 -3.226 8.455 4.895 1.00 0.31 C ATOM 76 O ARG A 6 -3.899 7.996 3.975 1.00 0.30 O ATOM 77 CB ARG A 6 -4.252 9.701 6.824 1.00 0.41 C ATOM 78 CG ARG A 6 -5.311 10.309 5.918 1.00 0.59 C ATOM 79 CD ARG A 6 -6.458 9.345 5.680 1.00 0.41 C ATOM 80 NE ARG A 6 -7.118 8.952 6.928 1.00 0.68 N ATOM 81 CZ ARG A 6 -8.373 9.266 7.253 1.00 0.69 C ATOM 82 NH1 ARG A 6 -9.102 10.039 6.459 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.884 8.809 8.387 1.00 0.93 N ATOM 0 H ARG A 6 -2.414 8.593 7.965 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.496 7.607 6.381 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.675 9.571 7.820 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -3.425 10.404 6.918 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -5.692 11.226 6.367 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.861 10.584 4.964 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -7.187 9.808 5.015 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -6.084 8.456 5.173 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.580 8.399 7.595 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -8.704 10.399 5.592 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -10.061 10.274 6.716 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.319 8.223 9.002 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.843 9.043 8.645 1.00 0.93 H new ATOM 97 N GLU A 7 -2.051 9.038 4.717 1.00 0.30 N ATOM 98 CA GLU A 7 -1.480 9.253 3.392 1.00 0.29 C ATOM 99 C GLU A 7 -1.246 7.940 2.676 1.00 0.25 C ATOM 100 O GLU A 7 -1.609 7.781 1.519 1.00 0.26 O ATOM 101 CB GLU A 7 -0.150 9.976 3.498 1.00 0.31 C ATOM 102 CG GLU A 7 -0.240 11.321 4.165 1.00 0.40 C ATOM 103 CD GLU A 7 1.097 12.013 4.195 1.00 0.51 C ATOM 104 OE1 GLU A 7 1.492 12.606 3.177 1.00 0.68 O ATOM 105 OE2 GLU A 7 1.739 11.992 5.263 1.00 0.53 O ATOM 0 H GLU A 7 -1.466 9.375 5.482 1.00 0.30 H new ATOM 0 HA GLU A 7 -2.194 9.854 2.828 1.00 0.29 H new ATOM 0 HB2 GLU A 7 0.549 9.351 4.054 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.264 10.104 2.498 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.961 11.943 3.635 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.611 11.199 5.183 1.00 0.40 H new ATOM 112 N LEU A 8 -0.607 7.021 3.382 1.00 0.26 N ATOM 113 CA LEU A 8 -0.290 5.701 2.878 1.00 0.27 C ATOM 114 C LEU A 8 -1.516 5.030 2.266 1.00 0.28 C ATOM 115 O LEU A 8 -1.408 4.270 1.307 1.00 0.40 O ATOM 116 CB LEU A 8 0.263 4.883 4.039 1.00 0.34 C ATOM 117 CG LEU A 8 1.691 5.237 4.493 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.070 6.696 4.247 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.870 4.914 5.961 1.00 1.16 C ATOM 0 H LEU A 8 -0.290 7.178 4.339 1.00 0.26 H new ATOM 0 HA LEU A 8 0.451 5.774 2.082 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.407 4.999 4.891 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.243 3.830 3.758 1.00 0.34 H new ATOM 0 HG LEU A 8 2.358 4.628 3.882 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.089 6.870 4.592 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.006 6.914 3.181 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.386 7.346 4.792 1.00 1.00 H new ATOM 0 HD21 LEU A 8 2.884 5.169 6.269 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.156 5.490 6.550 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.699 3.850 6.123 1.00 1.16 H new ATOM 131 N VAL A 9 -2.676 5.327 2.829 1.00 0.23 N ATOM 132 CA VAL A 9 -3.934 4.880 2.264 1.00 0.23 C ATOM 133 C VAL A 9 -4.336 5.776 1.095 1.00 0.23 C ATOM 134 O VAL A 9 -4.437 5.323 -0.042 1.00 0.24 O ATOM 135 CB VAL A 9 -5.043 4.900 3.332 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.397 4.613 2.715 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.738 3.905 4.434 1.00 0.27 C ATOM 0 H VAL A 9 -2.770 5.879 3.682 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.804 3.858 1.907 1.00 0.23 H new ATOM 0 HB VAL A 9 -5.076 5.899 3.767 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.162 4.633 3.491 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.622 5.370 1.964 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.382 3.629 2.246 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.532 3.933 5.180 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.673 2.902 4.011 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.789 4.163 4.905 1.00 0.27 H new ATOM 147 N VAL A 10 -4.550 7.051 1.399 1.00 0.23 N ATOM 148 CA VAL A 10 -5.021 8.039 0.426 1.00 0.25 C ATOM 149 C VAL A 10 -4.227 8.004 -0.873 1.00 0.25 C ATOM 150 O VAL A 10 -4.802 7.862 -1.953 1.00 0.27 O ATOM 151 CB VAL A 10 -4.942 9.450 1.031 1.00 0.28 C ATOM 152 CG1 VAL A 10 -5.279 10.522 0.010 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.869 9.536 2.218 1.00 0.32 C ATOM 0 H VAL A 10 -4.402 7.434 2.333 1.00 0.23 H new ATOM 0 HA VAL A 10 -6.054 7.785 0.189 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.916 9.629 1.354 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -5.212 11.504 0.478 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.576 10.467 -0.821 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.292 10.366 -0.361 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.816 10.535 2.650 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.891 9.333 1.897 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.571 8.801 2.966 1.00 0.32 H new ATOM 163 N ASP A 11 -2.914 8.135 -0.757 1.00 0.26 N ATOM 164 CA ASP A 11 -2.032 8.169 -1.916 1.00 0.28 C ATOM 165 C ASP A 11 -2.207 6.912 -2.757 1.00 0.31 C ATOM 166 O ASP A 11 -2.200 6.964 -3.988 1.00 0.35 O ATOM 167 CB ASP A 11 -0.578 8.298 -1.465 1.00 0.32 C ATOM 168 CG ASP A 11 0.375 8.522 -2.619 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.610 9.696 -2.974 1.00 0.59 O ATOM 170 OD2 ASP A 11 0.903 7.531 -3.164 1.00 0.49 O ATOM 0 H ASP A 11 -2.431 8.220 0.137 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.294 9.034 -2.525 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.492 9.127 -0.762 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.287 7.395 -0.929 1.00 0.32 H new ATOM 175 N PHE A 12 -2.407 5.787 -2.084 1.00 0.32 N ATOM 176 CA PHE A 12 -2.573 4.520 -2.767 1.00 0.38 C ATOM 177 C PHE A 12 -3.908 4.483 -3.509 1.00 0.34 C ATOM 178 O PHE A 12 -3.955 4.097 -4.677 1.00 0.39 O ATOM 179 CB PHE A 12 -2.478 3.351 -1.784 1.00 0.46 C ATOM 180 CG PHE A 12 -2.211 2.036 -2.458 1.00 0.76 C ATOM 181 CD1 PHE A 12 -3.242 1.304 -3.021 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.922 1.537 -2.538 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.993 0.102 -3.650 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.667 0.332 -3.165 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.705 -0.384 -3.721 1.00 1.61 C ATOM 0 H PHE A 12 -2.458 5.730 -1.067 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.767 4.420 -3.494 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.684 3.552 -1.065 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.408 3.281 -1.220 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -4.254 1.678 -2.967 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.106 2.096 -2.105 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.807 -0.458 -4.087 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.343 -0.047 -3.219 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.509 -1.326 -4.212 1.00 1.61 H new ATOM 195 N LEU A 13 -4.993 4.897 -2.843 1.00 0.28 N ATOM 196 CA LEU A 13 -6.301 4.930 -3.486 1.00 0.28 C ATOM 197 C LEU A 13 -6.289 5.893 -4.670 1.00 0.30 C ATOM 198 O LEU A 13 -6.860 5.602 -5.722 1.00 0.34 O ATOM 199 CB LEU A 13 -7.405 5.315 -2.494 1.00 0.25 C ATOM 200 CG LEU A 13 -7.945 4.170 -1.628 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.022 3.853 -0.478 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.335 4.488 -1.106 1.00 0.27 C ATOM 0 H LEU A 13 -4.987 5.209 -1.872 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.517 3.926 -3.851 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -7.022 6.095 -1.836 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.235 5.748 -3.052 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.002 3.289 -2.268 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.441 3.037 0.110 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.047 3.558 -0.865 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.910 4.735 0.153 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.693 3.659 -0.495 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.298 5.394 -0.502 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.013 4.639 -1.946 1.00 0.27 H new ATOM 214 N SER A 14 -5.611 7.024 -4.500 1.00 0.29 N ATOM 215 CA SER A 14 -5.449 7.999 -5.576 1.00 0.33 C ATOM 216 C SER A 14 -4.760 7.351 -6.776 1.00 0.37 C ATOM 217 O SER A 14 -5.156 7.547 -7.927 1.00 0.42 O ATOM 218 CB SER A 14 -4.612 9.186 -5.088 1.00 0.33 C ATOM 219 OG SER A 14 -5.110 9.701 -3.864 1.00 1.05 O ATOM 0 H SER A 14 -5.163 7.290 -3.623 1.00 0.29 H new ATOM 0 HA SER A 14 -6.436 8.352 -5.876 1.00 0.33 H new ATOM 0 HB2 SER A 14 -3.576 8.874 -4.959 1.00 0.33 H new ATOM 0 HB3 SER A 14 -4.616 9.971 -5.844 1.00 0.33 H new ATOM 0 HG SER A 14 -4.805 9.136 -3.123 1.00 1.05 H new ATOM 225 N TYR A 15 -3.745 6.552 -6.478 1.00 0.37 N ATOM 226 CA TYR A 15 -2.946 5.877 -7.489 1.00 0.45 C ATOM 227 C TYR A 15 -3.771 4.818 -8.228 1.00 0.43 C ATOM 228 O TYR A 15 -3.403 4.380 -9.316 1.00 0.55 O ATOM 229 CB TYR A 15 -1.725 5.242 -6.812 1.00 0.52 C ATOM 230 CG TYR A 15 -0.634 4.789 -7.759 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.063 5.675 -8.663 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.196 3.470 -7.766 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.917 5.262 -9.543 1.00 0.89 C ATOM 234 CE2 TYR A 15 0.781 3.049 -8.646 1.00 1.06 C ATOM 235 CZ TYR A 15 1.403 3.963 -9.460 1.00 1.03 C ATOM 236 OH TYR A 15 2.303 3.531 -10.415 1.00 1.22 O ATOM 0 H TYR A 15 -3.452 6.353 -5.522 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.615 6.604 -8.231 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.302 5.961 -6.111 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.057 4.384 -6.227 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.391 6.704 -8.678 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -0.627 2.763 -7.072 1.00 0.89 H new ATOM 0 HE1 TYR A 15 1.302 5.942 -10.289 1.00 0.89 H new ATOM 0 HE2 TYR A 15 1.055 2.005 -8.694 1.00 1.06 H new ATOM 0 HH TYR A 15 2.557 2.603 -10.229 1.00 1.22 H new ATOM 246 N LYS A 16 -4.895 4.416 -7.638 1.00 0.33 N ATOM 247 CA LYS A 16 -5.741 3.385 -8.233 1.00 0.33 C ATOM 248 C LYS A 16 -6.697 4.014 -9.217 1.00 0.33 C ATOM 249 O LYS A 16 -6.836 3.569 -10.346 1.00 0.42 O ATOM 250 CB LYS A 16 -6.529 2.636 -7.158 1.00 0.34 C ATOM 251 CG LYS A 16 -5.675 2.000 -6.065 1.00 0.61 C ATOM 252 CD LYS A 16 -4.664 0.993 -6.606 1.00 0.57 C ATOM 253 CE LYS A 16 -3.396 1.675 -7.102 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.349 0.704 -7.493 1.00 1.41 N ATOM 0 H LYS A 16 -5.239 4.787 -6.752 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.099 2.672 -8.750 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.232 3.328 -6.694 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.120 1.856 -7.638 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.145 2.784 -5.524 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.326 1.502 -5.347 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.410 0.277 -5.824 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.115 0.427 -7.421 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -3.637 2.308 -7.956 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.008 2.328 -6.320 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -1.626 1.185 -8.066 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -1.907 0.308 -6.639 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -2.778 -0.064 -8.049 1.00 1.41 H new ATOM 268 N LEU A 17 -7.347 5.059 -8.766 1.00 0.33 N ATOM 269 CA LEU A 17 -8.270 5.826 -9.585 1.00 0.32 C ATOM 270 C LEU A 17 -7.572 6.402 -10.814 1.00 0.35 C ATOM 271 O LEU A 17 -8.189 6.605 -11.860 1.00 0.36 O ATOM 272 CB LEU A 17 -8.842 6.921 -8.712 1.00 0.35 C ATOM 273 CG LEU A 17 -9.452 6.373 -7.432 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.518 7.427 -6.354 1.00 1.35 C ATOM 275 CD2 LEU A 17 -10.818 5.788 -7.721 1.00 1.15 C ATOM 0 H LEU A 17 -7.253 5.409 -7.812 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.068 5.185 -9.960 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.055 7.633 -8.462 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.602 7.469 -9.270 1.00 0.35 H new ATOM 0 HG LEU A 17 -8.808 5.578 -7.055 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -9.959 7.000 -5.454 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.512 7.783 -6.131 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.130 8.261 -6.697 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.249 5.397 -6.799 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -11.468 6.564 -8.125 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -10.722 4.981 -8.447 1.00 1.15 H new ATOM 287 N SER A 18 -6.277 6.643 -10.672 1.00 0.41 N ATOM 288 CA SER A 18 -5.446 7.137 -11.764 1.00 0.48 C ATOM 289 C SER A 18 -5.500 6.205 -12.985 1.00 0.51 C ATOM 290 O SER A 18 -5.639 6.669 -14.118 1.00 0.58 O ATOM 291 CB SER A 18 -4.002 7.295 -11.276 1.00 0.57 C ATOM 292 OG SER A 18 -3.168 7.852 -12.279 1.00 0.94 O ATOM 0 H SER A 18 -5.771 6.502 -9.797 1.00 0.41 H new ATOM 0 HA SER A 18 -5.834 8.106 -12.078 1.00 0.48 H new ATOM 0 HB2 SER A 18 -3.984 7.933 -10.392 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.611 6.323 -10.976 1.00 0.57 H new ATOM 0 HG SER A 18 -2.255 7.940 -11.934 1.00 0.94 H new ATOM 298 N GLN A 19 -5.418 4.892 -12.759 1.00 0.52 N ATOM 299 CA GLN A 19 -5.426 3.926 -13.861 1.00 0.57 C ATOM 300 C GLN A 19 -6.841 3.655 -14.359 1.00 0.51 C ATOM 301 O GLN A 19 -7.052 2.837 -15.252 1.00 0.59 O ATOM 302 CB GLN A 19 -4.758 2.617 -13.453 1.00 0.68 C ATOM 303 CG GLN A 19 -5.330 2.015 -12.206 1.00 0.84 C ATOM 304 CD GLN A 19 -4.605 0.761 -11.781 1.00 0.97 C ATOM 305 OE1 GLN A 19 -3.405 0.600 -12.007 1.00 1.37 O ATOM 306 NE2 GLN A 19 -5.337 -0.133 -11.167 1.00 1.19 N ATOM 0 H GLN A 19 -5.346 4.475 -11.831 1.00 0.52 H new ATOM 0 HA GLN A 19 -4.855 4.370 -14.677 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -4.853 1.901 -14.269 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -3.692 2.793 -13.306 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -5.285 2.747 -11.400 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -6.383 1.784 -12.368 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -6.328 0.045 -11.002 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -4.917 -1.008 -10.853 1.00 1.19 H new ATOM 315 N LYS A 20 -7.800 4.340 -13.770 1.00 0.45 N ATOM 316 CA LYS A 20 -9.199 4.198 -14.154 1.00 0.49 C ATOM 317 C LYS A 20 -9.631 5.433 -14.903 1.00 0.48 C ATOM 318 O LYS A 20 -10.526 5.402 -15.748 1.00 0.53 O ATOM 319 CB LYS A 20 -10.067 4.019 -12.913 1.00 0.57 C ATOM 320 CG LYS A 20 -9.415 3.163 -11.857 1.00 0.49 C ATOM 321 CD LYS A 20 -9.123 1.769 -12.379 1.00 1.20 C ATOM 322 CE LYS A 20 -10.390 1.107 -12.891 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.118 -0.201 -13.541 1.00 2.20 N ATOM 0 H LYS A 20 -7.639 5.008 -13.016 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.313 3.321 -14.791 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.294 4.998 -12.491 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.017 3.569 -13.202 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -8.488 3.632 -11.528 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.066 3.098 -10.985 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -8.386 1.823 -13.181 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -8.686 1.163 -11.585 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.082 0.961 -12.062 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -10.881 1.769 -13.604 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.012 -0.615 -13.875 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -9.478 -0.061 -14.349 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -9.673 -0.844 -12.855 1.00 2.20 H new ATOM 337 N GLY A 21 -8.977 6.519 -14.560 1.00 0.45 N ATOM 338 CA GLY A 21 -9.225 7.783 -15.206 1.00 0.49 C ATOM 339 C GLY A 21 -10.088 8.679 -14.357 1.00 0.47 C ATOM 340 O GLY A 21 -10.744 9.592 -14.859 1.00 0.53 O ATOM 0 H GLY A 21 -8.264 6.550 -13.831 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.277 8.279 -15.412 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.711 7.612 -16.167 1.00 0.49 H new ATOM 344 N TYR A 22 -10.092 8.410 -13.063 1.00 0.40 N ATOM 345 CA TYR A 22 -10.845 9.212 -12.119 1.00 0.37 C ATOM 346 C TYR A 22 -9.912 9.952 -11.181 1.00 0.36 C ATOM 347 O TYR A 22 -8.738 9.599 -11.048 1.00 0.38 O ATOM 348 CB TYR A 22 -11.808 8.345 -11.314 1.00 0.34 C ATOM 349 CG TYR A 22 -12.990 7.861 -12.123 1.00 0.38 C ATOM 350 CD1 TYR A 22 -12.892 6.722 -12.909 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.204 8.536 -12.095 1.00 0.50 C ATOM 352 CE1 TYR A 22 -13.967 6.268 -13.645 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.285 8.086 -12.828 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.166 6.993 -13.618 1.00 0.62 C ATOM 355 OH TYR A 22 -16.233 6.500 -14.336 1.00 0.76 O ATOM 0 H TYR A 22 -9.578 7.636 -12.641 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.424 9.940 -12.688 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.269 7.484 -10.919 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.170 8.914 -10.458 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -11.958 6.181 -12.945 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.304 9.426 -11.491 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -13.886 5.366 -14.234 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.229 8.608 -12.771 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.002 7.098 -14.231 1.00 0.76 H new ATOM 365 N SER A 23 -10.433 10.979 -10.539 1.00 0.37 N ATOM 366 CA SER A 23 -9.651 11.766 -9.622 1.00 0.39 C ATOM 367 C SER A 23 -9.981 11.389 -8.195 1.00 0.35 C ATOM 368 O SER A 23 -11.125 11.065 -7.872 1.00 0.34 O ATOM 369 CB SER A 23 -9.943 13.243 -9.831 1.00 0.45 C ATOM 370 OG SER A 23 -8.917 14.058 -9.290 1.00 0.52 O ATOM 0 H SER A 23 -11.401 11.285 -10.640 1.00 0.37 H new ATOM 0 HA SER A 23 -8.595 11.571 -9.809 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.047 13.447 -10.897 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.895 13.496 -9.364 1.00 0.45 H new ATOM 0 HG SER A 23 -9.134 15.001 -9.442 1.00 0.52 H new ATOM 376 N TRP A 24 -8.980 11.449 -7.346 1.00 0.37 N ATOM 377 CA TRP A 24 -9.179 11.231 -5.936 1.00 0.36 C ATOM 378 C TRP A 24 -9.839 12.456 -5.330 1.00 0.35 C ATOM 379 O TRP A 24 -10.876 12.359 -4.682 1.00 0.34 O ATOM 380 CB TRP A 24 -7.846 10.952 -5.242 1.00 0.45 C ATOM 381 CG TRP A 24 -7.940 10.993 -3.750 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.583 12.026 -2.934 1.00 0.96 C ATOM 383 CD2 TRP A 24 -8.430 9.959 -2.897 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.829 11.698 -1.624 1.00 0.61 N ATOM 385 CE2 TRP A 24 -8.346 10.432 -1.577 1.00 1.10 C ATOM 386 CE3 TRP A 24 -8.931 8.680 -3.121 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -8.749 9.667 -0.488 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -9.330 7.924 -2.039 1.00 3.36 C ATOM 389 CH2 TRP A 24 -9.237 8.420 -0.738 1.00 3.13 C ATOM 0 H TRP A 24 -8.016 11.648 -7.612 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.823 10.363 -5.796 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.481 9.972 -5.550 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.110 11.685 -5.574 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -7.168 12.965 -3.270 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.655 12.299 -0.818 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -9.006 8.287 -4.124 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -8.678 10.048 0.520 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -9.721 6.931 -2.201 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -9.559 7.803 0.088 1.00 3.13 H new ATOM 400 N SER A 25 -9.242 13.612 -5.592 1.00 0.39 N ATOM 401 CA SER A 25 -9.672 14.862 -4.990 1.00 0.44 C ATOM 402 C SER A 25 -11.124 15.196 -5.339 1.00 0.43 C ATOM 403 O SER A 25 -11.851 15.750 -4.515 1.00 0.49 O ATOM 404 CB SER A 25 -8.750 15.991 -5.439 1.00 0.53 C ATOM 405 OG SER A 25 -7.390 15.590 -5.361 1.00 1.37 O ATOM 0 H SER A 25 -8.449 13.707 -6.226 1.00 0.39 H new ATOM 0 HA SER A 25 -9.616 14.749 -3.907 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.991 16.279 -6.462 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.912 16.869 -4.814 1.00 0.53 H new ATOM 0 HG SER A 25 -6.814 16.327 -5.655 1.00 1.37 H new ATOM 411 N GLN A 26 -11.552 14.840 -6.549 1.00 0.40 N ATOM 412 CA GLN A 26 -12.916 15.133 -6.983 1.00 0.42 C ATOM 413 C GLN A 26 -13.946 14.444 -6.095 1.00 0.38 C ATOM 414 O GLN A 26 -15.062 14.932 -5.931 1.00 0.41 O ATOM 415 CB GLN A 26 -13.133 14.718 -8.433 1.00 0.47 C ATOM 416 CG GLN A 26 -12.378 15.583 -9.418 1.00 0.59 C ATOM 417 CD GLN A 26 -12.745 15.287 -10.856 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.110 14.165 -11.196 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.657 16.290 -11.709 1.00 1.10 N ATOM 0 H GLN A 26 -10.981 14.353 -7.240 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.051 16.211 -6.899 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.823 13.681 -8.558 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.198 14.762 -8.662 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.581 16.632 -9.204 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.307 15.432 -9.282 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.349 17.208 -11.387 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.897 16.148 -12.690 1.00 1.10 H new ATOM 428 N PHE A 27 -13.563 13.313 -5.526 1.00 0.35 N ATOM 429 CA PHE A 27 -14.467 12.521 -4.710 1.00 0.38 C ATOM 430 C PHE A 27 -13.928 12.351 -3.294 1.00 0.43 C ATOM 431 O PHE A 27 -14.370 11.471 -2.549 1.00 0.67 O ATOM 432 CB PHE A 27 -14.672 11.162 -5.373 1.00 0.43 C ATOM 433 CG PHE A 27 -15.381 11.261 -6.694 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.705 11.667 -6.756 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.726 10.940 -7.872 1.00 0.94 C ATOM 436 CE1 PHE A 27 -17.361 11.751 -7.970 1.00 1.16 C ATOM 437 CE2 PHE A 27 -15.377 11.021 -9.087 1.00 1.20 C ATOM 438 CZ PHE A 27 -16.688 11.463 -9.138 1.00 1.28 C ATOM 0 H PHE A 27 -12.626 12.921 -5.615 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.423 13.040 -4.633 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.703 10.685 -5.520 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.246 10.519 -4.705 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -17.229 11.920 -5.847 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.694 10.623 -7.840 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -18.400 12.042 -8.003 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.865 10.740 -9.995 1.00 1.20 H new ATOM 0 HZ PHE A 27 -17.182 11.582 -10.091 1.00 1.28 H new ATOM 448 N SER A 28 -13.003 13.216 -2.913 1.00 0.39 N ATOM 449 CA SER A 28 -12.308 13.065 -1.648 1.00 0.42 C ATOM 450 C SER A 28 -12.883 13.971 -0.569 1.00 0.58 C ATOM 451 O SER A 28 -13.858 14.689 -0.783 1.00 1.01 O ATOM 452 CB SER A 28 -10.818 13.346 -1.818 1.00 0.62 C ATOM 453 OG SER A 28 -10.568 14.736 -1.967 1.00 1.81 O ATOM 0 H SER A 28 -12.717 14.028 -3.461 1.00 0.39 H new ATOM 0 HA SER A 28 -12.448 12.033 -1.328 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.273 12.967 -0.953 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.442 12.811 -2.690 1.00 0.62 H new ATOM 0 HG SER A 28 -9.613 14.913 -1.833 1.00 1.81 H new ATOM 459 N ASP A 29 -12.267 13.891 0.597 1.00 0.63 N ATOM 460 CA ASP A 29 -12.659 14.658 1.770 1.00 0.84 C ATOM 461 C ASP A 29 -11.544 14.601 2.804 1.00 0.88 C ATOM 462 O ASP A 29 -11.366 15.522 3.604 1.00 1.03 O ATOM 463 CB ASP A 29 -13.954 14.084 2.349 1.00 1.04 C ATOM 464 CG ASP A 29 -14.159 14.417 3.816 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.645 15.528 4.113 1.00 1.85 O ATOM 466 OD2 ASP A 29 -13.828 13.578 4.675 1.00 2.31 O ATOM 0 H ASP A 29 -11.466 13.281 0.760 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.831 15.698 1.491 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.799 14.465 1.776 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.949 13.001 2.227 1.00 1.04 H new ATOM 471 N VAL A 30 -10.766 13.526 2.714 1.00 0.80 N ATOM 472 CA VAL A 30 -9.721 13.191 3.677 1.00 0.82 C ATOM 473 C VAL A 30 -8.770 14.363 3.957 1.00 0.82 C ATOM 474 O VAL A 30 -8.814 14.955 5.032 1.00 0.92 O ATOM 475 CB VAL A 30 -8.924 11.967 3.164 1.00 0.81 C ATOM 476 CG1 VAL A 30 -9.758 10.704 3.280 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.504 12.162 1.714 1.00 0.76 C ATOM 0 H VAL A 30 -10.846 12.850 1.955 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.210 12.955 4.622 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.031 11.869 3.781 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.183 9.853 2.915 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.026 10.540 4.324 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.665 10.811 2.685 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -7.946 11.289 1.376 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.390 12.289 1.092 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.875 13.048 1.634 1.00 0.76 H new ATOM 487 N GLU A 31 -7.923 14.691 2.991 1.00 0.78 N ATOM 488 CA GLU A 31 -7.005 15.811 3.110 1.00 0.83 C ATOM 489 C GLU A 31 -7.636 17.035 2.471 1.00 0.88 C ATOM 490 O GLU A 31 -7.054 18.118 2.437 1.00 0.98 O ATOM 491 CB GLU A 31 -5.664 15.485 2.443 1.00 0.93 C ATOM 492 CG GLU A 31 -5.798 14.988 1.010 1.00 1.05 C ATOM 493 CD GLU A 31 -4.464 14.897 0.293 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.836 15.949 0.053 1.00 2.46 O ATOM 495 OE2 GLU A 31 -4.032 13.766 -0.026 1.00 2.74 O ATOM 0 H GLU A 31 -7.854 14.189 2.106 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.811 16.010 4.164 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -5.038 16.377 2.452 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.149 14.728 3.034 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.271 14.006 1.013 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -6.457 15.658 0.458 1.00 1.05 H new ATOM 502 N GLU A 32 -8.843 16.835 1.968 1.00 0.87 N ATOM 503 CA GLU A 32 -9.575 17.878 1.285 1.00 0.98 C ATOM 504 C GLU A 32 -10.036 18.943 2.272 1.00 1.09 C ATOM 505 O GLU A 32 -9.757 20.129 2.104 1.00 1.24 O ATOM 506 CB GLU A 32 -10.774 17.277 0.549 1.00 0.98 C ATOM 507 CG GLU A 32 -11.703 18.319 -0.048 1.00 1.12 C ATOM 508 CD GLU A 32 -12.830 17.718 -0.854 1.00 1.20 C ATOM 509 OE1 GLU A 32 -12.543 17.015 -1.848 1.00 1.45 O ATOM 510 OE2 GLU A 32 -14.004 17.927 -0.484 1.00 1.17 O ATOM 0 H GLU A 32 -9.339 15.945 2.024 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.915 18.351 0.558 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.412 16.626 -0.247 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.339 16.652 1.241 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -12.122 18.926 0.755 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -11.126 18.989 -0.685 1.00 1.12 H new ATOM 517 N ASN A 33 -10.723 18.505 3.315 1.00 1.09 N ATOM 518 CA ASN A 33 -11.309 19.422 4.275 1.00 1.27 C ATOM 519 C ASN A 33 -10.415 19.594 5.497 1.00 1.32 C ATOM 520 O ASN A 33 -10.309 20.690 6.050 1.00 1.68 O ATOM 521 CB ASN A 33 -12.689 18.922 4.695 1.00 1.36 C ATOM 522 CG ASN A 33 -13.704 18.998 3.572 1.00 1.48 C ATOM 523 OD1 ASN A 33 -14.364 20.019 3.377 1.00 1.87 O ATOM 524 ND2 ASN A 33 -13.851 17.911 2.831 1.00 1.35 N ATOM 0 H ASN A 33 -10.888 17.519 3.517 1.00 1.09 H new ATOM 0 HA ASN A 33 -11.409 20.396 3.797 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.609 17.890 5.038 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -13.043 19.512 5.540 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -14.529 17.901 2.069 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -13.286 17.083 3.022 1.00 1.35 H new ATOM 531 N ARG A 34 -9.775 18.514 5.924 1.00 1.22 N ATOM 532 CA ARG A 34 -8.890 18.568 7.076 1.00 1.29 C ATOM 533 C ARG A 34 -7.496 18.067 6.723 1.00 1.17 C ATOM 534 O ARG A 34 -7.335 17.159 5.910 1.00 1.24 O ATOM 535 CB ARG A 34 -9.470 17.757 8.238 1.00 1.50 C ATOM 536 CG ARG A 34 -9.695 16.284 7.931 1.00 1.52 C ATOM 537 CD ARG A 34 -10.209 15.544 9.157 1.00 1.91 C ATOM 538 NE ARG A 34 -10.514 14.139 8.880 1.00 2.18 N ATOM 539 CZ ARG A 34 -10.448 13.172 9.796 1.00 2.65 C ATOM 540 NH1 ARG A 34 -10.037 13.442 11.028 1.00 2.89 N ATOM 541 NH2 ARG A 34 -10.786 11.927 9.484 1.00 3.39 N ATOM 0 H ARG A 34 -9.853 17.594 5.491 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.806 19.610 7.385 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -8.798 17.838 9.092 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -10.419 18.202 8.536 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -10.411 16.184 7.115 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -8.762 15.832 7.594 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -9.463 15.601 9.950 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -11.106 16.041 9.527 1.00 1.91 H new ATOM 0 HE ARG A 34 -10.793 13.885 7.932 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -9.769 14.394 11.279 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -9.989 12.698 11.724 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -11.099 11.705 8.539 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -10.733 11.192 10.189 1.00 3.39 H new ATOM 555 N THR A 35 -6.491 18.674 7.328 1.00 1.31 N ATOM 556 CA THR A 35 -5.114 18.266 7.114 1.00 1.39 C ATOM 557 C THR A 35 -4.497 17.756 8.408 1.00 1.34 C ATOM 558 O THR A 35 -4.297 18.506 9.366 1.00 1.55 O ATOM 559 CB THR A 35 -4.265 19.417 6.551 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.532 20.630 7.269 1.00 2.05 O ATOM 561 CG2 THR A 35 -4.543 19.622 5.071 1.00 2.25 C ATOM 0 H THR A 35 -6.603 19.455 7.974 1.00 1.31 H new ATOM 0 HA THR A 35 -5.125 17.460 6.381 1.00 1.39 H new ATOM 0 HB THR A 35 -3.215 19.153 6.673 1.00 1.82 H new ATOM 0 HG1 THR A 35 -4.551 20.443 8.231 1.00 2.05 H new ATOM 0 HG21 THR A 35 -3.930 20.442 4.696 1.00 2.25 H new ATOM 0 HG22 THR A 35 -4.302 18.710 4.526 1.00 2.25 H new ATOM 0 HG23 THR A 35 -5.597 19.862 4.929 1.00 2.25 H new ATOM 569 N GLU A 36 -4.226 16.467 8.434 1.00 1.44 N ATOM 570 CA GLU A 36 -3.693 15.818 9.618 1.00 1.68 C ATOM 571 C GLU A 36 -2.176 15.937 9.660 1.00 1.43 C ATOM 572 O GLU A 36 -1.621 16.688 10.459 1.00 1.46 O ATOM 573 CB GLU A 36 -4.116 14.350 9.635 1.00 2.17 C ATOM 574 CG GLU A 36 -5.616 14.163 9.758 1.00 2.49 C ATOM 575 CD GLU A 36 -6.145 14.598 11.109 1.00 2.96 C ATOM 576 OE1 GLU A 36 -6.364 15.811 11.301 1.00 3.34 O ATOM 577 OE2 GLU A 36 -6.348 13.731 11.986 1.00 3.30 O ATOM 0 H GLU A 36 -4.367 15.841 7.641 1.00 1.44 H new ATOM 0 HA GLU A 36 -4.094 16.314 10.502 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -3.770 13.868 8.721 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -3.624 13.846 10.467 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -6.116 14.733 8.975 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -5.863 13.114 9.595 1.00 2.49 H new ATOM 584 N ALA A 37 -1.518 15.203 8.784 1.00 1.50 N ATOM 585 CA ALA A 37 -0.068 15.215 8.702 1.00 1.39 C ATOM 586 C ALA A 37 0.387 16.110 7.554 1.00 1.27 C ATOM 587 O ALA A 37 -0.441 16.594 6.778 1.00 1.58 O ATOM 588 CB ALA A 37 0.438 13.793 8.510 1.00 1.92 C ATOM 0 H ALA A 37 -1.970 14.584 8.111 1.00 1.50 H new ATOM 0 HA ALA A 37 0.346 15.616 9.628 1.00 1.39 H new ATOM 0 HB1 ALA A 37 1.526 13.799 8.448 1.00 1.92 H new ATOM 0 HB2 ALA A 37 0.126 13.179 9.355 1.00 1.92 H new ATOM 0 HB3 ALA A 37 0.025 13.381 7.589 1.00 1.92 H new ATOM 594 N PRO A 38 1.701 16.382 7.456 1.00 1.10 N ATOM 595 CA PRO A 38 2.292 17.054 6.290 1.00 1.43 C ATOM 596 C PRO A 38 1.923 16.349 4.984 1.00 1.79 C ATOM 597 O PRO A 38 1.365 15.252 5.000 1.00 1.87 O ATOM 598 CB PRO A 38 3.801 16.960 6.559 1.00 1.34 C ATOM 599 CG PRO A 38 3.905 16.884 8.040 1.00 1.26 C ATOM 600 CD PRO A 38 2.710 16.096 8.492 1.00 1.01 C ATOM 0 HA PRO A 38 1.937 18.078 6.170 1.00 1.43 H new ATOM 0 HB2 PRO A 38 4.236 16.081 6.084 1.00 1.34 H new ATOM 0 HB3 PRO A 38 4.330 17.829 6.167 1.00 1.34 H new ATOM 0 HG2 PRO A 38 4.832 16.397 8.343 1.00 1.26 H new ATOM 0 HG3 PRO A 38 3.908 17.880 8.484 1.00 1.26 H new ATOM 0 HD2 PRO A 38 2.931 15.031 8.554 1.00 1.01 H new ATOM 0 HD3 PRO A 38 2.372 16.410 9.480 1.00 1.01 H new ATOM 608 N GLU A 39 2.232 16.969 3.851 1.00 2.28 N ATOM 609 CA GLU A 39 1.903 16.378 2.556 1.00 2.76 C ATOM 610 C GLU A 39 2.809 15.185 2.252 1.00 2.66 C ATOM 611 O GLU A 39 2.699 14.563 1.193 1.00 3.08 O ATOM 612 CB GLU A 39 2.007 17.416 1.435 1.00 3.38 C ATOM 613 CG GLU A 39 3.415 17.933 1.206 1.00 3.52 C ATOM 614 CD GLU A 39 3.500 18.887 0.035 1.00 4.22 C ATOM 615 OE1 GLU A 39 3.315 20.105 0.237 1.00 4.44 O ATOM 616 OE2 GLU A 39 3.742 18.421 -1.097 1.00 4.64 O ATOM 0 H GLU A 39 2.705 17.871 3.800 1.00 2.28 H new ATOM 0 HA GLU A 39 0.872 16.027 2.608 1.00 2.76 H new ATOM 0 HB2 GLU A 39 1.637 16.975 0.509 1.00 3.38 H new ATOM 0 HB3 GLU A 39 1.355 18.257 1.670 1.00 3.38 H new ATOM 0 HG2 GLU A 39 3.764 18.437 2.107 1.00 3.52 H new ATOM 0 HG3 GLU A 39 4.084 17.090 1.033 1.00 3.52 H new ATOM 623 N GLY A 40 3.704 14.884 3.185 1.00 2.15 N ATOM 624 CA GLY A 40 4.574 13.739 3.054 1.00 2.04 C ATOM 625 C GLY A 40 5.806 13.869 3.923 1.00 1.57 C ATOM 626 O GLY A 40 6.912 14.056 3.412 1.00 1.75 O ATOM 0 H GLY A 40 3.841 15.423 4.040 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.030 12.835 3.328 1.00 2.04 H new ATOM 0 HA3 GLY A 40 4.874 13.627 2.012 1.00 2.04 H new ATOM 630 N THR A 41 5.628 13.774 5.238 1.00 1.12 N ATOM 631 CA THR A 41 6.748 13.932 6.154 1.00 0.86 C ATOM 632 C THR A 41 7.647 12.686 6.135 1.00 0.75 C ATOM 633 O THR A 41 8.750 12.721 5.583 1.00 0.85 O ATOM 634 CB THR A 41 6.274 14.259 7.596 1.00 0.80 C ATOM 635 OG1 THR A 41 7.322 14.015 8.541 1.00 0.95 O ATOM 636 CG2 THR A 41 5.034 13.471 7.986 1.00 0.91 C ATOM 0 H THR A 41 4.730 13.591 5.686 1.00 1.12 H new ATOM 0 HA THR A 41 7.336 14.783 5.810 1.00 0.86 H new ATOM 0 HB THR A 41 6.014 15.317 7.610 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.005 14.228 9.443 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.741 13.734 9.002 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.221 13.710 7.301 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.250 12.404 7.935 1.00 0.91 H new ATOM 644 N GLU A 42 7.185 11.588 6.724 1.00 0.69 N ATOM 645 CA GLU A 42 7.874 10.320 6.638 1.00 0.66 C ATOM 646 C GLU A 42 7.343 9.535 5.454 1.00 0.54 C ATOM 647 O GLU A 42 8.078 8.830 4.763 1.00 0.56 O ATOM 648 CB GLU A 42 7.652 9.526 7.928 1.00 0.74 C ATOM 649 CG GLU A 42 6.202 9.102 8.173 1.00 0.65 C ATOM 650 CD GLU A 42 5.243 10.255 8.271 1.00 1.20 C ATOM 651 OE1 GLU A 42 4.702 10.666 7.228 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.024 10.753 9.388 1.00 1.17 O ATOM 0 H GLU A 42 6.325 11.559 7.271 1.00 0.69 H new ATOM 0 HA GLU A 42 8.942 10.495 6.505 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.278 8.634 7.903 1.00 0.74 H new ATOM 0 HB3 GLU A 42 7.988 10.128 8.772 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.884 8.444 7.364 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.153 8.521 9.094 1.00 0.65 H new ATOM 659 N SER A 43 6.048 9.699 5.231 1.00 0.48 N ATOM 660 CA SER A 43 5.294 8.913 4.282 1.00 0.43 C ATOM 661 C SER A 43 5.887 8.930 2.895 1.00 0.43 C ATOM 662 O SER A 43 5.855 7.919 2.227 1.00 0.49 O ATOM 663 CB SER A 43 3.867 9.423 4.207 1.00 0.50 C ATOM 664 OG SER A 43 3.846 10.820 3.979 1.00 1.25 O ATOM 0 H SER A 43 5.486 10.398 5.717 1.00 0.48 H new ATOM 0 HA SER A 43 5.323 7.885 4.642 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.334 8.911 3.406 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.344 9.193 5.135 1.00 0.50 H new ATOM 0 HG SER A 43 3.701 11.288 4.828 1.00 1.25 H new ATOM 670 N GLU A 44 6.427 10.069 2.481 1.00 0.46 N ATOM 671 CA GLU A 44 6.868 10.271 1.099 1.00 0.52 C ATOM 672 C GLU A 44 7.614 9.054 0.531 1.00 0.51 C ATOM 673 O GLU A 44 7.412 8.680 -0.618 1.00 0.58 O ATOM 674 CB GLU A 44 7.754 11.515 1.015 1.00 0.61 C ATOM 675 CG GLU A 44 8.261 11.814 -0.384 1.00 0.72 C ATOM 676 CD GLU A 44 7.149 12.150 -1.355 1.00 1.17 C ATOM 677 OE1 GLU A 44 6.613 13.274 -1.289 1.00 1.29 O ATOM 678 OE2 GLU A 44 6.803 11.284 -2.188 1.00 1.91 O ATOM 0 H GLU A 44 6.573 10.877 3.086 1.00 0.46 H new ATOM 0 HA GLU A 44 5.974 10.408 0.491 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.192 12.375 1.379 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.607 11.387 1.681 1.00 0.61 H new ATOM 0 HG2 GLU A 44 8.962 12.647 -0.340 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.814 10.952 -0.757 1.00 0.72 H new ATOM 685 N ALA A 45 8.462 8.426 1.334 1.00 0.48 N ATOM 686 CA ALA A 45 9.186 7.242 0.879 1.00 0.48 C ATOM 687 C ALA A 45 8.381 5.966 1.118 1.00 0.41 C ATOM 688 O ALA A 45 8.413 5.046 0.304 1.00 0.41 O ATOM 689 CB ALA A 45 10.542 7.153 1.559 1.00 0.52 C ATOM 0 H ALA A 45 8.666 8.710 2.292 1.00 0.48 H new ATOM 0 HA ALA A 45 9.339 7.340 -0.196 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.067 6.265 1.208 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.128 8.040 1.319 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.404 7.090 2.638 1.00 0.52 H new ATOM 695 N VAL A 46 7.646 5.917 2.225 1.00 0.37 N ATOM 696 CA VAL A 46 6.874 4.725 2.576 1.00 0.34 C ATOM 697 C VAL A 46 5.650 4.570 1.666 1.00 0.34 C ATOM 698 O VAL A 46 5.300 3.457 1.279 1.00 0.39 O ATOM 699 CB VAL A 46 6.463 4.706 4.080 1.00 0.49 C ATOM 700 CG1 VAL A 46 6.951 5.939 4.808 1.00 1.41 C ATOM 701 CG2 VAL A 46 4.966 4.570 4.273 1.00 1.13 C ATOM 0 H VAL A 46 7.567 6.684 2.893 1.00 0.37 H new ATOM 0 HA VAL A 46 7.527 3.867 2.416 1.00 0.34 H new ATOM 0 HB VAL A 46 6.943 3.825 4.505 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.645 5.889 5.853 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.038 5.989 4.750 1.00 1.41 H new ATOM 0 HG13 VAL A 46 6.522 6.828 4.346 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.736 4.562 5.338 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.460 5.411 3.799 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.624 3.639 3.821 1.00 1.13 H new ATOM 711 N LYS A 47 5.021 5.686 1.304 1.00 0.34 N ATOM 712 CA LYS A 47 3.905 5.664 0.370 1.00 0.36 C ATOM 713 C LYS A 47 4.416 5.248 -1.005 1.00 0.39 C ATOM 714 O LYS A 47 3.786 4.459 -1.711 1.00 0.43 O ATOM 715 CB LYS A 47 3.207 7.026 0.297 1.00 0.38 C ATOM 716 CG LYS A 47 4.138 8.165 -0.053 1.00 0.49 C ATOM 717 CD LYS A 47 3.406 9.469 -0.259 1.00 0.47 C ATOM 718 CE LYS A 47 2.714 9.895 1.006 1.00 0.47 C ATOM 719 NZ LYS A 47 2.319 11.327 0.976 1.00 0.67 N ATOM 0 H LYS A 47 5.267 6.615 1.645 1.00 0.34 H new ATOM 0 HA LYS A 47 3.167 4.943 0.721 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.411 6.977 -0.446 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.735 7.235 1.257 1.00 0.38 H new ATOM 0 HG2 LYS A 47 4.873 8.287 0.743 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.689 7.914 -0.960 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.109 10.241 -0.573 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.675 9.359 -1.060 1.00 0.47 H new ATOM 0 HE2 LYS A 47 1.828 9.279 1.158 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.374 9.720 1.856 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.280 11.697 1.947 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.017 11.868 0.427 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.383 11.420 0.533 1.00 0.67 H new ATOM 733 N GLN A 48 5.593 5.767 -1.357 1.00 0.40 N ATOM 734 CA GLN A 48 6.259 5.407 -2.599 1.00 0.46 C ATOM 735 C GLN A 48 6.622 3.932 -2.613 1.00 0.45 C ATOM 736 O GLN A 48 6.592 3.298 -3.656 1.00 0.50 O ATOM 737 CB GLN A 48 7.524 6.240 -2.801 1.00 0.52 C ATOM 738 CG GLN A 48 7.299 7.565 -3.513 1.00 0.58 C ATOM 739 CD GLN A 48 6.594 7.441 -4.853 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.774 6.321 -5.532 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 5.891 8.356 -5.277 1.00 0.63 N flip ATOM 0 H GLN A 48 6.104 6.444 -0.790 1.00 0.40 H new ATOM 0 HA GLN A 48 5.563 5.611 -3.413 1.00 0.46 H new ATOM 0 HB2 GLN A 48 7.974 6.437 -1.828 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.243 5.653 -3.372 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.713 8.217 -2.866 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.263 8.051 -3.666 1.00 0.58 H new ATOM 0 HE21 GLN A 48 5.774 9.207 -4.726 1.00 0.63 H new ATOM 0 HE22 GLN A 48 5.425 8.265 -6.179 1.00 0.63 H new ATOM 750 N ALA A 49 6.971 3.392 -1.457 1.00 0.42 N ATOM 751 CA ALA A 49 7.309 1.981 -1.348 1.00 0.41 C ATOM 752 C ALA A 49 6.060 1.113 -1.466 1.00 0.39 C ATOM 753 O ALA A 49 6.076 0.055 -2.095 1.00 0.42 O ATOM 754 CB ALA A 49 8.015 1.707 -0.033 1.00 0.42 C ATOM 0 H ALA A 49 7.028 3.909 -0.580 1.00 0.42 H new ATOM 0 HA ALA A 49 7.981 1.728 -2.168 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.261 0.647 0.034 1.00 0.42 H new ATOM 0 HB2 ALA A 49 8.931 2.296 0.018 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.361 1.980 0.795 1.00 0.42 H new ATOM 760 N LEU A 50 4.972 1.592 -0.881 1.00 0.38 N ATOM 761 CA LEU A 50 3.734 0.827 -0.802 1.00 0.40 C ATOM 762 C LEU A 50 3.056 0.672 -2.159 1.00 0.41 C ATOM 763 O LEU A 50 2.311 -0.282 -2.371 1.00 0.43 O ATOM 764 CB LEU A 50 2.768 1.483 0.183 1.00 0.45 C ATOM 765 CG LEU A 50 2.421 0.631 1.402 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.674 0.287 2.186 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.426 1.351 2.293 1.00 1.20 C ATOM 0 H LEU A 50 4.921 2.515 -0.450 1.00 0.38 H new ATOM 0 HA LEU A 50 4.000 -0.170 -0.452 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.202 2.422 0.525 1.00 0.45 H new ATOM 0 HB3 LEU A 50 1.847 1.731 -0.344 1.00 0.45 H new ATOM 0 HG LEU A 50 1.965 -0.295 1.051 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.407 -0.320 3.051 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.360 -0.271 1.549 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.156 1.205 2.522 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.192 0.727 3.156 1.00 1.20 H new ATOM 0 HD22 LEU A 50 1.857 2.293 2.633 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.513 1.551 1.732 1.00 1.20 H new ATOM 779 N ARG A 51 3.328 1.575 -3.090 1.00 0.44 N ATOM 780 CA ARG A 51 2.646 1.535 -4.376 1.00 0.50 C ATOM 781 C ARG A 51 3.375 0.577 -5.292 1.00 0.52 C ATOM 782 O ARG A 51 2.807 0.006 -6.222 1.00 0.59 O ATOM 783 CB ARG A 51 2.582 2.929 -4.994 1.00 0.53 C ATOM 784 CG ARG A 51 3.894 3.676 -4.899 1.00 0.52 C ATOM 785 CD ARG A 51 3.902 4.914 -5.764 1.00 0.73 C ATOM 786 NE ARG A 51 2.844 5.860 -5.405 1.00 1.21 N ATOM 787 CZ ARG A 51 2.500 6.924 -6.138 1.00 1.63 C ATOM 788 NH1 ARG A 51 3.123 7.184 -7.284 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.548 7.742 -5.705 1.00 2.17 N ATOM 0 H ARG A 51 4.004 2.332 -2.983 1.00 0.44 H new ATOM 0 HA ARG A 51 1.623 1.188 -4.233 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.293 2.844 -6.042 1.00 0.53 H new ATOM 0 HB3 ARG A 51 1.804 3.507 -4.495 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.077 3.957 -3.862 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.709 3.018 -5.200 1.00 0.52 H new ATOM 0 HD2 ARG A 51 4.870 5.407 -5.677 1.00 0.73 H new ATOM 0 HD3 ARG A 51 3.785 4.624 -6.808 1.00 0.73 H new ATOM 0 HE ARG A 51 2.335 5.696 -4.537 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.869 6.570 -7.610 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.854 7.998 -7.837 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.082 7.558 -4.816 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.282 8.555 -6.261 1.00 2.17 H new ATOM 803 N GLU A 52 4.648 0.417 -5.003 1.00 0.49 N ATOM 804 CA GLU A 52 5.503 -0.509 -5.713 1.00 0.54 C ATOM 805 C GLU A 52 5.252 -1.934 -5.230 1.00 0.53 C ATOM 806 O GLU A 52 5.124 -2.859 -6.031 1.00 0.58 O ATOM 807 CB GLU A 52 6.948 -0.099 -5.477 1.00 0.59 C ATOM 808 CG GLU A 52 7.154 1.392 -5.667 1.00 0.63 C ATOM 809 CD GLU A 52 6.967 1.831 -7.103 1.00 0.87 C ATOM 810 OE1 GLU A 52 7.880 1.607 -7.921 1.00 1.10 O ATOM 811 OE2 GLU A 52 5.900 2.396 -7.418 1.00 1.07 O ATOM 0 H GLU A 52 5.123 0.931 -4.261 1.00 0.49 H new ATOM 0 HA GLU A 52 5.287 -0.482 -6.781 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.244 -0.380 -4.466 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.596 -0.645 -6.162 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.454 1.935 -5.032 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.158 1.660 -5.337 1.00 0.63 H new ATOM 818 N ALA A 53 5.175 -2.098 -3.913 1.00 0.49 N ATOM 819 CA ALA A 53 4.830 -3.385 -3.323 1.00 0.48 C ATOM 820 C ALA A 53 3.397 -3.755 -3.675 1.00 0.49 C ATOM 821 O ALA A 53 3.099 -4.910 -3.981 1.00 0.53 O ATOM 822 CB ALA A 53 5.010 -3.344 -1.812 1.00 0.45 C ATOM 0 H ALA A 53 5.347 -1.356 -3.235 1.00 0.49 H new ATOM 0 HA ALA A 53 5.498 -4.144 -3.729 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.748 -4.313 -1.388 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.049 -3.113 -1.575 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.362 -2.576 -1.389 1.00 0.45 H new ATOM 828 N GLY A 54 2.517 -2.760 -3.636 1.00 0.49 N ATOM 829 CA GLY A 54 1.127 -2.975 -3.980 1.00 0.53 C ATOM 830 C GLY A 54 0.964 -3.463 -5.398 1.00 0.60 C ATOM 831 O GLY A 54 0.179 -4.369 -5.656 1.00 0.70 O ATOM 0 H GLY A 54 2.746 -1.802 -3.370 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.692 -3.702 -3.294 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.574 -2.045 -3.851 1.00 0.53 H new ATOM 835 N ASP A 55 1.743 -2.883 -6.306 1.00 0.61 N ATOM 836 CA ASP A 55 1.694 -3.239 -7.724 1.00 0.69 C ATOM 837 C ASP A 55 1.908 -4.736 -7.913 1.00 0.70 C ATOM 838 O ASP A 55 1.305 -5.356 -8.786 1.00 0.79 O ATOM 839 CB ASP A 55 2.763 -2.455 -8.490 1.00 0.73 C ATOM 840 CG ASP A 55 2.685 -2.654 -9.990 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.947 -1.900 -10.660 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.337 -3.585 -10.508 1.00 0.82 O ATOM 0 H ASP A 55 2.423 -2.156 -6.083 1.00 0.61 H new ATOM 0 HA ASP A 55 0.709 -2.983 -8.114 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.658 -1.394 -8.264 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.749 -2.760 -8.140 1.00 0.73 H new ATOM 847 N GLU A 56 2.759 -5.300 -7.064 1.00 0.66 N ATOM 848 CA GLU A 56 3.080 -6.725 -7.079 1.00 0.74 C ATOM 849 C GLU A 56 1.931 -7.574 -6.535 1.00 0.77 C ATOM 850 O GLU A 56 1.829 -8.762 -6.832 1.00 0.88 O ATOM 851 CB GLU A 56 4.347 -6.981 -6.267 1.00 0.79 C ATOM 852 CG GLU A 56 5.599 -6.409 -6.905 1.00 1.24 C ATOM 853 CD GLU A 56 6.000 -7.150 -8.164 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.576 -8.255 -8.054 1.00 1.43 O ATOM 855 OE2 GLU A 56 5.732 -6.634 -9.269 1.00 2.29 O ATOM 0 H GLU A 56 3.251 -4.778 -6.339 1.00 0.66 H new ATOM 0 HA GLU A 56 3.243 -7.017 -8.116 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.226 -6.550 -5.273 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.474 -8.056 -6.135 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.434 -5.358 -7.143 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.419 -6.448 -6.188 1.00 1.24 H new ATOM 862 N PHE A 57 1.111 -6.990 -5.687 1.00 0.71 N ATOM 863 CA PHE A 57 -0.045 -7.697 -5.152 1.00 0.75 C ATOM 864 C PHE A 57 -1.240 -7.636 -6.110 1.00 0.78 C ATOM 865 O PHE A 57 -2.010 -8.593 -6.215 1.00 0.91 O ATOM 866 CB PHE A 57 -0.436 -7.138 -3.779 1.00 0.76 C ATOM 867 CG PHE A 57 -1.568 -7.895 -3.138 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.400 -9.205 -2.723 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.797 -7.287 -2.942 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.437 -9.896 -2.125 1.00 1.79 C ATOM 871 CE2 PHE A 57 -3.838 -7.972 -2.345 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.661 -9.304 -1.972 1.00 2.20 C ATOM 0 H PHE A 57 1.218 -6.033 -5.352 1.00 0.71 H new ATOM 0 HA PHE A 57 0.239 -8.743 -5.038 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.432 -7.166 -3.120 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.721 -6.091 -3.886 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.447 -9.693 -2.868 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.943 -6.265 -3.260 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.281 -10.906 -1.777 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -4.783 -7.479 -2.168 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.488 -9.867 -1.564 1.00 2.20 H new ATOM 882 N GLU A 58 -1.365 -6.527 -6.833 1.00 0.73 N ATOM 883 CA GLU A 58 -2.588 -6.211 -7.577 1.00 0.82 C ATOM 884 C GLU A 58 -2.843 -7.179 -8.716 1.00 0.82 C ATOM 885 O GLU A 58 -3.914 -7.772 -8.806 1.00 0.89 O ATOM 886 CB GLU A 58 -2.517 -4.799 -8.136 1.00 0.86 C ATOM 887 CG GLU A 58 -2.292 -3.753 -7.073 1.00 0.91 C ATOM 888 CD GLU A 58 -2.233 -2.359 -7.641 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.293 -1.715 -7.773 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.120 -1.889 -7.955 1.00 1.24 O ATOM 0 H GLU A 58 -0.630 -5.825 -6.922 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.413 -6.298 -6.870 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.711 -4.744 -8.868 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.444 -4.577 -8.665 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.094 -3.809 -6.337 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.362 -3.968 -6.547 1.00 0.91 H new ATOM 897 N LEU A 59 -1.848 -7.329 -9.575 1.00 0.81 N ATOM 898 CA LEU A 59 -1.954 -8.171 -10.762 1.00 0.87 C ATOM 899 C LEU A 59 -2.399 -9.578 -10.388 1.00 0.85 C ATOM 900 O LEU A 59 -3.169 -10.207 -11.108 1.00 0.96 O ATOM 901 CB LEU A 59 -0.604 -8.240 -11.481 1.00 0.96 C ATOM 902 CG LEU A 59 0.498 -8.968 -10.709 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.731 -9.146 -11.549 1.00 1.54 C ATOM 904 CD2 LEU A 59 0.872 -8.224 -9.461 1.00 1.46 C ATOM 0 H LEU A 59 -0.942 -6.871 -9.472 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.698 -7.730 -11.425 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.745 -8.737 -12.441 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.269 -7.225 -11.694 1.00 0.96 H new ATOM 0 HG LEU A 59 0.097 -9.946 -10.443 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.494 -9.667 -10.970 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.486 -9.731 -12.435 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.109 -8.170 -11.852 1.00 1.54 H new ATOM 0 HD21 LEU A 59 1.657 -8.767 -8.935 1.00 1.46 H new ATOM 0 HD22 LEU A 59 1.232 -7.230 -9.724 1.00 1.46 H new ATOM 0 HD23 LEU A 59 -0.002 -8.134 -8.815 1.00 1.46 H new ATOM 916 N ARG A 60 -1.914 -10.047 -9.243 1.00 0.83 N ATOM 917 CA ARG A 60 -2.219 -11.382 -8.754 1.00 0.90 C ATOM 918 C ARG A 60 -3.726 -11.636 -8.705 1.00 0.98 C ATOM 919 O ARG A 60 -4.221 -12.587 -9.309 1.00 1.15 O ATOM 920 CB ARG A 60 -1.600 -11.587 -7.371 1.00 1.03 C ATOM 921 CG ARG A 60 -0.083 -11.621 -7.400 1.00 1.00 C ATOM 922 CD ARG A 60 0.514 -11.771 -6.011 1.00 1.07 C ATOM 923 NE ARG A 60 1.946 -12.059 -6.079 1.00 1.41 N ATOM 924 CZ ARG A 60 2.866 -11.496 -5.296 1.00 1.94 C ATOM 925 NH1 ARG A 60 2.516 -10.600 -4.382 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.143 -11.823 -5.441 1.00 2.58 N ATOM 0 H ARG A 60 -1.299 -9.511 -8.630 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.788 -12.100 -9.452 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.927 -10.785 -6.710 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.971 -12.520 -6.948 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.248 -12.449 -8.027 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.291 -10.705 -7.857 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.351 -10.856 -5.442 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.004 -12.573 -5.478 1.00 1.07 H new ATOM 0 HE ARG A 60 2.262 -12.737 -6.773 1.00 1.41 H new ATOM 0 HH11 ARG A 60 1.536 -10.337 -4.274 1.00 2.43 H new ATOM 0 HH12 ARG A 60 3.227 -10.174 -3.787 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.418 -12.503 -6.150 1.00 2.58 H new ATOM 0 HH22 ARG A 60 4.850 -11.394 -4.844 1.00 2.58 H new ATOM 940 N TYR A 61 -4.456 -10.777 -8.003 1.00 1.04 N ATOM 941 CA TYR A 61 -5.902 -10.935 -7.886 1.00 1.26 C ATOM 942 C TYR A 61 -6.630 -10.181 -8.998 1.00 1.32 C ATOM 943 O TYR A 61 -7.848 -10.267 -9.112 1.00 1.59 O ATOM 944 CB TYR A 61 -6.405 -10.474 -6.508 1.00 1.52 C ATOM 945 CG TYR A 61 -6.306 -8.984 -6.260 1.00 2.19 C ATOM 946 CD1 TYR A 61 -5.153 -8.422 -5.732 1.00 2.70 C ATOM 947 CD2 TYR A 61 -7.374 -8.139 -6.545 1.00 2.84 C ATOM 948 CE1 TYR A 61 -5.065 -7.065 -5.497 1.00 3.67 C ATOM 949 CE2 TYR A 61 -7.292 -6.781 -6.313 1.00 3.86 C ATOM 950 CZ TYR A 61 -6.135 -6.249 -5.789 1.00 4.23 C ATOM 951 OH TYR A 61 -6.047 -4.898 -5.553 1.00 5.32 O ATOM 0 H TYR A 61 -4.075 -9.970 -7.510 1.00 1.04 H new ATOM 0 HA TYR A 61 -6.123 -11.997 -7.990 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -7.446 -10.778 -6.397 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -5.837 -10.995 -5.737 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -4.310 -9.057 -5.501 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -8.283 -8.553 -6.955 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -4.160 -6.644 -5.085 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.130 -6.139 -6.541 1.00 3.86 H new ATOM 0 HH TYR A 61 -6.326 -4.407 -6.354 1.00 5.32 H new ATOM 961 N ARG A 62 -5.872 -9.448 -9.811 1.00 1.28 N ATOM 962 CA ARG A 62 -6.430 -8.627 -10.892 1.00 1.39 C ATOM 963 C ARG A 62 -7.319 -9.449 -11.822 1.00 1.07 C ATOM 964 O ARG A 62 -8.280 -8.932 -12.392 1.00 1.30 O ATOM 965 CB ARG A 62 -5.295 -7.985 -11.695 1.00 1.72 C ATOM 966 CG ARG A 62 -5.762 -7.062 -12.808 1.00 2.15 C ATOM 967 CD ARG A 62 -4.591 -6.584 -13.652 1.00 2.51 C ATOM 968 NE ARG A 62 -3.911 -7.691 -14.322 1.00 3.10 N ATOM 969 CZ ARG A 62 -2.603 -7.720 -14.583 1.00 3.59 C ATOM 970 NH1 ARG A 62 -1.822 -6.704 -14.225 1.00 3.59 N ATOM 971 NH2 ARG A 62 -2.076 -8.767 -15.203 1.00 4.48 N ATOM 0 H ARG A 62 -4.855 -9.404 -9.742 1.00 1.28 H new ATOM 0 HA ARG A 62 -7.046 -7.851 -10.438 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.658 -7.421 -11.014 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.680 -8.774 -12.127 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.480 -7.584 -13.440 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.279 -6.204 -12.379 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.948 -5.873 -14.397 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -3.881 -6.052 -13.019 1.00 2.51 H new ATOM 0 HE ARG A 62 -4.473 -8.493 -14.608 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -2.223 -5.896 -13.748 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -0.823 -6.733 -14.428 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -2.670 -9.548 -15.480 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -1.076 -8.791 -15.403 1.00 4.48 H new ATOM 985 N ARG A 63 -7.003 -10.730 -11.960 1.00 0.98 N ATOM 986 CA ARG A 63 -7.780 -11.621 -12.814 1.00 1.19 C ATOM 987 C ARG A 63 -9.187 -11.819 -12.248 1.00 1.20 C ATOM 988 O ARG A 63 -10.157 -11.946 -12.993 1.00 1.45 O ATOM 989 CB ARG A 63 -7.088 -12.984 -12.970 1.00 1.61 C ATOM 990 CG ARG A 63 -5.748 -12.930 -13.696 1.00 2.18 C ATOM 991 CD ARG A 63 -4.613 -12.502 -12.776 1.00 2.52 C ATOM 992 NE ARG A 63 -3.361 -12.291 -13.504 1.00 3.12 N ATOM 993 CZ ARG A 63 -2.147 -12.508 -12.989 1.00 3.84 C ATOM 994 NH1 ARG A 63 -2.018 -12.999 -11.762 1.00 4.07 N ATOM 995 NH2 ARG A 63 -1.063 -12.248 -13.705 1.00 4.72 N ATOM 0 H ARG A 63 -6.214 -11.176 -11.492 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.853 -11.154 -13.796 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.935 -13.415 -11.981 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -7.754 -13.656 -13.511 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -5.524 -13.911 -14.115 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -5.818 -12.235 -14.532 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -4.892 -11.582 -12.262 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -4.462 -13.263 -12.010 1.00 2.52 H new ATOM 0 HE ARG A 63 -3.419 -11.957 -14.466 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -2.848 -13.212 -11.208 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -1.089 -13.163 -11.373 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -1.153 -11.881 -14.652 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -0.138 -12.415 -13.309 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.284 -11.848 -10.927 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.560 -12.049 -10.249 1.00 1.09 C ATOM 1011 C ALA A 64 -11.247 -10.723 -9.916 1.00 1.08 C ATOM 1012 O ALA A 64 -12.471 -10.661 -9.837 1.00 1.05 O ATOM 1013 CB ALA A 64 -10.348 -12.851 -8.978 1.00 1.17 C ATOM 0 H ALA A 64 -8.489 -11.734 -10.298 1.00 1.07 H new ATOM 0 HA ALA A 64 -11.211 -12.598 -10.929 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -11.305 -12.998 -8.476 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.917 -13.820 -9.227 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.670 -12.312 -8.316 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.436 -9.677 -9.738 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.879 -8.380 -9.196 1.00 1.22 C ATOM 1021 C PHE A 65 -12.230 -7.903 -9.736 1.00 1.19 C ATOM 1022 O PHE A 65 -13.105 -7.515 -8.961 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.807 -7.314 -9.460 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.240 -5.916 -9.122 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.509 -5.557 -7.812 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -10.383 -4.963 -10.119 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.912 -4.273 -7.502 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.785 -3.678 -9.812 1.00 2.59 C ATOM 1029 CZ PHE A 65 -11.050 -3.333 -8.503 1.00 2.81 C ATOM 0 H PHE A 65 -9.442 -9.702 -9.967 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.019 -8.531 -8.126 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.916 -7.558 -8.881 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.523 -7.351 -10.512 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.403 -6.289 -7.025 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -10.178 -5.228 -11.146 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -11.119 -4.005 -6.477 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -10.892 -2.943 -10.596 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.365 -2.329 -8.262 1.00 2.81 H new ATOM 1039 N SER A 66 -12.408 -7.940 -11.048 1.00 1.20 N ATOM 1040 CA SER A 66 -13.608 -7.378 -11.661 1.00 1.24 C ATOM 1041 C SER A 66 -14.852 -8.139 -11.208 1.00 1.13 C ATOM 1042 O SER A 66 -15.868 -7.537 -10.847 1.00 1.16 O ATOM 1043 CB SER A 66 -13.491 -7.405 -13.188 1.00 1.45 C ATOM 1044 OG SER A 66 -14.562 -6.714 -13.808 1.00 2.19 O ATOM 0 H SER A 66 -11.745 -8.349 -11.706 1.00 1.20 H new ATOM 0 HA SER A 66 -13.704 -6.341 -11.338 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.545 -6.955 -13.489 1.00 1.45 H new ATOM 0 HB3 SER A 66 -13.476 -8.439 -13.534 1.00 1.45 H new ATOM 0 HG SER A 66 -14.455 -6.750 -14.781 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.753 -9.461 -11.200 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.866 -10.314 -10.811 1.00 1.08 C ATOM 1052 C ASP A 67 -16.104 -10.252 -9.308 1.00 0.97 C ATOM 1053 O ASP A 67 -17.244 -10.337 -8.848 1.00 1.01 O ATOM 1054 CB ASP A 67 -15.603 -11.762 -11.236 1.00 1.18 C ATOM 1055 CG ASP A 67 -16.769 -12.680 -10.919 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -17.698 -12.774 -11.752 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -16.767 -13.309 -9.841 1.00 2.06 O ATOM 0 H ASP A 67 -13.907 -9.968 -11.460 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.760 -9.949 -11.317 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -15.401 -11.792 -12.307 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -14.708 -12.129 -10.733 1.00 1.18 H new ATOM 1062 N LEU A 68 -15.026 -10.071 -8.543 1.00 0.89 N ATOM 1063 CA LEU A 68 -15.105 -10.102 -7.091 1.00 0.85 C ATOM 1064 C LEU A 68 -16.059 -9.057 -6.526 1.00 0.76 C ATOM 1065 O LEU A 68 -16.570 -9.242 -5.429 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.727 -9.922 -6.464 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.697 -10.992 -6.822 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.545 -10.949 -5.842 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -13.323 -12.380 -6.858 1.00 1.56 C ATOM 0 H LEU A 68 -14.090 -9.902 -8.910 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.500 -11.085 -6.834 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -13.335 -8.950 -6.764 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.840 -9.900 -5.380 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.320 -10.779 -7.822 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -10.815 -11.715 -6.104 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -11.071 -9.968 -5.880 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.918 -11.133 -4.834 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -12.561 -13.116 -7.116 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -13.740 -12.617 -5.879 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -14.116 -12.402 -7.605 1.00 1.56 H new ATOM 1081 N THR A 69 -16.324 -7.980 -7.262 1.00 0.70 N ATOM 1082 CA THR A 69 -17.238 -6.945 -6.773 1.00 0.62 C ATOM 1083 C THR A 69 -18.611 -7.528 -6.451 1.00 0.63 C ATOM 1084 O THR A 69 -19.335 -7.015 -5.598 1.00 0.60 O ATOM 1085 CB THR A 69 -17.406 -5.791 -7.779 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.635 -6.305 -9.100 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.189 -4.886 -7.774 1.00 0.63 C ATOM 0 H THR A 69 -15.927 -7.800 -8.184 1.00 0.70 H new ATOM 0 HA THR A 69 -16.787 -6.547 -5.864 1.00 0.62 H new ATOM 0 HB THR A 69 -18.272 -5.203 -7.475 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.784 -6.592 -9.491 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.333 -4.079 -8.493 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.053 -4.465 -6.778 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.306 -5.463 -8.048 1.00 0.63 H new ATOM 1095 N SER A 70 -18.943 -8.624 -7.122 1.00 0.72 N ATOM 1096 CA SER A 70 -20.189 -9.330 -6.885 1.00 0.80 C ATOM 1097 C SER A 70 -20.118 -10.080 -5.557 1.00 0.76 C ATOM 1098 O SER A 70 -21.136 -10.361 -4.924 1.00 0.76 O ATOM 1099 CB SER A 70 -20.434 -10.311 -8.030 1.00 0.96 C ATOM 1100 OG SER A 70 -21.769 -10.790 -8.038 1.00 1.34 O ATOM 0 H SER A 70 -18.356 -9.045 -7.843 1.00 0.72 H new ATOM 0 HA SER A 70 -21.011 -8.616 -6.837 1.00 0.80 H new ATOM 0 HB2 SER A 70 -20.218 -9.822 -8.980 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.747 -11.152 -7.941 1.00 0.96 H new ATOM 0 HG SER A 70 -21.888 -11.413 -8.785 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.899 -10.394 -5.145 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.661 -11.113 -3.905 1.00 0.77 C ATOM 1108 C GLN A 71 -18.557 -10.135 -2.743 1.00 0.67 C ATOM 1109 O GLN A 71 -19.064 -10.405 -1.654 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.388 -11.949 -4.004 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.357 -12.870 -5.210 1.00 0.99 C ATOM 1112 CD GLN A 71 -16.227 -13.881 -5.149 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -15.129 -13.505 -4.519 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -16.340 -14.991 -5.666 1.00 1.42 N flip ATOM 0 H GLN A 71 -18.050 -10.158 -5.660 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.502 -11.784 -3.729 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.527 -11.281 -4.045 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.285 -12.547 -3.098 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -18.308 -13.398 -5.282 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -17.255 -12.272 -6.116 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -17.204 -15.245 -6.144 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.569 -15.657 -5.617 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.895 -8.997 -2.971 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.867 -7.939 -1.976 1.00 0.55 C ATOM 1125 C LEU A 72 -19.265 -7.375 -1.787 1.00 0.47 C ATOM 1126 O LEU A 72 -19.636 -6.978 -0.687 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.946 -6.787 -2.401 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.436 -7.018 -2.322 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -15.032 -7.598 -0.974 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.939 -7.865 -3.480 1.00 1.35 C ATOM 0 H LEU A 72 -17.379 -8.793 -3.827 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.492 -8.374 -1.050 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -17.192 -6.523 -3.430 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -17.186 -5.921 -1.784 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.950 -6.046 -2.410 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.953 -7.750 -0.952 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.318 -6.908 -0.180 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.536 -8.553 -0.823 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.862 -8.008 -3.390 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -15.437 -8.835 -3.461 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -15.161 -7.361 -4.421 1.00 1.35 H new ATOM 1142 N HIS A 73 -20.043 -7.372 -2.867 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.357 -6.737 -2.868 1.00 0.48 C ATOM 1144 C HIS A 73 -21.146 -5.238 -2.707 1.00 0.43 C ATOM 1145 O HIS A 73 -21.807 -4.565 -1.913 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.255 -7.314 -1.760 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.688 -6.877 -1.833 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -24.569 -7.351 -2.778 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -24.395 -6.012 -1.067 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -25.752 -6.798 -2.594 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -25.675 -5.981 -1.562 1.00 2.62 N ATOM 0 H HIS A 73 -19.785 -7.804 -3.754 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.874 -6.935 -3.807 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -22.217 -8.402 -1.808 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -21.848 -7.023 -0.791 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -24.021 -5.451 -0.223 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -26.635 -6.983 -3.188 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -26.441 -5.418 -1.192 1.00 2.62 H new ATOM 1160 N ILE A 74 -20.171 -4.751 -3.464 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.779 -3.353 -3.474 1.00 0.41 C ATOM 1162 C ILE A 74 -20.976 -2.439 -3.684 1.00 0.49 C ATOM 1163 O ILE A 74 -21.661 -2.498 -4.708 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.727 -3.132 -4.572 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.506 -3.989 -4.265 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.334 -1.671 -4.674 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.718 -3.501 -3.067 1.00 0.39 C ATOM 0 H ILE A 74 -19.622 -5.330 -4.099 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.351 -3.103 -2.503 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.153 -3.423 -5.532 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.827 -5.015 -4.087 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.854 -4.006 -5.138 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.589 -1.549 -5.460 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.214 -1.073 -4.912 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.917 -1.339 -3.723 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.862 -4.156 -2.903 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.368 -2.485 -3.251 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.356 -3.511 -2.183 1.00 0.39 H new ATOM 1179 N THR A 75 -21.215 -1.607 -2.693 1.00 0.38 N ATOM 1180 CA THR A 75 -22.409 -0.802 -2.621 1.00 0.40 C ATOM 1181 C THR A 75 -22.120 0.362 -1.649 1.00 0.37 C ATOM 1182 O THR A 75 -20.952 0.561 -1.308 1.00 0.34 O ATOM 1183 CB THR A 75 -23.583 -1.721 -2.157 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.827 -1.316 -2.740 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.713 -1.761 -0.640 1.00 0.46 C ATOM 0 H THR A 75 -20.578 -1.471 -1.908 1.00 0.38 H new ATOM 0 HA THR A 75 -22.697 -0.372 -3.580 1.00 0.40 H new ATOM 0 HB THR A 75 -23.343 -2.726 -2.504 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.542 -1.911 -2.432 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.542 -2.412 -0.363 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.790 -2.144 -0.206 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.900 -0.755 -0.264 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.128 1.188 -1.262 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.061 2.133 -0.139 1.00 0.37 C ATOM 1195 C PRO A 76 -22.125 1.730 1.013 1.00 0.35 C ATOM 1196 O PRO A 76 -21.707 0.579 1.119 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.513 2.166 0.348 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.350 1.650 -0.786 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.417 1.354 -1.929 1.00 0.44 C ATOM 0 HA PRO A 76 -22.646 3.086 -0.465 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.639 1.548 1.237 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.809 3.179 0.620 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.890 0.751 -0.488 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.097 2.388 -1.080 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.712 0.454 -2.469 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.395 2.168 -2.654 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.839 2.724 1.868 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.852 2.652 2.962 1.00 0.37 C ATOM 1209 C GLY A 77 -20.596 1.289 3.603 1.00 0.38 C ATOM 1210 O GLY A 77 -19.492 1.044 4.096 1.00 0.40 O ATOM 0 H GLY A 77 -22.303 3.631 1.817 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.902 3.026 2.581 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.172 3.336 3.747 1.00 0.37 H new ATOM 1214 N THR A 78 -21.579 0.404 3.604 1.00 0.40 N ATOM 1215 CA THR A 78 -21.427 -0.910 4.208 1.00 0.42 C ATOM 1216 C THR A 78 -20.461 -1.805 3.427 1.00 0.38 C ATOM 1217 O THR A 78 -20.290 -2.981 3.750 1.00 0.40 O ATOM 1218 CB THR A 78 -22.788 -1.605 4.339 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.469 -1.606 3.074 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.628 -0.886 5.375 1.00 0.56 C ATOM 0 H THR A 78 -22.496 0.573 3.191 1.00 0.40 H new ATOM 0 HA THR A 78 -21.001 -0.752 5.199 1.00 0.42 H new ATOM 0 HB THR A 78 -22.631 -2.637 4.653 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.336 -2.054 3.169 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.595 -1.381 5.467 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.116 -0.908 6.337 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.778 0.149 5.067 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.803 -1.235 2.424 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.777 -1.940 1.675 1.00 0.31 C ATOM 1230 C ALA A 79 -17.554 -2.177 2.553 1.00 0.30 C ATOM 1231 O ALA A 79 -16.657 -2.942 2.204 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.400 -1.159 0.428 1.00 0.32 C ATOM 0 H ALA A 79 -19.966 -0.278 2.111 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.172 -2.907 1.365 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.630 -1.701 -0.122 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.279 -1.036 -0.204 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.019 -0.178 0.714 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.528 -1.516 3.704 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.470 -1.733 4.680 1.00 0.36 C ATOM 1240 C TYR A 80 -16.713 -3.041 5.416 1.00 0.36 C ATOM 1241 O TYR A 80 -15.809 -3.602 6.023 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.382 -0.564 5.665 1.00 0.44 C ATOM 1243 CG TYR A 80 -15.231 -0.684 6.641 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -13.915 -0.620 6.200 1.00 1.69 C ATOM 1245 CD2 TYR A 80 -15.460 -0.869 7.999 1.00 2.21 C ATOM 1246 CE1 TYR A 80 -12.859 -0.735 7.085 1.00 2.52 C ATOM 1247 CE2 TYR A 80 -14.410 -0.984 8.890 1.00 3.13 C ATOM 1248 CZ TYR A 80 -13.111 -0.916 8.428 1.00 3.12 C ATOM 1249 OH TYR A 80 -12.063 -1.025 9.311 1.00 4.13 O ATOM 0 H TYR A 80 -18.226 -0.827 3.983 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.517 -1.793 4.155 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.278 0.366 5.105 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.316 -0.498 6.223 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.714 -0.478 5.148 1.00 1.69 H new ATOM 0 HD2 TYR A 80 -16.475 -0.924 8.364 1.00 2.21 H new ATOM 0 HE1 TYR A 80 -11.842 -0.683 6.726 1.00 2.52 H new ATOM 0 HE2 TYR A 80 -14.605 -1.126 9.943 1.00 3.13 H new ATOM 0 HH TYR A 80 -12.411 -1.148 10.219 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.943 -3.531 5.342 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.272 -4.841 5.882 1.00 0.41 C ATOM 1261 C GLN A 81 -17.937 -5.906 4.855 1.00 0.41 C ATOM 1262 O GLN A 81 -17.677 -7.063 5.180 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.741 -4.908 6.290 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.994 -4.370 7.687 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.469 -4.250 8.010 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.087 -5.192 8.506 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.038 -3.085 7.746 1.00 0.79 N ATOM 0 H GLN A 81 -18.728 -3.041 4.913 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.679 -5.019 6.779 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.337 -4.341 5.575 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -20.080 -5.943 6.238 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.519 -5.027 8.416 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.524 -3.391 7.785 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.488 -2.331 7.335 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.026 -2.941 7.954 1.00 0.79 H new ATOM 1276 N SER A 82 -17.923 -5.481 3.614 1.00 0.39 N ATOM 1277 CA SER A 82 -17.440 -6.298 2.520 1.00 0.41 C ATOM 1278 C SER A 82 -15.928 -6.423 2.618 1.00 0.41 C ATOM 1279 O SER A 82 -15.374 -7.524 2.589 1.00 0.48 O ATOM 1280 CB SER A 82 -17.822 -5.645 1.200 1.00 0.41 C ATOM 1281 OG SER A 82 -19.187 -5.268 1.210 1.00 0.43 O ATOM 0 H SER A 82 -18.247 -4.556 3.331 1.00 0.39 H new ATOM 0 HA SER A 82 -17.887 -7.291 2.572 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.198 -4.768 1.027 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.636 -6.336 0.378 1.00 0.41 H new ATOM 0 HG SER A 82 -19.674 -5.786 0.536 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.273 -5.277 2.760 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.835 -5.226 2.956 1.00 0.37 C ATOM 1289 C PHE A 83 -13.469 -5.808 4.317 1.00 0.38 C ATOM 1290 O PHE A 83 -12.327 -6.187 4.550 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.330 -3.782 2.838 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.837 -3.651 2.977 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.991 -4.102 1.976 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.284 -3.065 4.104 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.621 -3.971 2.099 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.915 -2.933 4.232 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.080 -3.429 3.239 1.00 1.18 C ATOM 0 H PHE A 83 -15.724 -4.362 2.742 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.355 -5.823 2.181 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.633 -3.378 1.872 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.812 -3.174 3.603 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.407 -4.560 1.091 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.931 -2.707 4.892 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.974 -4.295 1.297 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.496 -2.446 5.100 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.008 -3.389 3.363 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.451 -5.887 5.207 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.237 -6.428 6.543 1.00 0.48 C ATOM 1309 C GLU A 84 -13.756 -7.847 6.452 1.00 0.52 C ATOM 1310 O GLU A 84 -12.757 -8.225 7.049 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.526 -6.431 7.338 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.348 -6.943 8.748 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.588 -6.788 9.596 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.501 -7.629 9.476 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.656 -5.832 10.392 1.00 0.80 O ATOM 0 H GLU A 84 -15.407 -5.582 5.026 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.497 -5.799 7.037 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.927 -5.418 7.373 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.263 -7.048 6.823 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -15.068 -7.996 8.713 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.523 -6.410 9.220 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.516 -8.616 5.703 1.00 0.57 N ATOM 1323 CA GLN A 85 -14.214 -10.012 5.428 1.00 0.65 C ATOM 1324 C GLN A 85 -12.770 -10.177 5.017 1.00 0.64 C ATOM 1325 O GLN A 85 -12.112 -11.151 5.367 1.00 0.71 O ATOM 1326 CB GLN A 85 -15.126 -10.486 4.312 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.558 -10.129 4.595 1.00 0.79 C ATOM 1328 CD GLN A 85 -17.183 -11.008 5.659 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.850 -12.185 5.784 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.079 -10.438 6.445 1.00 1.62 N ATOM 0 H GLN A 85 -15.374 -8.289 5.260 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.376 -10.604 6.329 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.816 -10.036 3.369 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -15.033 -11.566 4.196 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.612 -9.088 4.913 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -17.137 -10.212 3.675 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.328 -9.458 6.308 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.522 -10.978 7.189 1.00 1.62 H new ATOM 1339 N VAL A 86 -12.287 -9.180 4.307 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.958 -9.205 3.750 1.00 0.62 C ATOM 1341 C VAL A 86 -9.932 -8.699 4.758 1.00 0.55 C ATOM 1342 O VAL A 86 -8.908 -9.319 4.993 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.854 -8.316 2.517 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.772 -8.867 1.633 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -12.181 -8.218 1.789 1.00 1.30 C ATOM 0 H VAL A 86 -12.809 -8.328 4.101 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.757 -10.243 3.485 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.598 -7.299 2.815 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.679 -8.246 0.742 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.826 -8.869 2.174 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -10.025 -9.886 1.340 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -12.070 -7.576 0.915 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -12.496 -9.212 1.472 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.932 -7.795 2.456 1.00 1.30 H new ATOM 1355 N VAL A 87 -10.204 -7.552 5.351 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.283 -6.966 6.314 1.00 0.51 C ATOM 1357 C VAL A 87 -9.143 -7.899 7.512 1.00 0.56 C ATOM 1358 O VAL A 87 -8.153 -7.881 8.238 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.770 -5.570 6.765 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.979 -5.666 7.684 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.651 -4.792 7.427 1.00 0.85 C ATOM 0 H VAL A 87 -11.050 -7.007 5.186 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.309 -6.839 5.841 1.00 0.51 H new ATOM 0 HB VAL A 87 -10.079 -5.029 5.870 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.292 -4.665 7.980 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.796 -6.161 7.160 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.716 -6.241 8.572 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -9.020 -3.814 7.735 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.296 -5.337 8.302 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.830 -4.664 6.722 1.00 0.85 H new ATOM 1371 N ASN A 88 -10.157 -8.729 7.676 1.00 0.61 N ATOM 1372 CA ASN A 88 -10.167 -9.775 8.676 1.00 0.71 C ATOM 1373 C ASN A 88 -9.199 -10.892 8.312 1.00 0.78 C ATOM 1374 O ASN A 88 -8.331 -11.243 9.104 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.579 -10.324 8.822 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.283 -9.761 10.039 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.220 -10.336 11.121 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.958 -8.635 9.872 1.00 0.73 N ATOM 0 H ASN A 88 -11.005 -8.693 7.111 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.842 -9.352 9.626 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -12.155 -10.086 7.928 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.540 -11.411 8.896 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.451 -8.214 10.660 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.986 -8.188 8.956 1.00 0.73 H new ATOM 1385 N GLU A 89 -9.318 -11.416 7.092 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.493 -12.533 6.647 1.00 0.84 C ATOM 1387 C GLU A 89 -7.066 -12.081 6.528 1.00 0.82 C ATOM 1388 O GLU A 89 -6.128 -12.798 6.877 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.968 -13.049 5.294 1.00 0.87 C ATOM 1390 CG GLU A 89 -9.379 -11.962 4.357 1.00 1.25 C ATOM 1391 CD GLU A 89 -8.797 -12.061 2.991 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -9.329 -12.846 2.165 1.00 2.87 O ATOM 1393 OE2 GLU A 89 -7.817 -11.348 2.729 1.00 2.58 O ATOM 0 H GLU A 89 -9.982 -11.081 6.393 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.573 -13.338 7.378 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -8.170 -13.632 4.835 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.809 -13.725 5.446 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -10.466 -11.965 4.274 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.095 -11.003 4.789 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.932 -10.861 6.057 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.650 -10.263 5.837 1.00 0.64 C ATOM 1402 C LEU A 90 -4.872 -10.110 7.145 1.00 0.70 C ATOM 1403 O LEU A 90 -3.642 -10.065 7.149 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.845 -8.904 5.185 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.994 -8.936 3.671 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -6.412 -7.579 3.181 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -4.695 -9.346 3.005 1.00 1.28 C ATOM 0 H LEU A 90 -7.719 -10.259 5.817 1.00 0.69 H new ATOM 0 HA LEU A 90 -5.069 -10.913 5.183 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.731 -8.436 5.613 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.995 -8.270 5.439 1.00 0.56 H new ATOM 0 HG LEU A 90 -6.755 -9.672 3.413 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -6.519 -7.601 2.096 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -7.365 -7.306 3.634 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.656 -6.844 3.456 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.829 -9.361 1.923 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -3.913 -8.633 3.264 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -4.408 -10.340 3.348 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.606 -10.040 8.254 1.00 0.73 N ATOM 1420 CA PHE A 91 -5.026 -9.694 9.542 1.00 0.82 C ATOM 1421 C PHE A 91 -4.995 -10.874 10.506 1.00 0.91 C ATOM 1422 O PHE A 91 -4.012 -11.082 11.215 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.792 -8.503 10.144 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.106 -8.613 11.614 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -5.169 -8.228 12.563 1.00 1.26 C ATOM 1426 CD2 PHE A 91 -7.327 -9.105 12.048 1.00 1.70 C ATOM 1427 CE1 PHE A 91 -5.446 -8.330 13.911 1.00 1.75 C ATOM 1428 CE2 PHE A 91 -7.607 -9.208 13.397 1.00 2.30 C ATOM 1429 CZ PHE A 91 -6.702 -8.813 14.322 1.00 2.23 C ATOM 0 H PHE A 91 -6.610 -10.220 8.282 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.986 -9.411 9.378 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -5.208 -7.597 9.981 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -6.728 -8.381 9.598 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -4.212 -7.844 12.243 1.00 1.26 H new ATOM 0 HD2 PHE A 91 -8.067 -9.411 11.324 1.00 1.70 H new ATOM 0 HE1 PHE A 91 -4.706 -8.042 14.643 1.00 1.75 H new ATOM 0 HE2 PHE A 91 -8.558 -9.608 13.716 1.00 2.30 H new ATOM 0 HZ PHE A 91 -6.943 -8.868 15.373 1.00 2.23 H new ATOM 1439 N ARG A 92 -6.058 -11.652 10.514 1.00 0.96 N ATOM 1440 CA ARG A 92 -6.230 -12.696 11.515 1.00 1.11 C ATOM 1441 C ARG A 92 -5.204 -13.802 11.323 1.00 0.83 C ATOM 1442 O ARG A 92 -4.781 -14.455 12.277 1.00 0.90 O ATOM 1443 CB ARG A 92 -7.639 -13.277 11.424 1.00 1.53 C ATOM 1444 CG ARG A 92 -7.795 -14.322 10.333 1.00 1.62 C ATOM 1445 CD ARG A 92 -9.042 -14.092 9.505 1.00 2.21 C ATOM 1446 NE ARG A 92 -10.269 -14.439 10.217 1.00 3.27 N ATOM 1447 CZ ARG A 92 -11.449 -14.631 9.621 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -11.556 -14.542 8.297 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -12.520 -14.916 10.351 1.00 5.06 N ATOM 0 H ARG A 92 -6.820 -11.584 9.839 1.00 0.96 H new ATOM 0 HA ARG A 92 -6.083 -12.255 12.501 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -7.902 -13.723 12.383 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -8.346 -12.467 11.244 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.920 -14.303 9.684 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -7.836 -15.314 10.783 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -9.085 -13.045 9.206 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.979 -14.682 8.591 1.00 2.21 H new ATOM 0 HE ARG A 92 -10.222 -14.541 11.231 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.734 -14.326 7.732 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -12.460 -14.690 7.847 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -12.441 -14.988 11.365 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -13.422 -15.063 9.898 1.00 5.06 H new ATOM 1463 N ASP A 93 -4.802 -13.990 10.081 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.953 -15.107 9.719 1.00 1.10 C ATOM 1465 C ASP A 93 -2.485 -14.726 9.611 1.00 1.31 C ATOM 1466 O ASP A 93 -1.706 -15.485 9.030 1.00 1.88 O ATOM 1467 CB ASP A 93 -4.419 -15.728 8.398 1.00 1.65 C ATOM 1468 CG ASP A 93 -5.387 -16.878 8.601 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -4.943 -17.986 8.971 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -6.605 -16.675 8.394 1.00 3.12 O ATOM 0 H ASP A 93 -5.052 -13.380 9.303 1.00 0.84 H new ATOM 0 HA ASP A 93 -4.042 -15.835 10.526 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.896 -14.960 7.789 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.551 -16.083 7.842 1.00 1.65 H new ATOM 1475 N GLY A 94 -2.068 -13.587 10.168 1.00 1.11 N ATOM 1476 CA GLY A 94 -0.654 -13.294 10.093 1.00 1.69 C ATOM 1477 C GLY A 94 -0.291 -11.943 9.507 1.00 1.62 C ATOM 1478 O GLY A 94 0.178 -11.890 8.373 1.00 2.31 O ATOM 0 H GLY A 94 -2.652 -12.899 10.644 1.00 1.11 H new ATOM 0 HA2 GLY A 94 -0.235 -13.358 11.097 1.00 1.69 H new ATOM 0 HA3 GLY A 94 -0.173 -14.069 9.497 1.00 1.69 H new ATOM 1482 N VAL A 95 -0.530 -10.845 10.221 1.00 0.85 N ATOM 1483 CA VAL A 95 -0.127 -9.539 9.700 1.00 0.67 C ATOM 1484 C VAL A 95 1.382 -9.389 9.738 1.00 0.62 C ATOM 1485 O VAL A 95 1.988 -9.205 10.789 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.737 -8.352 10.479 1.00 0.59 C ATOM 1487 CG1 VAL A 95 -0.285 -7.025 9.877 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -2.245 -8.431 10.514 1.00 1.06 C ATOM 0 H VAL A 95 -0.986 -10.829 11.133 1.00 0.85 H new ATOM 0 HA VAL A 95 -0.502 -9.509 8.677 1.00 0.67 H new ATOM 0 HB VAL A 95 -0.376 -8.410 11.506 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -0.725 -6.202 10.439 1.00 0.84 H new ATOM 0 HG12 VAL A 95 0.802 -6.956 9.923 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.608 -6.968 8.838 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -2.641 -7.581 11.070 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -2.634 -8.412 9.496 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -2.550 -9.357 11.002 1.00 1.06 H new ATOM 1498 N ASN A 96 1.983 -9.543 8.576 1.00 0.76 N ATOM 1499 CA ASN A 96 3.424 -9.460 8.438 1.00 0.86 C ATOM 1500 C ASN A 96 3.803 -8.224 7.638 1.00 0.72 C ATOM 1501 O ASN A 96 2.945 -7.407 7.299 1.00 0.62 O ATOM 1502 CB ASN A 96 3.972 -10.716 7.749 1.00 1.17 C ATOM 1503 CG ASN A 96 3.304 -11.989 8.235 1.00 1.47 C ATOM 1504 OD1 ASN A 96 2.807 -11.969 9.462 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 3.221 -12.974 7.505 1.00 1.67 N flip ATOM 0 H ASN A 96 1.489 -9.729 7.703 1.00 0.76 H new ATOM 0 HA ASN A 96 3.862 -9.389 9.434 1.00 0.86 H new ATOM 0 HB2 ASN A 96 3.831 -10.625 6.672 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.045 -10.783 7.926 1.00 1.17 H new ATOM 0 HD21 ASN A 96 3.618 -12.948 6.566 1.00 1.67 H new ATOM 0 HD22 ASN A 96 2.755 -13.818 7.838 1.00 1.67 H new ATOM 1512 N TRP A 97 5.085 -8.126 7.316 1.00 0.77 N ATOM 1513 CA TRP A 97 5.637 -7.006 6.559 1.00 0.72 C ATOM 1514 C TRP A 97 4.849 -6.747 5.269 1.00 0.63 C ATOM 1515 O TRP A 97 4.444 -5.619 4.991 1.00 0.59 O ATOM 1516 CB TRP A 97 7.103 -7.323 6.238 1.00 0.86 C ATOM 1517 CG TRP A 97 7.891 -6.183 5.674 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.559 -5.221 6.378 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.118 -5.903 4.291 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.187 -4.357 5.515 1.00 0.99 N ATOM 1521 CE2 TRP A 97 8.928 -4.755 4.226 1.00 1.60 C ATOM 1522 CE3 TRP A 97 7.713 -6.512 3.101 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 9.340 -4.206 3.016 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 8.122 -5.965 1.901 1.00 3.24 C ATOM 1525 CH2 TRP A 97 8.929 -4.822 1.868 1.00 3.34 C ATOM 0 H TRP A 97 5.780 -8.827 7.574 1.00 0.77 H new ATOM 0 HA TRP A 97 5.565 -6.099 7.159 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.592 -7.666 7.150 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.133 -8.151 5.529 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.589 -5.151 7.455 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.752 -3.553 5.786 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.091 -7.395 3.119 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 9.963 -3.324 2.985 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 7.815 -6.426 0.974 1.00 3.24 H new ATOM 0 HH2 TRP A 97 9.234 -4.418 0.914 1.00 3.34 H new ATOM 1536 N GLY A 98 4.613 -7.803 4.496 1.00 0.69 N ATOM 1537 CA GLY A 98 3.972 -7.648 3.200 1.00 0.69 C ATOM 1538 C GLY A 98 2.451 -7.653 3.256 1.00 0.62 C ATOM 1539 O GLY A 98 1.796 -7.266 2.288 1.00 0.61 O ATOM 0 H GLY A 98 4.854 -8.763 4.743 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.306 -6.712 2.751 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.304 -8.453 2.544 1.00 0.69 H new ATOM 1543 N ARG A 99 1.880 -8.082 4.378 1.00 0.65 N ATOM 1544 CA ARG A 99 0.424 -8.189 4.503 1.00 0.67 C ATOM 1545 C ARG A 99 -0.240 -6.832 4.405 1.00 0.53 C ATOM 1546 O ARG A 99 -1.238 -6.668 3.708 1.00 0.55 O ATOM 1547 CB ARG A 99 0.031 -8.830 5.830 1.00 0.82 C ATOM 1548 CG ARG A 99 0.015 -10.344 5.801 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.100 -10.869 4.912 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.178 -12.327 4.948 1.00 2.48 N ATOM 1551 CZ ARG A 99 -2.100 -13.040 4.308 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -3.029 -12.431 3.579 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -2.100 -14.362 4.399 1.00 4.24 N ATOM 0 H ARG A 99 2.398 -8.361 5.212 1.00 0.65 H new ATOM 0 HA ARG A 99 0.084 -8.817 3.680 1.00 0.67 H new ATOM 0 HB2 ARG A 99 0.726 -8.499 6.602 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -0.958 -8.472 6.116 1.00 0.82 H new ATOM 0 HG2 ARG A 99 0.975 -10.713 5.440 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -0.113 -10.728 6.813 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.052 -10.446 5.233 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -0.934 -10.539 3.887 1.00 1.50 H new ATOM 0 HE ARG A 99 -0.482 -12.830 5.498 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.036 -11.413 3.509 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.735 -12.981 3.089 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -1.392 -14.835 4.961 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -2.808 -14.907 3.907 1.00 4.24 H new ATOM 1567 N ILE A 100 0.330 -5.868 5.105 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.248 -4.540 5.215 1.00 0.36 C ATOM 1569 C ILE A 100 -0.388 -3.874 3.847 1.00 0.33 C ATOM 1570 O ILE A 100 -1.312 -3.096 3.610 1.00 0.34 O ATOM 1571 CB ILE A 100 0.597 -3.690 6.176 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.539 -4.330 7.564 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.112 -2.254 6.210 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.333 -3.604 8.618 1.00 0.34 C ATOM 0 H ILE A 100 1.207 -5.983 5.613 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.256 -4.628 5.621 1.00 0.36 H new ATOM 0 HB ILE A 100 1.630 -3.662 5.830 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.502 -4.383 7.883 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.903 -5.355 7.494 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.730 -1.678 6.899 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.182 -1.822 5.212 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.925 -2.228 6.544 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.236 -4.126 9.570 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.383 -3.574 8.326 1.00 0.34 H new ATOM 0 HD13 ILE A 100 0.956 -2.587 8.722 1.00 0.34 H new ATOM 1586 N VAL A 101 0.520 -4.216 2.948 1.00 0.33 N ATOM 1587 CA VAL A 101 0.424 -3.806 1.555 1.00 0.35 C ATOM 1588 C VAL A 101 -0.899 -4.265 0.957 1.00 0.37 C ATOM 1589 O VAL A 101 -1.661 -3.463 0.415 1.00 0.45 O ATOM 1590 CB VAL A 101 1.566 -4.417 0.728 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.552 -3.884 -0.692 1.00 1.35 C ATOM 1592 CG2 VAL A 101 2.892 -4.155 1.403 1.00 1.32 C ATOM 0 H VAL A 101 1.341 -4.783 3.161 1.00 0.33 H new ATOM 0 HA VAL A 101 0.490 -2.718 1.526 1.00 0.35 H new ATOM 0 HB VAL A 101 1.419 -5.496 0.671 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.370 -4.332 -1.257 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.603 -4.136 -1.166 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.673 -2.801 -0.675 1.00 1.35 H new ATOM 0 HG21 VAL A 101 3.695 -4.592 0.809 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.049 -3.080 1.491 1.00 1.32 H new ATOM 0 HG23 VAL A 101 2.890 -4.604 2.396 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.151 -5.566 1.066 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.363 -6.184 0.524 1.00 0.39 C ATOM 1604 C ALA A 102 -3.625 -5.476 1.004 1.00 0.35 C ATOM 1605 O ALA A 102 -4.558 -5.274 0.223 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.421 -7.656 0.898 1.00 0.44 C ATOM 0 H ALA A 102 -0.524 -6.223 1.531 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.318 -6.088 -0.561 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.328 -8.100 0.488 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.549 -8.169 0.492 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.427 -7.756 1.983 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.646 -5.100 2.285 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.762 -4.359 2.856 1.00 0.34 C ATOM 1614 C PHE A 103 -5.102 -3.152 1.990 1.00 0.31 C ATOM 1615 O PHE A 103 -6.224 -3.008 1.506 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.416 -3.863 4.260 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.395 -4.905 5.343 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -3.269 -5.680 5.547 1.00 1.03 C ATOM 1619 CD2 PHE A 103 -5.509 -5.137 6.125 1.00 0.67 C ATOM 1620 CE1 PHE A 103 -3.254 -6.663 6.518 1.00 1.48 C ATOM 1621 CE2 PHE A 103 -5.505 -6.121 7.094 1.00 1.09 C ATOM 1622 CZ PHE A 103 -4.335 -6.774 7.395 1.00 1.49 C ATOM 0 H PHE A 103 -2.896 -5.300 2.946 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.617 -5.034 2.903 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -3.437 -3.386 4.224 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -5.135 -3.093 4.539 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -2.391 -5.515 4.940 1.00 1.03 H new ATOM 0 HD2 PHE A 103 -6.397 -4.540 5.977 1.00 0.67 H new ATOM 0 HE1 PHE A 103 -2.415 -7.338 6.598 1.00 1.48 H new ATOM 0 HE2 PHE A 103 -6.418 -6.376 7.613 1.00 1.09 H new ATOM 0 HZ PHE A 103 -4.252 -7.364 8.296 1.00 1.49 H new ATOM 1632 N PHE A 104 -4.107 -2.303 1.777 1.00 0.33 N ATOM 1633 CA PHE A 104 -4.308 -1.053 1.063 1.00 0.40 C ATOM 1634 C PHE A 104 -4.441 -1.290 -0.432 1.00 0.39 C ATOM 1635 O PHE A 104 -5.092 -0.517 -1.129 1.00 0.47 O ATOM 1636 CB PHE A 104 -3.160 -0.085 1.347 1.00 0.56 C ATOM 1637 CG PHE A 104 -2.930 0.137 2.813 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -3.996 0.328 3.671 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -1.644 0.163 3.332 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -3.789 0.539 5.018 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -1.430 0.377 4.676 1.00 2.61 C ATOM 1642 CZ PHE A 104 -2.510 0.531 5.526 1.00 3.29 C ATOM 0 H PHE A 104 -3.149 -2.459 2.090 1.00 0.33 H new ATOM 0 HA PHE A 104 -5.238 -0.609 1.419 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -2.246 -0.471 0.896 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -3.372 0.871 0.869 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -5.003 0.312 3.282 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.800 0.014 2.675 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -4.630 0.710 5.674 1.00 2.90 H new ATOM 0 HE2 PHE A 104 -0.423 0.424 5.064 1.00 2.61 H new ATOM 0 HZ PHE A 104 -2.350 0.645 6.588 1.00 3.29 H new ATOM 1652 N SER A 105 -3.832 -2.363 -0.918 1.00 0.37 N ATOM 1653 CA SER A 105 -3.921 -2.710 -2.328 1.00 0.44 C ATOM 1654 C SER A 105 -5.366 -3.009 -2.713 1.00 0.40 C ATOM 1655 O SER A 105 -5.869 -2.505 -3.716 1.00 0.45 O ATOM 1656 CB SER A 105 -3.024 -3.907 -2.643 1.00 0.50 C ATOM 1657 OG SER A 105 -1.676 -3.636 -2.299 1.00 1.19 O ATOM 0 H SER A 105 -3.273 -3.006 -0.358 1.00 0.37 H new ATOM 0 HA SER A 105 -3.577 -1.859 -2.915 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.374 -4.782 -2.096 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.091 -4.147 -3.704 1.00 0.50 H new ATOM 0 HG SER A 105 -1.612 -3.464 -1.336 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.039 -3.805 -1.892 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.422 -4.162 -2.160 1.00 0.37 C ATOM 1665 C PHE A 106 -8.358 -3.044 -1.713 1.00 0.31 C ATOM 1666 O PHE A 106 -9.393 -2.818 -2.322 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.779 -5.479 -1.472 1.00 0.46 C ATOM 1668 CG PHE A 106 -9.112 -6.033 -1.884 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -9.285 -6.585 -3.142 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -10.190 -6.001 -1.017 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -10.508 -7.095 -3.529 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.416 -6.509 -1.397 1.00 2.53 C ATOM 1673 CZ PHE A 106 -11.574 -7.057 -2.655 1.00 2.89 C ATOM 0 H PHE A 106 -5.651 -4.212 -1.041 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.543 -4.297 -3.235 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -7.006 -6.215 -1.692 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.776 -5.327 -0.393 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -8.452 -6.617 -3.829 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -10.071 -5.574 -0.032 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -10.630 -7.522 -4.513 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -12.250 -6.478 -0.712 1.00 2.53 H new ATOM 0 HZ PHE A 106 -12.532 -7.456 -2.954 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.980 -2.335 -0.657 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.766 -1.200 -0.208 1.00 0.28 C ATOM 1685 C GLY A 107 -8.764 -0.076 -1.221 1.00 0.24 C ATOM 1686 O GLY A 107 -9.788 0.562 -1.462 1.00 0.27 O ATOM 0 H GLY A 107 -7.144 -2.525 -0.103 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.791 -1.519 -0.022 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.369 -0.836 0.739 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.604 0.163 -1.821 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.509 1.139 -2.884 1.00 0.22 C ATOM 1692 C GLY A 108 -8.261 0.683 -4.111 1.00 0.22 C ATOM 1693 O GLY A 108 -8.795 1.493 -4.868 1.00 0.23 O ATOM 0 H GLY A 108 -6.727 -0.304 -1.588 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.910 2.093 -2.542 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.462 1.305 -3.137 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.306 -0.627 -4.298 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.059 -1.220 -5.384 1.00 0.26 C ATOM 1699 C ALA A 109 -10.550 -1.117 -5.101 1.00 0.27 C ATOM 1700 O ALA A 109 -11.350 -0.947 -6.018 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.648 -2.671 -5.584 1.00 0.29 C ATOM 0 H ALA A 109 -7.824 -1.302 -3.704 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.842 -0.675 -6.303 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.223 -3.102 -6.403 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.585 -2.719 -5.822 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.841 -3.233 -4.670 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.909 -1.185 -3.820 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.299 -1.098 -3.407 1.00 0.28 C ATOM 1709 C LEU A 110 -12.849 0.274 -3.719 1.00 0.24 C ATOM 1710 O LEU A 110 -14.023 0.443 -4.054 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.438 -1.343 -1.923 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.725 -2.061 -1.561 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -13.410 -3.439 -1.025 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -14.552 -1.250 -0.593 1.00 1.12 C ATOM 0 H LEU A 110 -10.249 -1.301 -3.051 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.855 -1.860 -3.953 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.589 -1.932 -1.576 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.400 -0.389 -1.397 1.00 0.32 H new ATOM 0 HG LEU A 110 -14.329 -2.178 -2.461 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -14.338 -3.950 -0.767 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -12.879 -4.013 -1.785 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -12.785 -3.350 -0.136 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -15.467 -1.792 -0.354 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.981 -1.081 0.320 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -14.806 -0.291 -1.045 1.00 1.12 H new ATOM 1726 N CYS A 111 -11.985 1.259 -3.558 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.275 2.614 -3.966 1.00 0.19 C ATOM 1728 C CYS A 111 -12.771 2.609 -5.403 1.00 0.20 C ATOM 1729 O CYS A 111 -13.817 3.175 -5.715 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.007 3.447 -3.820 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.123 5.126 -4.439 1.00 0.22 S ATOM 0 H CYS A 111 -11.062 1.138 -3.140 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.054 3.049 -3.341 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.734 3.483 -2.765 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.196 2.939 -4.342 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.150 5.837 -3.951 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.044 1.904 -6.257 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.421 1.766 -7.650 1.00 0.22 C ATOM 1739 C VAL A 112 -13.652 0.873 -7.795 1.00 0.22 C ATOM 1740 O VAL A 112 -14.469 1.088 -8.682 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.268 1.207 -8.502 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.706 1.047 -9.944 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.053 2.118 -8.415 1.00 0.27 C ATOM 0 H VAL A 112 -11.184 1.417 -6.004 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.659 2.765 -8.016 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.994 0.227 -8.112 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.879 0.651 -10.534 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.550 0.359 -9.994 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.004 2.016 -10.343 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.247 1.708 -9.023 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.315 3.110 -8.781 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.725 2.189 -7.378 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.795 -0.116 -6.916 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.997 -0.947 -6.900 1.00 0.28 C ATOM 1755 C GLU A 113 -16.232 -0.081 -6.713 1.00 0.23 C ATOM 1756 O GLU A 113 -17.292 -0.347 -7.283 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.933 -2.018 -5.797 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.932 -3.123 -6.095 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.780 -4.127 -4.974 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.590 -5.075 -4.921 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.846 -3.979 -4.164 1.00 2.51 O ATOM 0 H GLU A 113 -13.100 -0.361 -6.211 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.057 -1.459 -7.860 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.669 -1.543 -4.852 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.922 -2.457 -5.668 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.241 -3.646 -7.000 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.961 -2.674 -6.303 1.00 0.53 H new ATOM 1768 N SER A 114 -16.076 0.979 -5.942 1.00 0.18 N ATOM 1769 CA SER A 114 -17.162 1.895 -5.681 1.00 0.19 C ATOM 1770 C SER A 114 -17.361 2.795 -6.888 1.00 0.22 C ATOM 1771 O SER A 114 -18.477 3.128 -7.257 1.00 0.28 O ATOM 1772 CB SER A 114 -16.849 2.717 -4.437 1.00 0.18 C ATOM 1773 OG SER A 114 -16.513 1.868 -3.353 1.00 0.20 O ATOM 0 H SER A 114 -15.199 1.225 -5.484 1.00 0.18 H new ATOM 0 HA SER A 114 -18.083 1.340 -5.504 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.023 3.398 -4.642 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.710 3.330 -4.173 1.00 0.18 H new ATOM 0 HG SER A 114 -15.641 1.454 -3.520 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.260 3.128 -7.533 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.272 3.986 -8.706 1.00 0.27 C ATOM 1781 C VAL A 115 -16.919 3.249 -9.860 1.00 0.28 C ATOM 1782 O VAL A 115 -17.629 3.826 -10.685 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.837 4.376 -9.091 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.814 5.216 -10.348 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.170 5.103 -7.946 1.00 1.10 C ATOM 0 H VAL A 115 -15.330 2.812 -7.260 1.00 0.21 H new ATOM 0 HA VAL A 115 -16.838 4.890 -8.480 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.279 3.462 -9.297 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.784 5.475 -10.593 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.252 4.651 -11.171 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.389 6.128 -10.187 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.153 5.374 -8.230 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.734 6.005 -7.710 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.141 4.454 -7.071 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.662 1.960 -9.870 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.168 1.041 -10.869 1.00 0.34 C ATOM 1797 C ASP A 116 -18.683 1.137 -10.995 1.00 0.35 C ATOM 1798 O ASP A 116 -19.222 1.265 -12.092 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.773 -0.367 -10.449 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.023 -1.401 -11.530 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.187 -1.520 -12.447 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -18.042 -2.115 -11.461 1.00 0.60 O ATOM 0 H ASP A 116 -16.080 1.508 -9.165 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.743 1.292 -11.841 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.716 -0.377 -10.182 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.331 -0.643 -9.554 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.362 1.085 -9.858 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.816 1.145 -9.829 1.00 0.35 C ATOM 1809 C LYS A 117 -21.287 2.595 -9.763 1.00 0.34 C ATOM 1810 O LYS A 117 -22.456 2.863 -9.484 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.354 0.378 -8.619 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.470 -0.775 -8.161 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.222 -1.771 -9.271 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.531 -3.017 -8.756 1.00 0.61 C ATOM 1815 NZ LYS A 117 -19.196 -3.948 -9.863 1.00 1.62 N ATOM 0 H LYS A 117 -18.927 1.001 -8.939 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.196 0.687 -10.742 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.481 1.074 -7.790 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.342 -0.012 -8.862 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.517 -0.383 -7.806 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.941 -1.281 -7.318 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.170 -2.045 -9.734 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.611 -1.309 -10.046 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.621 -2.737 -8.226 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -20.176 -3.522 -8.037 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.739 -4.798 -9.475 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.066 -4.220 -10.363 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.547 -3.479 -10.527 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.362 3.521 -10.015 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.648 4.953 -9.962 1.00 0.33 C ATOM 1831 C GLU A 118 -21.094 5.352 -8.562 1.00 0.31 C ATOM 1832 O GLU A 118 -22.133 5.982 -8.369 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.697 5.330 -11.007 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.234 5.067 -12.430 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.298 5.382 -13.451 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -22.508 6.577 -13.746 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -22.939 4.436 -13.957 1.00 1.88 O ATOM 0 H GLU A 118 -19.397 3.300 -10.261 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.735 5.502 -10.194 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.611 4.766 -10.817 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -21.946 6.386 -10.900 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.348 5.667 -12.637 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -20.941 4.021 -12.526 1.00 0.49 H new ATOM 1844 N MET A 119 -20.277 4.972 -7.594 1.00 0.26 N ATOM 1845 CA MET A 119 -20.525 5.242 -6.184 1.00 0.26 C ATOM 1846 C MET A 119 -19.257 5.830 -5.595 1.00 0.25 C ATOM 1847 O MET A 119 -18.811 5.452 -4.515 1.00 0.23 O ATOM 1848 CB MET A 119 -20.880 3.952 -5.440 1.00 0.25 C ATOM 1849 CG MET A 119 -22.027 3.171 -6.052 1.00 0.28 C ATOM 1850 SD MET A 119 -22.261 1.578 -5.245 1.00 0.31 S ATOM 1851 CE MET A 119 -20.584 0.946 -5.292 1.00 0.29 C ATOM 0 H MET A 119 -19.411 4.461 -7.765 1.00 0.26 H new ATOM 0 HA MET A 119 -21.361 5.934 -6.083 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.998 3.312 -5.406 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.134 4.200 -4.409 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.945 3.754 -5.976 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.835 3.015 -7.114 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.607 -0.143 -5.330 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.075 1.330 -6.176 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.049 1.267 -4.398 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.680 6.753 -6.338 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.389 7.332 -6.040 1.00 0.31 C ATOM 1863 C GLN A 120 -17.337 8.043 -4.680 1.00 0.32 C ATOM 1864 O GLN A 120 -16.281 8.492 -4.253 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.021 8.274 -7.167 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.199 7.630 -8.530 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.534 7.939 -9.181 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.543 8.147 -8.507 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -18.544 7.955 -10.500 1.00 0.55 N ATOM 0 H GLN A 120 -19.107 7.129 -7.185 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.662 6.524 -5.964 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.639 9.170 -7.106 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -15.985 8.592 -7.049 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.398 7.966 -9.188 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.096 6.550 -8.428 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -17.684 7.777 -11.019 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.412 8.145 -11.001 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.473 8.168 -4.011 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.499 8.745 -2.670 1.00 0.35 C ATOM 1880 C VAL A 121 -17.761 7.857 -1.660 1.00 0.31 C ATOM 1881 O VAL A 121 -17.234 8.349 -0.664 1.00 0.36 O ATOM 1882 CB VAL A 121 -19.939 8.983 -2.176 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.626 10.039 -3.026 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.730 7.686 -2.186 1.00 0.38 C ATOM 0 H VAL A 121 -19.384 7.881 -4.369 1.00 0.32 H new ATOM 0 HA VAL A 121 -17.988 9.705 -2.741 1.00 0.35 H new ATOM 0 HB VAL A 121 -19.895 9.346 -1.149 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.642 10.194 -2.663 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.071 10.975 -2.962 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.658 9.706 -4.063 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.744 7.875 -1.834 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.766 7.290 -3.201 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.248 6.961 -1.531 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.703 6.554 -1.934 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.041 5.608 -1.032 1.00 0.21 C ATOM 1896 C LEU A 122 -15.548 5.788 -1.088 1.00 0.19 C ATOM 1897 O LEU A 122 -14.848 5.488 -0.128 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.373 4.155 -1.381 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.770 3.676 -1.001 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.093 4.081 0.424 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.806 4.207 -1.975 1.00 0.22 C ATOM 0 H LEU A 122 -18.104 6.129 -2.770 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.410 5.818 -0.028 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.245 4.022 -2.455 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.644 3.509 -0.891 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.794 2.588 -1.058 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.093 3.733 0.683 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.366 3.635 1.103 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.052 5.167 0.512 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.795 3.852 -1.684 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.793 5.297 -1.962 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.575 3.854 -2.980 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.084 6.270 -2.226 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.679 6.551 -2.452 1.00 0.20 C ATOM 1915 C VAL A 123 -12.990 7.156 -1.222 1.00 0.22 C ATOM 1916 O VAL A 123 -12.005 6.607 -0.725 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.553 7.487 -3.665 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.166 8.087 -3.779 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -13.914 6.715 -4.923 1.00 0.23 C ATOM 0 H VAL A 123 -15.679 6.480 -3.028 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.169 5.608 -2.648 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.242 8.321 -3.533 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.123 8.741 -4.650 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.944 8.663 -2.881 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.432 7.289 -3.888 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.828 7.371 -5.790 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.236 5.870 -5.038 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -14.938 6.350 -4.845 1.00 0.23 H new ATOM 1929 N SER A 124 -13.521 8.257 -0.711 1.00 0.24 N ATOM 1930 CA SER A 124 -12.896 8.926 0.425 1.00 0.28 C ATOM 1931 C SER A 124 -13.213 8.189 1.732 1.00 0.27 C ATOM 1932 O SER A 124 -12.405 8.177 2.663 1.00 0.33 O ATOM 1933 CB SER A 124 -13.366 10.379 0.509 1.00 0.36 C ATOM 1934 OG SER A 124 -12.485 11.154 1.309 1.00 1.35 O ATOM 0 H SER A 124 -14.371 8.703 -1.057 1.00 0.24 H new ATOM 0 HA SER A 124 -11.816 8.913 0.278 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.423 10.805 -0.493 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.371 10.416 0.929 1.00 0.36 H new ATOM 0 HG SER A 124 -11.616 11.228 0.861 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.383 7.556 1.781 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.849 6.876 2.986 1.00 0.23 C ATOM 1942 C ARG A 125 -13.972 5.675 3.308 1.00 0.21 C ATOM 1943 O ARG A 125 -13.541 5.496 4.447 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.295 6.411 2.810 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.241 7.504 2.352 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.679 7.032 2.369 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.598 8.048 1.858 1.00 1.44 N ATOM 1948 CZ ARG A 125 -20.926 7.984 1.971 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.491 7.003 2.662 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -21.686 8.922 1.419 1.00 2.67 N ATOM 0 H ARG A 125 -15.029 7.500 0.994 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.792 7.586 3.811 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.319 5.597 2.086 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.654 6.007 3.756 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.134 8.374 2.999 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -16.972 7.821 1.344 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.770 6.127 1.769 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.961 6.768 3.388 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.198 8.858 1.385 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.910 6.294 3.109 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.507 6.958 2.746 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.255 9.692 0.908 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -22.701 8.872 1.506 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.729 4.852 2.297 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.889 3.668 2.435 1.00 0.19 C ATOM 1966 C ILE A 126 -11.526 4.033 3.017 1.00 0.20 C ATOM 1967 O ILE A 126 -11.074 3.427 3.990 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.704 2.971 1.067 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.081 2.602 0.497 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.826 1.732 1.213 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.069 2.124 -0.939 1.00 0.18 C ATOM 0 H ILE A 126 -14.107 4.985 1.359 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.388 2.981 3.119 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.205 3.652 0.378 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.519 1.823 1.120 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.733 3.472 0.570 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.707 1.254 0.241 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.848 2.022 1.597 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.295 1.033 1.906 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.086 1.887 -1.252 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.665 2.908 -1.580 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.448 1.232 -1.020 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.894 5.042 2.430 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.573 5.484 2.861 1.00 0.24 C ATOM 1985 C ALA A 127 -9.549 5.860 4.340 1.00 0.24 C ATOM 1986 O ALA A 127 -8.564 5.606 5.036 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.116 6.660 2.022 1.00 0.27 C ATOM 0 H ALA A 127 -11.278 5.573 1.649 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.888 4.647 2.722 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.128 6.981 2.353 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.069 6.363 0.974 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.822 7.483 2.134 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.635 6.463 4.807 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.761 6.856 6.207 1.00 0.22 C ATOM 1995 C ALA A 128 -10.586 5.661 7.122 1.00 0.23 C ATOM 1996 O ALA A 128 -9.702 5.632 7.980 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.124 7.472 6.458 1.00 0.23 C ATOM 0 H ALA A 128 -11.447 6.692 4.233 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.980 7.586 6.420 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.205 7.761 7.506 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.247 8.353 5.828 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.901 6.745 6.221 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.433 4.674 6.907 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.462 3.489 7.738 1.00 0.35 C ATOM 2005 C TRP A 129 -10.170 2.690 7.597 1.00 0.25 C ATOM 2006 O TRP A 129 -9.662 2.143 8.575 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.664 2.630 7.361 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.982 3.295 7.608 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.821 3.815 6.669 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.611 3.511 8.875 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.934 4.345 7.273 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.831 4.171 8.626 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.266 3.210 10.196 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.702 4.536 9.650 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.132 3.573 11.209 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.337 4.229 10.932 1.00 3.91 C ATOM 0 H TRP A 129 -12.119 4.672 6.152 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.552 3.795 8.780 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.593 2.365 6.306 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.625 1.699 7.927 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.637 3.811 5.605 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.712 4.796 6.791 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.339 2.703 10.420 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.632 5.043 9.439 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.875 3.347 12.233 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.992 4.498 11.747 1.00 3.91 H new ATOM 2027 N MET A 130 -9.633 2.647 6.380 1.00 0.24 N ATOM 2028 CA MET A 130 -8.394 1.922 6.110 1.00 0.26 C ATOM 2029 C MET A 130 -7.237 2.502 6.905 1.00 0.25 C ATOM 2030 O MET A 130 -6.489 1.775 7.560 1.00 0.29 O ATOM 2031 CB MET A 130 -8.064 1.968 4.626 1.00 0.31 C ATOM 2032 CG MET A 130 -9.034 1.179 3.776 1.00 0.29 C ATOM 2033 SD MET A 130 -8.213 -0.069 2.781 1.00 1.08 S ATOM 2034 CE MET A 130 -7.022 0.954 1.934 1.00 0.31 C ATOM 0 H MET A 130 -10.037 3.106 5.564 1.00 0.24 H new ATOM 0 HA MET A 130 -8.543 0.886 6.415 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.060 3.006 4.293 1.00 0.31 H new ATOM 0 HB3 MET A 130 -7.057 1.580 4.472 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.771 0.699 4.420 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.578 1.861 3.122 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.780 0.508 0.969 1.00 0.31 H new ATOM 0 HE2 MET A 130 -7.441 1.948 1.779 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.116 1.032 2.535 1.00 0.31 H new ATOM 2044 N ALA A 131 -7.101 3.817 6.849 1.00 0.24 N ATOM 2045 CA ALA A 131 -6.013 4.496 7.528 1.00 0.24 C ATOM 2046 C ALA A 131 -6.164 4.405 9.035 1.00 0.24 C ATOM 2047 O ALA A 131 -5.176 4.267 9.752 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.943 5.945 7.095 1.00 0.25 C ATOM 0 H ALA A 131 -7.732 4.435 6.339 1.00 0.24 H new ATOM 0 HA ALA A 131 -5.083 3.999 7.251 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.122 6.440 7.613 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.776 5.996 6.019 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.881 6.444 7.341 1.00 0.25 H new ATOM 2054 N THR A 132 -7.394 4.494 9.516 1.00 0.26 N ATOM 2055 CA THR A 132 -7.647 4.357 10.937 1.00 0.29 C ATOM 2056 C THR A 132 -7.317 2.944 11.418 1.00 0.30 C ATOM 2057 O THR A 132 -6.671 2.771 12.453 1.00 0.32 O ATOM 2058 CB THR A 132 -9.104 4.685 11.292 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.403 6.041 10.927 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.336 4.485 12.780 1.00 0.40 C ATOM 0 H THR A 132 -8.224 4.659 8.947 1.00 0.26 H new ATOM 0 HA THR A 132 -6.998 5.073 11.441 1.00 0.29 H new ATOM 0 HB THR A 132 -9.762 4.015 10.739 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.535 6.097 9.958 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.373 4.720 13.021 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.128 3.448 13.045 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.674 5.143 13.343 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.760 1.937 10.670 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.450 0.553 11.006 1.00 0.32 C ATOM 2070 C TYR A 133 -5.937 0.374 11.088 1.00 0.32 C ATOM 2071 O TYR A 133 -5.425 -0.274 11.999 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.040 -0.410 9.974 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.959 -1.858 10.400 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.965 -2.443 11.160 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.879 -2.645 10.025 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -8.894 -3.771 11.536 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -6.803 -3.973 10.392 1.00 2.40 C ATOM 2078 CZ TYR A 133 -7.808 -4.509 11.221 1.00 2.40 C ATOM 2079 OH TYR A 133 -7.739 -5.856 11.504 1.00 3.13 O ATOM 0 H TYR A 133 -8.331 2.053 9.833 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.897 0.323 11.973 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -9.083 -0.148 9.796 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.514 -0.286 9.028 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.816 -1.850 11.462 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -6.085 -2.211 9.436 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -9.710 -4.220 12.083 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -5.986 -4.591 10.049 1.00 2.40 H new ATOM 0 HH TYR A 133 -6.828 -6.178 11.341 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.235 0.956 10.126 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.783 1.039 10.171 1.00 0.30 C ATOM 2091 C LEU A 134 -3.344 1.696 11.474 1.00 0.32 C ATOM 2092 O LEU A 134 -2.646 1.089 12.282 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.285 1.817 8.935 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.924 2.525 9.015 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.896 1.750 9.791 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -1.373 2.784 7.625 1.00 0.88 C ATOM 0 H LEU A 134 -5.653 1.381 9.298 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.344 0.042 10.145 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.248 1.120 8.097 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -4.036 2.569 8.691 1.00 0.29 H new ATOM 0 HG LEU A 134 -2.111 3.462 9.540 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.042 2.306 9.809 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.248 1.599 10.812 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -0.735 0.782 9.316 1.00 0.95 H new ATOM 0 HD21 LEU A 134 -0.409 3.286 7.704 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -1.247 1.836 7.101 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -2.067 3.416 7.070 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.766 2.925 11.652 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.443 3.716 12.845 1.00 0.35 C ATOM 2110 C ASN A 135 -3.580 2.918 14.139 1.00 0.38 C ATOM 2111 O ASN A 135 -2.627 2.814 14.912 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.354 4.936 12.913 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.732 6.178 12.331 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.111 6.962 13.041 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -3.901 6.369 11.035 1.00 0.34 N ATOM 0 H ASN A 135 -4.348 3.420 10.976 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.399 4.017 12.754 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.280 4.719 12.381 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.620 5.125 13.953 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.507 7.196 10.586 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.425 5.690 10.483 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.755 2.353 14.370 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.038 1.669 15.624 1.00 0.42 C ATOM 2124 C ASP A 136 -4.392 0.288 15.678 1.00 0.40 C ATOM 2125 O ASP A 136 -3.697 -0.053 16.637 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.552 1.541 15.812 1.00 0.45 C ATOM 2127 CG ASP A 136 -6.925 0.645 16.976 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -6.873 1.109 18.135 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.282 -0.528 16.734 1.00 0.58 O ATOM 0 H ASP A 136 -5.529 2.354 13.706 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.612 2.265 16.431 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -6.979 2.531 15.970 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -6.995 1.145 14.898 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.630 -0.497 14.647 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.261 -1.906 14.645 1.00 0.38 C ATOM 2136 C HIS A 137 -2.875 -2.158 14.059 1.00 0.35 C ATOM 2137 O HIS A 137 -2.037 -2.810 14.676 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.301 -2.679 13.839 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.249 -3.480 14.675 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.093 -2.918 15.610 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.487 -4.812 14.710 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -7.806 -3.868 16.181 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.459 -5.025 15.653 1.00 1.34 N ATOM 0 H HIS A 137 -5.082 -0.182 13.789 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.231 -2.242 15.681 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.872 -1.975 13.234 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.787 -3.348 13.149 1.00 0.40 H new ATOM 0 HD1 HIS A 137 -7.156 -1.923 15.826 1.00 1.18 H new ATOM 0 HD2 HIS A 137 -6.002 -5.566 14.108 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.549 -3.723 16.951 1.00 1.13 H new ATOM 2152 N LEU A 138 -2.647 -1.625 12.872 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.522 -2.007 12.049 1.00 0.29 C ATOM 2154 C LEU A 138 -0.203 -1.366 12.448 1.00 0.27 C ATOM 2155 O LEU A 138 0.829 -2.027 12.420 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.861 -1.618 10.633 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.045 -2.769 9.677 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.679 -3.976 10.361 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.888 -2.311 8.508 1.00 1.20 C ATOM 0 H LEU A 138 -3.243 -0.911 12.453 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.368 -3.079 12.171 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.777 -1.027 10.645 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -1.070 -0.973 10.251 1.00 0.30 H new ATOM 0 HG LEU A 138 -1.065 -3.086 9.320 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.795 -4.784 9.639 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -2.039 -4.309 11.178 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.657 -3.699 10.755 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.025 -3.139 7.812 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.860 -1.976 8.870 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.387 -1.488 7.999 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.237 -0.079 12.772 1.00 0.30 N ATOM 2172 CA GLU A 139 0.984 0.693 13.054 1.00 0.31 C ATOM 2173 C GLU A 139 1.978 -0.065 13.952 1.00 0.30 C ATOM 2174 O GLU A 139 3.162 -0.139 13.616 1.00 0.30 O ATOM 2175 CB GLU A 139 0.649 2.052 13.671 1.00 0.38 C ATOM 2176 CG GLU A 139 1.838 2.998 13.711 1.00 0.40 C ATOM 2177 CD GLU A 139 1.552 4.258 14.496 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.715 5.069 14.043 1.00 0.75 O ATOM 2179 OE2 GLU A 139 2.170 4.451 15.558 1.00 0.61 O ATOM 0 H GLU A 139 -1.099 0.462 12.848 1.00 0.30 H new ATOM 0 HA GLU A 139 1.471 0.849 12.092 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.157 2.515 13.101 1.00 0.38 H new ATOM 0 HB3 GLU A 139 0.277 1.902 14.685 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.692 2.484 14.154 1.00 0.40 H new ATOM 0 HG3 GLU A 139 2.120 3.265 12.692 1.00 0.40 H new ATOM 2186 N PRO A 140 1.531 -0.646 15.093 1.00 0.32 N ATOM 2187 CA PRO A 140 2.403 -1.466 15.939 1.00 0.34 C ATOM 2188 C PRO A 140 3.094 -2.572 15.144 1.00 0.32 C ATOM 2189 O PRO A 140 4.306 -2.764 15.253 1.00 0.34 O ATOM 2190 CB PRO A 140 1.447 -2.076 16.963 1.00 0.40 C ATOM 2191 CG PRO A 140 0.295 -1.145 17.023 1.00 0.56 C ATOM 2192 CD PRO A 140 0.168 -0.543 15.656 1.00 0.36 C ATOM 0 HA PRO A 140 3.205 -0.877 16.385 1.00 0.34 H new ATOM 0 HB2 PRO A 140 1.131 -3.074 16.661 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.925 -2.174 17.938 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -0.617 -1.673 17.302 1.00 0.56 H new ATOM 0 HG3 PRO A 140 0.458 -0.372 17.774 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.557 -1.083 15.048 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.166 0.493 15.705 1.00 0.36 H new ATOM 2200 N TRP A 141 2.311 -3.274 14.326 1.00 0.31 N ATOM 2201 CA TRP A 141 2.823 -4.345 13.473 1.00 0.32 C ATOM 2202 C TRP A 141 3.910 -3.828 12.547 1.00 0.31 C ATOM 2203 O TRP A 141 4.974 -4.421 12.438 1.00 0.36 O ATOM 2204 CB TRP A 141 1.699 -4.949 12.636 1.00 0.35 C ATOM 2205 CG TRP A 141 1.180 -6.248 13.159 1.00 0.36 C ATOM 2206 CD1 TRP A 141 1.830 -7.444 13.142 1.00 0.43 C ATOM 2207 CD2 TRP A 141 -0.099 -6.493 13.754 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.035 -8.421 13.679 1.00 0.60 N ATOM 2209 CE2 TRP A 141 -0.154 -7.863 14.070 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -1.202 -5.691 14.050 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -1.267 -8.446 14.666 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -2.307 -6.270 14.644 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -2.331 -7.636 14.947 1.00 1.20 C ATOM 0 H TRP A 141 1.307 -3.117 14.236 1.00 0.31 H new ATOM 0 HA TRP A 141 3.243 -5.112 14.124 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.876 -4.236 12.583 1.00 0.35 H new ATOM 0 HB3 TRP A 141 2.058 -5.097 11.618 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.828 -7.600 12.760 1.00 0.43 H new ATOM 0 HE1 TRP A 141 1.287 -9.405 13.773 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.192 -4.636 13.819 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 -1.290 -9.500 14.898 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -3.166 -5.659 14.878 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -3.209 -8.059 15.413 1.00 1.20 H new ATOM 2224 N ILE A 142 3.630 -2.720 11.882 1.00 0.26 N ATOM 2225 CA ILE A 142 4.602 -2.078 11.006 1.00 0.26 C ATOM 2226 C ILE A 142 5.939 -1.904 11.720 1.00 0.29 C ATOM 2227 O ILE A 142 6.996 -2.243 11.185 1.00 0.32 O ATOM 2228 CB ILE A 142 4.071 -0.706 10.543 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.992 -0.894 9.486 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.187 0.177 10.019 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.637 -0.395 9.914 1.00 0.26 C ATOM 0 H ILE A 142 2.731 -2.241 11.931 1.00 0.26 H new ATOM 0 HA ILE A 142 4.755 -2.716 10.135 1.00 0.26 H new ATOM 0 HB ILE A 142 3.637 -0.203 11.407 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.291 -0.373 8.576 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.919 -1.953 9.238 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.775 1.135 9.702 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.922 0.341 10.807 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.668 -0.310 9.170 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.918 -0.561 9.112 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.316 -0.933 10.806 1.00 0.26 H new ATOM 0 HD13 ILE A 142 1.695 0.671 10.134 1.00 0.26 H new ATOM 2243 N GLN A 143 5.873 -1.391 12.935 1.00 0.30 N ATOM 2244 CA GLN A 143 7.059 -1.158 13.745 1.00 0.35 C ATOM 2245 C GLN A 143 7.774 -2.465 14.105 1.00 0.39 C ATOM 2246 O GLN A 143 8.997 -2.484 14.257 1.00 0.43 O ATOM 2247 CB GLN A 143 6.674 -0.393 15.002 1.00 0.41 C ATOM 2248 CG GLN A 143 5.919 0.889 14.697 1.00 0.43 C ATOM 2249 CD GLN A 143 6.684 1.810 13.765 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.915 1.823 13.752 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.959 2.582 12.971 1.00 0.52 N ATOM 0 H GLN A 143 4.999 -1.124 13.389 1.00 0.30 H new ATOM 0 HA GLN A 143 7.759 -0.564 13.158 1.00 0.35 H new ATOM 0 HB2 GLN A 143 6.059 -1.031 15.637 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.575 -0.154 15.568 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.957 0.642 14.248 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.710 1.414 15.629 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.941 2.542 13.012 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.419 3.217 12.318 1.00 0.52 H new ATOM 2260 N GLU A 144 7.018 -3.564 14.213 1.00 0.40 N ATOM 2261 CA GLU A 144 7.595 -4.884 14.467 1.00 0.47 C ATOM 2262 C GLU A 144 8.514 -5.278 13.324 1.00 0.48 C ATOM 2263 O GLU A 144 9.433 -6.079 13.479 1.00 0.55 O ATOM 2264 CB GLU A 144 6.479 -5.919 14.577 1.00 0.51 C ATOM 2265 CG GLU A 144 5.438 -5.578 15.612 1.00 0.52 C ATOM 2266 CD GLU A 144 5.903 -5.863 17.020 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.046 -7.052 17.371 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.134 -4.902 17.778 1.00 0.67 O ATOM 0 H GLU A 144 6.002 -3.562 14.128 1.00 0.40 H new ATOM 0 HA GLU A 144 8.162 -4.846 15.397 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.994 -6.022 13.606 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.916 -6.888 14.819 1.00 0.51 H new ATOM 0 HG2 GLU A 144 5.178 -4.523 15.526 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.531 -6.148 15.411 1.00 0.52 H new ATOM 2275 N ASN A 145 8.249 -4.683 12.181 1.00 0.44 N ATOM 2276 CA ASN A 145 8.933 -5.009 10.949 1.00 0.48 C ATOM 2277 C ASN A 145 9.928 -3.918 10.613 1.00 0.47 C ATOM 2278 O ASN A 145 10.476 -3.861 9.513 1.00 0.57 O ATOM 2279 CB ASN A 145 7.898 -5.177 9.841 1.00 0.49 C ATOM 2280 CG ASN A 145 7.042 -6.404 10.070 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.309 -7.473 9.521 1.00 0.93 O ATOM 2282 ND2 ASN A 145 6.032 -6.265 10.913 1.00 0.54 N ATOM 0 H ASN A 145 7.545 -3.952 12.080 1.00 0.44 H new ATOM 0 HA ASN A 145 9.485 -5.943 11.057 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.264 -4.292 9.796 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.403 -5.257 8.878 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.437 -7.064 11.132 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.849 -5.359 11.344 1.00 0.54 H new ATOM 2289 N GLY A 146 10.136 -3.046 11.582 1.00 0.42 N ATOM 2290 CA GLY A 146 11.139 -2.021 11.469 1.00 0.45 C ATOM 2291 C GLY A 146 10.557 -0.643 11.238 1.00 0.44 C ATOM 2292 O GLY A 146 11.262 0.359 11.344 1.00 0.56 O ATOM 0 H GLY A 146 9.616 -3.033 12.459 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.740 -2.007 12.378 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.811 -2.268 10.647 1.00 0.45 H new ATOM 2296 N GLY A 147 9.278 -0.587 10.918 1.00 0.36 N ATOM 2297 CA GLY A 147 8.641 0.688 10.672 1.00 0.36 C ATOM 2298 C GLY A 147 8.460 0.958 9.195 1.00 0.38 C ATOM 2299 O GLY A 147 8.935 0.190 8.355 1.00 0.49 O ATOM 0 H GLY A 147 8.668 -1.399 10.824 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.669 0.709 11.166 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.240 1.484 11.115 1.00 0.36 H new ATOM 2303 N TRP A 148 7.781 2.053 8.880 1.00 0.35 N ATOM 2304 CA TRP A 148 7.499 2.416 7.500 1.00 0.37 C ATOM 2305 C TRP A 148 8.785 2.704 6.740 1.00 0.38 C ATOM 2306 O TRP A 148 8.948 2.279 5.597 1.00 0.40 O ATOM 2307 CB TRP A 148 6.585 3.635 7.449 1.00 0.39 C ATOM 2308 CG TRP A 148 5.167 3.348 7.829 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.464 3.902 8.858 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.276 2.438 7.174 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.184 3.404 8.874 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.046 2.501 7.852 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.398 1.580 6.076 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 1.947 1.741 7.466 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.304 0.826 5.698 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.093 0.910 6.390 1.00 3.32 C ATOM 0 H TRP A 148 7.413 2.709 9.569 1.00 0.35 H new ATOM 0 HA TRP A 148 6.997 1.572 7.026 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.981 4.401 8.115 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.604 4.049 6.441 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.856 4.626 9.557 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.455 3.664 9.538 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.330 1.508 5.534 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.010 1.805 7.998 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 3.386 0.159 4.852 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.256 0.307 6.069 1.00 3.32 H new ATOM 2327 N ASP A 149 9.690 3.426 7.387 1.00 0.42 N ATOM 2328 CA ASP A 149 10.996 3.737 6.813 1.00 0.47 C ATOM 2329 C ASP A 149 11.710 2.468 6.370 1.00 0.47 C ATOM 2330 O ASP A 149 12.191 2.374 5.241 1.00 0.52 O ATOM 2331 CB ASP A 149 11.849 4.478 7.843 1.00 0.56 C ATOM 2332 CG ASP A 149 13.253 4.755 7.356 1.00 1.23 C ATOM 2333 OD1 ASP A 149 13.429 5.679 6.536 1.00 1.72 O ATOM 2334 OD2 ASP A 149 14.186 4.038 7.779 1.00 1.96 O ATOM 0 H ASP A 149 9.543 3.812 8.320 1.00 0.42 H new ATOM 0 HA ASP A 149 10.847 4.371 5.939 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.365 5.421 8.096 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.897 3.889 8.759 1.00 0.56 H new ATOM 2339 N THR A 150 11.746 1.486 7.262 1.00 0.47 N ATOM 2340 CA THR A 150 12.387 0.212 6.985 1.00 0.51 C ATOM 2341 C THR A 150 11.765 -0.475 5.774 1.00 0.50 C ATOM 2342 O THR A 150 12.456 -1.130 4.998 1.00 0.56 O ATOM 2343 CB THR A 150 12.298 -0.722 8.203 1.00 0.56 C ATOM 2344 OG1 THR A 150 13.019 -0.152 9.304 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.852 -2.101 7.873 1.00 0.67 C ATOM 0 H THR A 150 11.333 1.552 8.192 1.00 0.47 H new ATOM 0 HA THR A 150 13.434 0.421 6.767 1.00 0.51 H new ATOM 0 HB THR A 150 11.249 -0.834 8.477 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.385 0.168 9.980 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.778 -2.743 8.751 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.279 -2.537 7.055 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.897 -2.012 7.576 1.00 0.67 H new ATOM 2353 N PHE A 151 10.466 -0.306 5.601 1.00 0.45 N ATOM 2354 CA PHE A 151 9.767 -0.927 4.491 1.00 0.47 C ATOM 2355 C PHE A 151 10.352 -0.430 3.172 1.00 0.48 C ATOM 2356 O PHE A 151 10.630 -1.217 2.267 1.00 0.55 O ATOM 2357 CB PHE A 151 8.265 -0.613 4.578 1.00 0.47 C ATOM 2358 CG PHE A 151 7.412 -1.317 3.558 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.450 -0.934 2.228 1.00 1.75 C ATOM 2360 CD2 PHE A 151 6.575 -2.359 3.926 1.00 1.80 C ATOM 2361 CE1 PHE A 151 6.671 -1.575 1.287 1.00 2.61 C ATOM 2362 CE2 PHE A 151 5.792 -3.002 2.991 1.00 2.65 C ATOM 2363 CZ PHE A 151 5.838 -2.624 1.681 1.00 3.00 C ATOM 0 H PHE A 151 9.875 0.255 6.214 1.00 0.45 H new ATOM 0 HA PHE A 151 9.894 -2.009 4.539 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.910 -0.879 5.574 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.126 0.462 4.467 1.00 0.47 H new ATOM 0 HD1 PHE A 151 8.097 -0.124 1.924 1.00 1.75 H new ATOM 0 HD2 PHE A 151 6.536 -2.671 4.959 1.00 1.80 H new ATOM 0 HE1 PHE A 151 6.705 -1.267 0.252 1.00 2.61 H new ATOM 0 HE2 PHE A 151 5.140 -3.807 3.297 1.00 2.65 H new ATOM 0 HZ PHE A 151 5.231 -3.136 0.949 1.00 3.00 H new ATOM 2373 N VAL A 152 10.564 0.876 3.081 1.00 0.45 N ATOM 2374 CA VAL A 152 11.158 1.464 1.890 1.00 0.49 C ATOM 2375 C VAL A 152 12.649 1.125 1.817 1.00 0.57 C ATOM 2376 O VAL A 152 13.234 1.066 0.736 1.00 0.64 O ATOM 2377 CB VAL A 152 10.916 2.998 1.791 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.100 3.499 2.966 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.214 3.780 1.667 1.00 0.91 C ATOM 0 H VAL A 152 10.334 1.546 3.815 1.00 0.45 H new ATOM 0 HA VAL A 152 10.658 1.025 1.027 1.00 0.49 H new ATOM 0 HB VAL A 152 10.347 3.168 0.877 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.946 4.574 2.870 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.134 2.994 2.980 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.632 3.290 3.894 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.992 4.845 1.601 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.837 3.593 2.542 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.745 3.464 0.769 1.00 0.91 H new ATOM 2389 N GLU A 153 13.262 0.894 2.968 1.00 0.59 N ATOM 2390 CA GLU A 153 14.641 0.434 3.003 1.00 0.69 C ATOM 2391 C GLU A 153 14.767 -0.911 2.294 1.00 0.70 C ATOM 2392 O GLU A 153 15.803 -1.222 1.705 1.00 0.80 O ATOM 2393 CB GLU A 153 15.140 0.326 4.443 1.00 0.76 C ATOM 2394 CG GLU A 153 15.222 1.670 5.136 1.00 0.80 C ATOM 2395 CD GLU A 153 16.272 2.575 4.527 1.00 1.31 C ATOM 2396 OE1 GLU A 153 17.453 2.486 4.926 1.00 1.58 O ATOM 2397 OE2 GLU A 153 15.924 3.384 3.642 1.00 1.67 O ATOM 0 H GLU A 153 12.830 1.017 3.884 1.00 0.59 H new ATOM 0 HA GLU A 153 15.260 1.164 2.482 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.474 -0.328 5.006 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.125 -0.141 4.448 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.250 2.161 5.085 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.447 1.517 6.192 1.00 0.80 H new ATOM 2404 N LEU A 154 13.693 -1.698 2.333 1.00 0.67 N ATOM 2405 CA LEU A 154 13.693 -3.014 1.709 1.00 0.72 C ATOM 2406 C LEU A 154 13.130 -2.946 0.289 1.00 0.74 C ATOM 2407 O LEU A 154 13.818 -3.277 -0.676 1.00 0.83 O ATOM 2408 CB LEU A 154 12.866 -4.024 2.522 1.00 0.72 C ATOM 2409 CG LEU A 154 12.929 -3.902 4.050 1.00 0.83 C ATOM 2410 CD1 LEU A 154 12.305 -5.119 4.706 1.00 1.30 C ATOM 2411 CD2 LEU A 154 14.348 -3.713 4.544 1.00 1.14 C ATOM 0 H LEU A 154 12.816 -1.446 2.789 1.00 0.67 H new ATOM 0 HA LEU A 154 14.730 -3.347 1.676 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.824 -3.933 2.217 1.00 0.72 H new ATOM 0 HB3 LEU A 154 13.191 -5.028 2.248 1.00 0.72 H new ATOM 0 HG LEU A 154 12.361 -3.014 4.328 1.00 0.83 H new ATOM 0 HD11 LEU A 154 12.358 -5.016 5.790 1.00 1.30 H new ATOM 0 HD12 LEU A 154 11.262 -5.203 4.400 1.00 1.30 H new ATOM 0 HD13 LEU A 154 12.846 -6.015 4.400 1.00 1.30 H new ATOM 0 HD21 LEU A 154 14.347 -3.631 5.631 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.954 -4.568 4.245 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.766 -2.804 4.112 1.00 1.14 H new ATOM 2423 N TYR A 155 11.878 -2.512 0.171 1.00 0.69 N ATOM 2424 CA TYR A 155 11.166 -2.552 -1.103 1.00 0.78 C ATOM 2425 C TYR A 155 10.727 -1.152 -1.512 1.00 0.77 C ATOM 2426 O TYR A 155 9.746 -0.974 -2.234 1.00 1.15 O ATOM 2427 CB TYR A 155 9.950 -3.467 -0.982 1.00 0.86 C ATOM 2428 CG TYR A 155 9.590 -4.194 -2.262 1.00 1.40 C ATOM 2429 CD1 TYR A 155 8.729 -3.617 -3.185 1.00 2.24 C ATOM 2430 CD2 TYR A 155 10.108 -5.453 -2.546 1.00 1.83 C ATOM 2431 CE1 TYR A 155 8.393 -4.273 -4.354 1.00 3.16 C ATOM 2432 CE2 TYR A 155 9.777 -6.113 -3.714 1.00 2.65 C ATOM 2433 CZ TYR A 155 8.941 -5.540 -4.607 1.00 3.24 C ATOM 2434 OH TYR A 155 8.580 -6.177 -5.774 1.00 4.24 O ATOM 0 H TYR A 155 11.335 -2.128 0.944 1.00 0.69 H new ATOM 0 HA TYR A 155 11.836 -2.941 -1.870 1.00 0.78 H new ATOM 0 HB2 TYR A 155 10.139 -4.203 -0.200 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.094 -2.874 -0.661 1.00 0.86 H new ATOM 0 HD1 TYR A 155 8.315 -2.640 -2.986 1.00 2.24 H new ATOM 0 HD2 TYR A 155 10.780 -5.922 -1.842 1.00 1.83 H new ATOM 0 HE1 TYR A 155 7.718 -3.817 -5.063 1.00 3.16 H new ATOM 0 HE2 TYR A 155 10.189 -7.091 -3.914 1.00 2.65 H new ATOM 0 HH TYR A 155 8.294 -7.092 -5.572 1.00 4.24 H new ATOM 2444 N GLY A 156 11.459 -0.160 -1.037 1.00 0.66 N ATOM 2445 CA GLY A 156 11.163 1.218 -1.370 1.00 0.64 C ATOM 2446 C GLY A 156 11.265 1.496 -2.839 1.00 0.78 C ATOM 2447 O GLY A 156 11.873 0.736 -3.597 1.00 1.10 O ATOM 0 H GLY A 156 12.262 -0.285 -0.420 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.157 1.461 -1.028 1.00 0.64 H new ATOM 0 HA3 GLY A 156 11.850 1.872 -0.833 1.00 0.64 H new ATOM 2451 N ASN A 157 10.671 2.599 -3.217 1.00 0.70 N ATOM 2452 CA ASN A 157 10.684 3.071 -4.577 1.00 0.80 C ATOM 2453 C ASN A 157 12.111 3.215 -5.084 1.00 1.14 C ATOM 2454 O ASN A 157 12.859 4.073 -4.619 1.00 1.29 O ATOM 2455 CB ASN A 157 9.982 4.408 -4.607 1.00 0.70 C ATOM 2456 CG ASN A 157 9.860 4.984 -6.002 1.00 0.77 C ATOM 2457 OD1 ASN A 157 10.757 5.678 -6.482 1.00 0.88 O ATOM 2458 ND2 ASN A 157 8.749 4.700 -6.662 1.00 0.76 N ATOM 0 H ASN A 157 10.156 3.204 -2.577 1.00 0.70 H new ATOM 0 HA ASN A 157 10.176 2.357 -5.225 1.00 0.80 H new ATOM 0 HB2 ASN A 157 8.986 4.298 -4.177 1.00 0.70 H new ATOM 0 HB3 ASN A 157 10.526 5.111 -3.976 1.00 0.70 H new ATOM 0 HD21 ASN A 157 8.611 5.060 -7.606 1.00 0.76 H new ATOM 0 HD22 ASN A 157 8.031 4.121 -6.227 1.00 0.76 H new ATOM 2465 N ASN A 158 12.482 2.368 -6.023 1.00 1.40 N ATOM 2466 CA ASN A 158 13.829 2.339 -6.537 1.00 1.79 C ATOM 2467 C ASN A 158 13.892 3.076 -7.873 1.00 1.93 C ATOM 2468 O ASN A 158 14.957 3.246 -8.458 1.00 2.18 O ATOM 2469 CB ASN A 158 14.257 0.881 -6.681 1.00 2.11 C ATOM 2470 CG ASN A 158 15.705 0.708 -7.050 1.00 2.55 C ATOM 2471 OD1 ASN A 158 15.954 0.527 -8.327 1.00 2.99 O flip ATOM 2472 ND2 ASN A 158 16.587 0.704 -6.193 1.00 2.94 N flip ATOM 0 H ASN A 158 11.857 1.683 -6.448 1.00 1.40 H new ATOM 0 HA ASN A 158 14.512 2.844 -5.854 1.00 1.79 H new ATOM 0 HB2 ASN A 158 14.066 0.361 -5.742 1.00 2.11 H new ATOM 0 HB3 ASN A 158 13.638 0.404 -7.441 1.00 2.11 H new ATOM 0 HD21 ASN A 158 16.346 0.849 -5.213 1.00 2.94 H new ATOM 0 HD22 ASN A 158 17.559 0.556 -6.463 1.00 2.94 H new ATOM 2479 N ALA A 159 12.734 3.527 -8.345 1.00 1.86 N ATOM 2480 CA ALA A 159 12.662 4.322 -9.564 1.00 2.10 C ATOM 2481 C ALA A 159 13.481 5.599 -9.411 1.00 2.25 C ATOM 2482 O ALA A 159 14.279 5.953 -10.284 1.00 2.52 O ATOM 2483 CB ALA A 159 11.214 4.648 -9.899 1.00 2.14 C ATOM 0 H ALA A 159 11.832 3.355 -7.901 1.00 1.86 H new ATOM 0 HA ALA A 159 13.081 3.741 -10.386 1.00 2.10 H new ATOM 0 HB1 ALA A 159 11.177 5.242 -10.812 1.00 2.14 H new ATOM 0 HB2 ALA A 159 10.657 3.722 -10.045 1.00 2.14 H new ATOM 0 HB3 ALA A 159 10.769 5.213 -9.080 1.00 2.14 H new ATOM 2489 N ALA A 160 13.289 6.278 -8.285 1.00 2.17 N ATOM 2490 CA ALA A 160 14.086 7.453 -7.955 1.00 2.44 C ATOM 2491 C ALA A 160 15.552 7.067 -7.774 1.00 2.55 C ATOM 2492 O ALA A 160 16.456 7.812 -8.159 1.00 2.87 O ATOM 2493 CB ALA A 160 13.550 8.117 -6.698 1.00 2.45 C ATOM 0 H ALA A 160 12.588 6.034 -7.585 1.00 2.17 H new ATOM 0 HA ALA A 160 14.017 8.164 -8.778 1.00 2.44 H new ATOM 0 HB1 ALA A 160 14.155 8.993 -6.463 1.00 2.45 H new ATOM 0 HB2 ALA A 160 12.516 8.422 -6.860 1.00 2.45 H new ATOM 0 HB3 ALA A 160 13.594 7.413 -5.867 1.00 2.45 H new ATOM 2499 N ALA A 161 15.768 5.885 -7.203 1.00 2.37 N ATOM 2500 CA ALA A 161 17.109 5.353 -6.995 1.00 2.60 C ATOM 2501 C ALA A 161 17.848 5.218 -8.320 1.00 2.85 C ATOM 2502 O ALA A 161 18.987 5.660 -8.451 1.00 3.20 O ATOM 2503 CB ALA A 161 17.034 4.002 -6.292 1.00 2.50 C ATOM 0 H ALA A 161 15.022 5.273 -6.873 1.00 2.37 H new ATOM 0 HA ALA A 161 17.662 6.050 -6.365 1.00 2.60 H new ATOM 0 HB1 ALA A 161 18.041 3.614 -6.142 1.00 2.50 H new ATOM 0 HB2 ALA A 161 16.543 4.121 -5.326 1.00 2.50 H new ATOM 0 HB3 ALA A 161 16.464 3.304 -6.905 1.00 2.50 H new ATOM 2509 N GLU A 162 17.180 4.620 -9.300 1.00 2.76 N ATOM 2510 CA GLU A 162 17.755 4.428 -10.626 1.00 3.08 C ATOM 2511 C GLU A 162 17.921 5.758 -11.354 1.00 3.31 C ATOM 2512 O GLU A 162 18.848 5.927 -12.142 1.00 3.67 O ATOM 2513 CB GLU A 162 16.879 3.487 -11.453 1.00 3.06 C ATOM 2514 CG GLU A 162 16.766 2.094 -10.861 1.00 3.25 C ATOM 2515 CD GLU A 162 15.854 1.189 -11.659 1.00 3.48 C ATOM 2516 OE1 GLU A 162 14.635 1.184 -11.392 1.00 3.72 O ATOM 2517 OE2 GLU A 162 16.349 0.481 -12.562 1.00 3.71 O ATOM 0 H GLU A 162 16.232 4.257 -9.199 1.00 2.76 H new ATOM 0 HA GLU A 162 18.742 3.982 -10.501 1.00 3.08 H new ATOM 0 HB2 GLU A 162 15.882 3.917 -11.544 1.00 3.06 H new ATOM 0 HB3 GLU A 162 17.288 3.414 -12.461 1.00 3.06 H new ATOM 0 HG2 GLU A 162 17.758 1.646 -10.807 1.00 3.25 H new ATOM 0 HG3 GLU A 162 16.393 2.168 -9.839 1.00 3.25 H new ATOM 2524 N SER A 163 17.026 6.697 -11.076 1.00 3.19 N ATOM 2525 CA SER A 163 17.090 8.017 -11.688 1.00 3.52 C ATOM 2526 C SER A 163 18.391 8.727 -11.315 1.00 3.81 C ATOM 2527 O SER A 163 19.086 9.267 -12.175 1.00 4.18 O ATOM 2528 CB SER A 163 15.884 8.858 -11.262 1.00 3.44 C ATOM 2529 OG SER A 163 14.668 8.277 -11.711 1.00 3.87 O ATOM 0 H SER A 163 16.247 6.569 -10.430 1.00 3.19 H new ATOM 0 HA SER A 163 17.068 7.893 -12.771 1.00 3.52 H new ATOM 0 HB2 SER A 163 15.867 8.950 -10.176 1.00 3.44 H new ATOM 0 HB3 SER A 163 15.979 9.866 -11.666 1.00 3.44 H new ATOM 0 HG SER A 163 14.558 7.392 -11.304 1.00 3.87 H new ATOM 2535 N ARG A 164 18.726 8.713 -10.031 1.00 3.70 N ATOM 2536 CA ARG A 164 19.948 9.354 -9.557 1.00 4.07 C ATOM 2537 C ARG A 164 21.130 8.387 -9.551 1.00 4.24 C ATOM 2538 O ARG A 164 22.243 8.770 -9.192 1.00 4.61 O ATOM 2539 CB ARG A 164 19.746 9.949 -8.159 1.00 4.05 C ATOM 2540 CG ARG A 164 19.324 11.412 -8.174 1.00 4.12 C ATOM 2541 CD ARG A 164 17.918 11.604 -8.721 1.00 4.41 C ATOM 2542 NE ARG A 164 16.889 11.308 -7.725 1.00 4.73 N ATOM 2543 CZ ARG A 164 15.584 11.504 -7.924 1.00 5.32 C ATOM 2544 NH1 ARG A 164 15.141 11.882 -9.117 1.00 5.65 N ATOM 2545 NH2 ARG A 164 14.720 11.307 -6.936 1.00 5.82 N ATOM 0 H ARG A 164 18.171 8.267 -9.301 1.00 3.70 H new ATOM 0 HA ARG A 164 20.178 10.160 -10.253 1.00 4.07 H new ATOM 0 HB2 ARG A 164 18.990 9.367 -7.631 1.00 4.05 H new ATOM 0 HB3 ARG A 164 20.674 9.853 -7.595 1.00 4.05 H new ATOM 0 HG2 ARG A 164 19.375 11.812 -7.161 1.00 4.12 H new ATOM 0 HG3 ARG A 164 20.028 11.984 -8.779 1.00 4.12 H new ATOM 0 HD2 ARG A 164 17.802 12.632 -9.066 1.00 4.41 H new ATOM 0 HD3 ARG A 164 17.777 10.959 -9.588 1.00 4.41 H new ATOM 0 HE ARG A 164 17.186 10.930 -6.826 1.00 4.73 H new ATOM 0 HH11 ARG A 164 15.798 12.023 -9.884 1.00 5.65 H new ATOM 0 HH12 ARG A 164 14.143 12.031 -9.267 1.00 5.65 H new ATOM 0 HH21 ARG A 164 15.053 11.005 -6.020 1.00 5.82 H new ATOM 0 HH22 ARG A 164 13.723 11.458 -7.092 1.00 5.82 H new ATOM 2559 N LYS A 165 20.891 7.145 -9.963 1.00 4.03 N ATOM 2560 CA LYS A 165 21.921 6.106 -9.932 1.00 4.26 C ATOM 2561 C LYS A 165 23.089 6.446 -10.850 1.00 4.49 C ATOM 2562 O LYS A 165 24.252 6.270 -10.479 1.00 4.77 O ATOM 2563 CB LYS A 165 21.333 4.751 -10.342 1.00 4.10 C ATOM 2564 CG LYS A 165 22.362 3.630 -10.375 1.00 4.47 C ATOM 2565 CD LYS A 165 21.795 2.344 -10.949 1.00 4.47 C ATOM 2566 CE LYS A 165 20.717 1.749 -10.058 1.00 4.43 C ATOM 2567 NZ LYS A 165 20.260 0.425 -10.556 1.00 4.72 N ATOM 0 H LYS A 165 19.990 6.831 -10.324 1.00 4.03 H new ATOM 0 HA LYS A 165 22.290 6.049 -8.908 1.00 4.26 H new ATOM 0 HB2 LYS A 165 20.537 4.483 -9.647 1.00 4.10 H new ATOM 0 HB3 LYS A 165 20.877 4.845 -11.328 1.00 4.10 H new ATOM 0 HG2 LYS A 165 23.219 3.944 -10.971 1.00 4.47 H new ATOM 0 HG3 LYS A 165 22.727 3.445 -9.365 1.00 4.47 H new ATOM 0 HD2 LYS A 165 21.380 2.540 -11.938 1.00 4.47 H new ATOM 0 HD3 LYS A 165 22.599 1.619 -11.078 1.00 4.47 H new ATOM 0 HE2 LYS A 165 21.101 1.643 -9.043 1.00 4.43 H new ATOM 0 HE3 LYS A 165 19.869 2.432 -10.008 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 19.525 0.051 -9.923 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 19.870 0.530 -11.515 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 21.065 -0.234 -10.580 1.00 4.72 H new ATOM 2581 N GLY A 166 22.772 6.931 -12.043 1.00 4.45 N ATOM 2582 CA GLY A 166 23.791 7.206 -13.037 1.00 4.72 C ATOM 2583 C GLY A 166 24.837 8.182 -12.550 1.00 4.91 C ATOM 2584 O GLY A 166 26.024 7.851 -12.480 1.00 5.10 O ATOM 0 H GLY A 166 21.819 7.140 -12.342 1.00 4.45 H new ATOM 0 HA2 GLY A 166 24.276 6.272 -13.321 1.00 4.72 H new ATOM 0 HA3 GLY A 166 23.318 7.605 -13.934 1.00 4.72 H new ATOM 2588 N GLN A 167 24.399 9.376 -12.189 1.00 4.92 N ATOM 2589 CA GLN A 167 25.311 10.426 -11.761 1.00 5.16 C ATOM 2590 C GLN A 167 25.901 10.143 -10.384 1.00 5.19 C ATOM 2591 O GLN A 167 26.917 10.727 -10.009 1.00 5.45 O ATOM 2592 CB GLN A 167 24.608 11.779 -11.767 1.00 5.30 C ATOM 2593 CG GLN A 167 23.339 11.818 -10.933 1.00 5.16 C ATOM 2594 CD GLN A 167 22.688 13.185 -10.929 1.00 5.42 C ATOM 2595 OE1 GLN A 167 22.794 13.941 -11.895 1.00 5.60 O ATOM 2596 NE2 GLN A 167 22.018 13.513 -9.838 1.00 5.72 N ATOM 0 H GLN A 167 23.415 9.644 -12.183 1.00 4.92 H new ATOM 0 HA GLN A 167 26.136 10.449 -12.473 1.00 5.16 H new ATOM 0 HB2 GLN A 167 25.298 12.537 -11.396 1.00 5.30 H new ATOM 0 HB3 GLN A 167 24.363 12.046 -12.795 1.00 5.30 H new ATOM 0 HG2 GLN A 167 22.632 11.084 -11.319 1.00 5.16 H new ATOM 0 HG3 GLN A 167 23.572 11.528 -9.909 1.00 5.16 H new ATOM 0 HE21 GLN A 167 21.956 12.855 -9.061 1.00 5.72 H new ATOM 0 HE22 GLN A 167 21.563 14.424 -9.773 1.00 5.72 H new ATOM 2605 N GLU A 168 25.277 9.238 -9.642 1.00 5.02 N ATOM 2606 CA GLU A 168 25.783 8.846 -8.332 1.00 5.17 C ATOM 2607 C GLU A 168 27.075 8.052 -8.487 1.00 5.30 C ATOM 2608 O GLU A 168 27.858 7.913 -7.547 1.00 5.55 O ATOM 2609 CB GLU A 168 24.741 8.007 -7.589 1.00 5.10 C ATOM 2610 CG GLU A 168 25.070 7.764 -6.125 1.00 5.39 C ATOM 2611 CD GLU A 168 25.113 9.047 -5.322 1.00 5.63 C ATOM 2612 OE1 GLU A 168 24.051 9.681 -5.139 1.00 5.81 O ATOM 2613 OE2 GLU A 168 26.213 9.427 -4.867 1.00 5.88 O ATOM 0 H GLU A 168 24.420 8.761 -9.924 1.00 5.02 H new ATOM 0 HA GLU A 168 25.986 9.747 -7.753 1.00 5.17 H new ATOM 0 HB2 GLU A 168 23.774 8.506 -7.655 1.00 5.10 H new ATOM 0 HB3 GLU A 168 24.639 7.045 -8.092 1.00 5.10 H new ATOM 0 HG2 GLU A 168 24.326 7.094 -5.695 1.00 5.39 H new ATOM 0 HG3 GLU A 168 26.034 7.260 -6.051 1.00 5.39 H new ATOM 2620 N ARG A 169 27.304 7.544 -9.689 1.00 5.23 N ATOM 2621 CA ARG A 169 28.476 6.724 -9.948 1.00 5.45 C ATOM 2622 C ARG A 169 29.621 7.611 -10.422 1.00 5.78 C ATOM 2623 O ARG A 169 30.788 7.240 -10.349 1.00 6.09 O ATOM 2624 CB ARG A 169 28.140 5.642 -10.985 1.00 5.37 C ATOM 2625 CG ARG A 169 29.049 4.419 -10.937 1.00 5.66 C ATOM 2626 CD ARG A 169 30.362 4.652 -11.661 1.00 6.08 C ATOM 2627 NE ARG A 169 31.346 3.617 -11.355 1.00 6.39 N ATOM 2628 CZ ARG A 169 32.646 3.724 -11.620 1.00 6.90 C ATOM 2629 NH1 ARG A 169 33.115 4.793 -12.252 1.00 7.13 N ATOM 2630 NH2 ARG A 169 33.474 2.753 -11.258 1.00 7.34 N ATOM 0 H ARG A 169 26.696 7.685 -10.496 1.00 5.23 H new ATOM 0 HA ARG A 169 28.787 6.223 -9.031 1.00 5.45 H new ATOM 0 HB2 ARG A 169 27.110 5.320 -10.835 1.00 5.37 H new ATOM 0 HB3 ARG A 169 28.195 6.081 -11.981 1.00 5.37 H new ATOM 0 HG2 ARG A 169 29.250 4.159 -9.898 1.00 5.66 H new ATOM 0 HG3 ARG A 169 28.535 3.569 -11.385 1.00 5.66 H new ATOM 0 HD2 ARG A 169 30.184 4.677 -12.736 1.00 6.08 H new ATOM 0 HD3 ARG A 169 30.762 5.627 -11.382 1.00 6.08 H new ATOM 0 HE ARG A 169 31.017 2.760 -10.911 1.00 6.39 H new ATOM 0 HH11 ARG A 169 32.478 5.537 -12.537 1.00 7.13 H new ATOM 0 HH12 ARG A 169 34.112 4.870 -12.453 1.00 7.13 H new ATOM 0 HH21 ARG A 169 33.114 1.928 -10.778 1.00 7.34 H new ATOM 0 HH22 ARG A 169 34.471 2.831 -11.459 1.00 7.34 H new ATOM 2644 N LEU A 170 29.278 8.814 -10.857 1.00 5.79 N ATOM 2645 CA LEU A 170 30.250 9.748 -11.397 1.00 6.19 C ATOM 2646 C LEU A 170 30.880 10.584 -10.289 1.00 6.32 C ATOM 2647 O LEU A 170 31.316 11.712 -10.516 1.00 6.79 O ATOM 2648 CB LEU A 170 29.577 10.650 -12.425 1.00 6.33 C ATOM 2649 CG LEU A 170 29.539 10.109 -13.857 1.00 6.61 C ATOM 2650 CD1 LEU A 170 30.942 9.781 -14.339 1.00 6.97 C ATOM 2651 CD2 LEU A 170 28.645 8.883 -13.955 1.00 6.43 C ATOM 0 H LEU A 170 28.321 9.168 -10.845 1.00 5.79 H new ATOM 0 HA LEU A 170 31.045 9.181 -11.881 1.00 6.19 H new ATOM 0 HB2 LEU A 170 28.554 10.840 -12.100 1.00 6.33 H new ATOM 0 HB3 LEU A 170 30.093 11.610 -12.432 1.00 6.33 H new ATOM 0 HG LEU A 170 29.121 10.885 -14.499 1.00 6.61 H new ATOM 0 HD11 LEU A 170 30.896 9.398 -15.358 1.00 6.97 H new ATOM 0 HD12 LEU A 170 31.554 10.683 -14.317 1.00 6.97 H new ATOM 0 HD13 LEU A 170 31.384 9.027 -13.687 1.00 6.97 H new ATOM 0 HD21 LEU A 170 28.637 8.520 -14.983 1.00 6.43 H new ATOM 0 HD22 LEU A 170 29.026 8.102 -13.297 1.00 6.43 H new ATOM 0 HD23 LEU A 170 27.631 9.147 -13.655 1.00 6.43 H new ATOM 2663 N GLU A 171 30.952 10.006 -9.099 1.00 6.03 N ATOM 2664 CA GLU A 171 31.486 10.695 -7.931 1.00 6.27 C ATOM 2665 C GLU A 171 33.010 10.554 -7.869 1.00 6.70 C ATOM 2666 O GLU A 171 33.662 11.094 -6.975 1.00 6.90 O ATOM 2667 CB GLU A 171 30.834 10.132 -6.663 1.00 6.34 C ATOM 2668 CG GLU A 171 31.184 10.890 -5.392 1.00 6.31 C ATOM 2669 CD GLU A 171 30.483 10.331 -4.174 1.00 6.67 C ATOM 2670 OE1 GLU A 171 30.787 9.186 -3.783 1.00 6.97 O ATOM 2671 OE2 GLU A 171 29.635 11.040 -3.593 1.00 6.91 O ATOM 0 H GLU A 171 30.644 9.051 -8.915 1.00 6.03 H new ATOM 0 HA GLU A 171 31.254 11.757 -8.006 1.00 6.27 H new ATOM 0 HB2 GLU A 171 29.752 10.140 -6.791 1.00 6.34 H new ATOM 0 HB3 GLU A 171 31.134 9.091 -6.546 1.00 6.34 H new ATOM 0 HG2 GLU A 171 32.262 10.853 -5.236 1.00 6.31 H new ATOM 0 HG3 GLU A 171 30.915 11.939 -5.513 1.00 6.31 H new ATOM 2678 N HIS A 172 33.579 9.850 -8.846 1.00 7.18 N ATOM 2679 CA HIS A 172 35.029 9.642 -8.902 1.00 7.91 C ATOM 2680 C HIS A 172 35.734 10.925 -9.335 1.00 8.34 C ATOM 2681 O HIS A 172 36.963 11.007 -9.343 1.00 8.55 O ATOM 2682 CB HIS A 172 35.386 8.503 -9.865 1.00 8.43 C ATOM 2683 CG HIS A 172 34.875 7.161 -9.437 1.00 8.65 C ATOM 2684 ND1 HIS A 172 33.612 6.698 -9.290 1.00 8.91 N flip ATOM 2685 CD2 HIS A 172 35.702 6.110 -9.113 1.00 8.94 C flip ATOM 2686 CE1 HIS A 172 33.699 5.391 -8.886 1.00 9.32 C flip ATOM 2687 NE2 HIS A 172 34.971 5.061 -8.788 1.00 9.35 N flip ATOM 0 H HIS A 172 33.061 9.414 -9.609 1.00 7.18 H new ATOM 0 HA HIS A 172 35.366 9.368 -7.902 1.00 7.91 H new ATOM 0 HB2 HIS A 172 34.985 8.736 -10.851 1.00 8.43 H new ATOM 0 HB3 HIS A 172 36.470 8.452 -9.966 1.00 8.43 H new ATOM 0 HD1 HIS A 172 32.753 7.225 -9.450 1.00 8.91 H new ATOM 0 HD2 HIS A 172 36.782 6.139 -9.123 1.00 8.94 H new ATOM 0 HE1 HIS A 172 32.863 4.739 -8.682 1.00 9.32 H new ATOM 2696 N HIS A 173 34.933 11.912 -9.705 1.00 8.71 N ATOM 2697 CA HIS A 173 35.416 13.234 -10.070 1.00 9.35 C ATOM 2698 C HIS A 173 34.274 14.222 -9.909 1.00 9.73 C ATOM 2699 O HIS A 173 33.142 13.809 -9.655 1.00 10.12 O ATOM 2700 CB HIS A 173 35.956 13.260 -11.510 1.00 9.85 C ATOM 2701 CG HIS A 173 35.005 12.743 -12.554 1.00 10.34 C ATOM 2702 ND1 HIS A 173 35.333 11.729 -13.425 1.00 10.84 N ATOM 2703 CD2 HIS A 173 33.744 13.118 -12.882 1.00 10.66 C ATOM 2704 CE1 HIS A 173 34.323 11.505 -14.240 1.00 11.40 C ATOM 2705 NE2 HIS A 173 33.344 12.333 -13.934 1.00 11.31 N ATOM 0 H HIS A 173 33.919 11.816 -9.761 1.00 8.71 H new ATOM 0 HA HIS A 173 36.244 13.507 -9.416 1.00 9.35 H new ATOM 0 HB2 HIS A 173 36.227 14.285 -11.762 1.00 9.85 H new ATOM 0 HB3 HIS A 173 36.871 12.670 -11.550 1.00 9.85 H new ATOM 0 HD1 HIS A 173 36.221 11.228 -13.437 1.00 10.84 H new ATOM 0 HD2 HIS A 173 33.162 13.892 -12.404 1.00 10.66 H new ATOM 0 HE1 HIS A 173 34.301 10.766 -15.028 1.00 11.40 H new ATOM 2714 N HIS A 174 34.540 15.508 -10.059 1.00 9.86 N ATOM 2715 CA HIS A 174 33.475 16.491 -9.927 1.00 10.40 C ATOM 2716 C HIS A 174 32.671 16.569 -11.220 1.00 11.06 C ATOM 2717 O HIS A 174 33.020 17.305 -12.142 1.00 11.27 O ATOM 2718 CB HIS A 174 34.017 17.870 -9.542 1.00 10.58 C ATOM 2719 CG HIS A 174 32.949 18.794 -9.035 1.00 10.83 C ATOM 2720 ND1 HIS A 174 32.781 20.087 -9.484 1.00 11.12 N ATOM 2721 CD2 HIS A 174 31.984 18.595 -8.104 1.00 11.10 C ATOM 2722 CE1 HIS A 174 31.759 20.640 -8.853 1.00 11.52 C ATOM 2723 NE2 HIS A 174 31.259 19.756 -8.012 1.00 11.52 N ATOM 0 H HIS A 174 35.462 15.892 -10.268 1.00 9.86 H new ATOM 0 HA HIS A 174 32.819 16.166 -9.119 1.00 10.40 H new ATOM 0 HB2 HIS A 174 34.784 17.753 -8.776 1.00 10.58 H new ATOM 0 HB3 HIS A 174 34.499 18.321 -10.409 1.00 10.58 H new ATOM 0 HD2 HIS A 174 31.817 17.690 -7.539 1.00 11.10 H new ATOM 0 HE1 HIS A 174 31.395 21.646 -9.001 1.00 11.52 H new ATOM 0 HE2 HIS A 174 30.463 19.910 -7.394 1.00 11.52 H new ATOM 2732 N HIS A 175 31.610 15.774 -11.288 1.00 11.59 N ATOM 2733 CA HIS A 175 30.759 15.725 -12.473 1.00 12.41 C ATOM 2734 C HIS A 175 29.830 16.931 -12.502 1.00 12.84 C ATOM 2735 O HIS A 175 29.269 17.314 -11.477 1.00 13.21 O ATOM 2736 CB HIS A 175 29.947 14.415 -12.520 1.00 12.99 C ATOM 2737 CG HIS A 175 28.937 14.253 -11.416 1.00 13.51 C ATOM 2738 ND1 HIS A 175 29.095 14.120 -10.078 1.00 13.89 N flip ATOM 2739 CD2 HIS A 175 27.576 14.197 -11.641 1.00 13.89 C flip ATOM 2740 CE1 HIS A 175 27.846 13.990 -9.532 1.00 14.46 C flip ATOM 2741 NE2 HIS A 175 26.947 14.042 -10.492 1.00 14.48 N flip ATOM 0 H HIS A 175 31.317 15.152 -10.534 1.00 11.59 H new ATOM 0 HA HIS A 175 31.399 15.753 -13.355 1.00 12.41 H new ATOM 0 HB2 HIS A 175 29.429 14.361 -13.477 1.00 12.99 H new ATOM 0 HB3 HIS A 175 30.640 13.574 -12.485 1.00 12.99 H new ATOM 0 HD1 HIS A 175 29.980 14.117 -9.571 1.00 13.89 H new ATOM 0 HD2 HIS A 175 27.100 14.269 -12.608 1.00 13.89 H new ATOM 0 HE1 HIS A 175 27.632 13.865 -8.481 1.00 14.46 H new ATOM 2750 N HIS A 176 29.680 17.535 -13.671 1.00 12.98 N ATOM 2751 CA HIS A 176 28.864 18.734 -13.807 1.00 13.55 C ATOM 2752 C HIS A 176 27.460 18.387 -14.273 1.00 13.90 C ATOM 2753 O HIS A 176 26.481 18.783 -13.644 1.00 14.09 O ATOM 2754 CB HIS A 176 29.505 19.722 -14.786 1.00 13.99 C ATOM 2755 CG HIS A 176 30.724 20.407 -14.248 1.00 14.45 C ATOM 2756 ND1 HIS A 176 30.883 21.776 -14.260 1.00 14.88 N ATOM 2757 CD2 HIS A 176 31.849 19.905 -13.687 1.00 14.71 C ATOM 2758 CE1 HIS A 176 32.051 22.085 -13.728 1.00 15.37 C ATOM 2759 NE2 HIS A 176 32.654 20.968 -13.374 1.00 15.28 N ATOM 0 H HIS A 176 30.111 17.216 -14.538 1.00 12.98 H new ATOM 0 HA HIS A 176 28.801 19.202 -12.825 1.00 13.55 H new ATOM 0 HB2 HIS A 176 29.772 19.191 -15.700 1.00 13.99 H new ATOM 0 HB3 HIS A 176 28.768 20.477 -15.060 1.00 13.99 H new ATOM 0 HD2 HIS A 176 32.070 18.862 -13.518 1.00 14.71 H new ATOM 0 HE1 HIS A 176 32.445 23.083 -13.604 1.00 15.37 H new ATOM 0 HE2 HIS A 176 33.573 20.905 -12.937 1.00 15.28 H new ATOM 2768 N HIS A 177 27.383 17.636 -15.369 1.00 14.14 N ATOM 2769 CA HIS A 177 26.111 17.276 -15.995 1.00 14.65 C ATOM 2770 C HIS A 177 25.367 18.526 -16.462 1.00 15.60 C ATOM 2771 O HIS A 177 24.680 19.188 -15.681 1.00 16.02 O ATOM 2772 CB HIS A 177 25.236 16.445 -15.043 1.00 14.60 C ATOM 2773 CG HIS A 177 23.911 16.051 -15.626 1.00 14.47 C ATOM 2774 ND1 HIS A 177 23.774 15.073 -16.584 1.00 14.51 N ATOM 2775 CD2 HIS A 177 22.663 16.521 -15.391 1.00 14.51 C ATOM 2776 CE1 HIS A 177 22.503 14.960 -16.915 1.00 14.56 C ATOM 2777 NE2 HIS A 177 21.805 15.827 -16.206 1.00 14.56 N ATOM 0 H HIS A 177 28.200 17.259 -15.849 1.00 14.14 H new ATOM 0 HA HIS A 177 26.330 16.660 -16.867 1.00 14.65 H new ATOM 0 HB2 HIS A 177 25.779 15.544 -14.759 1.00 14.60 H new ATOM 0 HB3 HIS A 177 25.065 17.016 -14.130 1.00 14.60 H new ATOM 0 HD2 HIS A 177 22.393 17.298 -14.691 1.00 14.51 H new ATOM 0 HE1 HIS A 177 22.100 14.273 -17.644 1.00 14.56 H new ATOM 0 HE2 HIS A 177 20.795 15.959 -16.256 1.00 14.56 H new ATOM 2786 N LEU A 178 25.525 18.847 -17.734 1.00 16.06 N ATOM 2787 CA LEU A 178 24.873 20.011 -18.311 1.00 17.08 C ATOM 2788 C LEU A 178 23.374 19.790 -18.405 1.00 17.58 C ATOM 2789 O LEU A 178 22.912 18.759 -18.897 1.00 17.74 O ATOM 2790 CB LEU A 178 25.447 20.322 -19.695 1.00 17.47 C ATOM 2791 CG LEU A 178 26.930 20.699 -19.713 1.00 17.56 C ATOM 2792 CD1 LEU A 178 27.392 20.982 -21.132 1.00 17.99 C ATOM 2793 CD2 LEU A 178 27.182 21.905 -18.820 1.00 17.68 C ATOM 0 H LEU A 178 26.100 18.317 -18.389 1.00 16.06 H new ATOM 0 HA LEU A 178 25.061 20.863 -17.658 1.00 17.08 H new ATOM 0 HB2 LEU A 178 25.301 19.452 -20.335 1.00 17.47 H new ATOM 0 HB3 LEU A 178 24.875 21.140 -20.133 1.00 17.47 H new ATOM 0 HG LEU A 178 27.504 19.857 -19.327 1.00 17.56 H new ATOM 0 HD11 LEU A 178 28.449 21.248 -21.124 1.00 17.99 H new ATOM 0 HD12 LEU A 178 27.246 20.093 -21.746 1.00 17.99 H new ATOM 0 HD13 LEU A 178 26.813 21.808 -21.545 1.00 17.99 H new ATOM 0 HD21 LEU A 178 28.241 22.160 -18.844 1.00 17.68 H new ATOM 0 HD22 LEU A 178 26.597 22.752 -19.178 1.00 17.68 H new ATOM 0 HD23 LEU A 178 26.889 21.668 -17.797 1.00 17.68 H new ATOM 2805 N GLU A 179 22.620 20.755 -17.917 1.00 17.95 N ATOM 2806 CA GLU A 179 21.171 20.688 -17.952 1.00 18.57 C ATOM 2807 C GLU A 179 20.638 21.766 -18.880 1.00 19.13 C ATOM 2808 O GLU A 179 20.642 22.947 -18.532 1.00 19.11 O ATOM 2809 CB GLU A 179 20.599 20.878 -16.549 1.00 18.91 C ATOM 2810 CG GLU A 179 21.117 19.873 -15.536 1.00 18.77 C ATOM 2811 CD GLU A 179 20.640 20.174 -14.134 1.00 18.94 C ATOM 2812 OE1 GLU A 179 19.518 19.754 -13.781 1.00 18.93 O ATOM 2813 OE2 GLU A 179 21.389 20.823 -13.375 1.00 19.19 O ATOM 0 H GLU A 179 22.991 21.603 -17.488 1.00 17.95 H new ATOM 0 HA GLU A 179 20.867 19.709 -18.321 1.00 18.57 H new ATOM 0 HB2 GLU A 179 20.836 21.884 -16.203 1.00 18.91 H new ATOM 0 HB3 GLU A 179 19.512 20.805 -16.597 1.00 18.91 H new ATOM 0 HG2 GLU A 179 20.792 18.873 -15.821 1.00 18.77 H new ATOM 0 HG3 GLU A 179 22.207 19.871 -15.554 1.00 18.77 H new ATOM 2820 N HIS A 180 20.206 21.367 -20.063 1.00 19.74 N ATOM 2821 CA HIS A 180 19.744 22.320 -21.058 1.00 20.41 C ATOM 2822 C HIS A 180 18.241 22.538 -20.939 1.00 20.84 C ATOM 2823 O HIS A 180 17.439 21.698 -21.350 1.00 21.13 O ATOM 2824 CB HIS A 180 20.101 21.840 -22.465 1.00 21.03 C ATOM 2825 CG HIS A 180 19.964 22.900 -23.514 1.00 21.37 C ATOM 2826 ND1 HIS A 180 18.801 23.126 -24.213 1.00 21.96 N ATOM 2827 CD2 HIS A 180 20.861 23.798 -23.981 1.00 21.34 C ATOM 2828 CE1 HIS A 180 18.987 24.116 -25.064 1.00 22.26 C ATOM 2829 NE2 HIS A 180 20.230 24.543 -24.944 1.00 21.90 N ATOM 0 H HIS A 180 20.165 20.392 -20.358 1.00 19.74 H new ATOM 0 HA HIS A 180 20.245 23.271 -20.877 1.00 20.41 H new ATOM 0 HB2 HIS A 180 21.127 21.472 -22.465 1.00 21.03 H new ATOM 0 HB3 HIS A 180 19.460 20.998 -22.726 1.00 21.03 H new ATOM 0 HD2 HIS A 180 21.885 23.908 -23.656 1.00 21.34 H new ATOM 0 HE1 HIS A 180 18.247 24.511 -25.744 1.00 22.26 H new ATOM 0 HE2 HIS A 180 20.652 25.302 -25.479 1.00 21.90 H new ATOM 2838 N HIS A 181 17.871 23.658 -20.347 1.00 20.99 N ATOM 2839 CA HIS A 181 16.475 24.043 -20.231 1.00 21.54 C ATOM 2840 C HIS A 181 16.304 25.499 -20.657 1.00 22.31 C ATOM 2841 O HIS A 181 15.232 25.908 -21.095 1.00 22.51 O ATOM 2842 CB HIS A 181 15.986 23.839 -18.793 1.00 21.37 C ATOM 2843 CG HIS A 181 14.535 24.159 -18.589 1.00 21.01 C ATOM 2844 ND1 HIS A 181 14.093 25.071 -17.656 1.00 20.83 N ATOM 2845 CD2 HIS A 181 13.427 23.673 -19.191 1.00 20.92 C ATOM 2846 CE1 HIS A 181 12.776 25.131 -17.693 1.00 20.64 C ATOM 2847 NE2 HIS A 181 12.345 24.294 -18.617 1.00 20.70 N ATOM 0 H HIS A 181 18.525 24.324 -19.935 1.00 20.99 H new ATOM 0 HA HIS A 181 15.875 23.413 -20.888 1.00 21.54 H new ATOM 0 HB2 HIS A 181 16.163 22.803 -18.504 1.00 21.37 H new ATOM 0 HB3 HIS A 181 16.582 24.462 -18.126 1.00 21.37 H new ATOM 0 HD2 HIS A 181 13.398 22.933 -19.978 1.00 20.92 H new ATOM 0 HE1 HIS A 181 12.155 25.759 -17.072 1.00 20.64 H new ATOM 0 HE2 HIS A 181 11.368 24.134 -18.864 1.00 20.70 H new ATOM 2856 N HIS A 182 17.370 26.274 -20.522 1.00 22.83 N ATOM 2857 CA HIS A 182 17.354 27.666 -20.943 1.00 23.69 C ATOM 2858 C HIS A 182 17.552 27.765 -22.449 1.00 24.16 C ATOM 2859 O HIS A 182 18.375 27.054 -23.030 1.00 24.40 O ATOM 2860 CB HIS A 182 18.434 28.472 -20.215 1.00 24.01 C ATOM 2861 CG HIS A 182 18.231 28.546 -18.733 1.00 24.24 C ATOM 2862 ND1 HIS A 182 19.182 28.148 -17.822 1.00 24.67 N ATOM 2863 CD2 HIS A 182 17.175 28.975 -18.005 1.00 24.22 C ATOM 2864 CE1 HIS A 182 18.721 28.328 -16.599 1.00 24.89 C ATOM 2865 NE2 HIS A 182 17.503 28.829 -16.680 1.00 24.63 N ATOM 0 H HIS A 182 18.256 25.962 -20.124 1.00 22.83 H new ATOM 0 HA HIS A 182 16.382 28.086 -20.685 1.00 23.69 H new ATOM 0 HB2 HIS A 182 19.407 28.025 -20.418 1.00 24.01 H new ATOM 0 HB3 HIS A 182 18.456 29.483 -20.621 1.00 24.01 H new ATOM 0 HD2 HIS A 182 16.245 29.361 -18.394 1.00 24.22 H new ATOM 0 HE1 HIS A 182 19.251 28.103 -15.685 1.00 24.89 H new ATOM 0 HE2 HIS A 182 16.905 29.068 -15.889 1.00 24.63 H new ATOM 2874 N HIS A 183 16.793 28.643 -23.076 1.00 24.38 N ATOM 2875 CA HIS A 183 16.843 28.809 -24.519 1.00 24.93 C ATOM 2876 C HIS A 183 17.609 30.073 -24.883 1.00 25.44 C ATOM 2877 O HIS A 183 18.125 30.771 -24.008 1.00 25.58 O ATOM 2878 CB HIS A 183 15.427 28.872 -25.100 1.00 25.08 C ATOM 2879 CG HIS A 183 14.655 27.600 -24.936 1.00 25.22 C ATOM 2880 ND1 HIS A 183 13.901 27.315 -23.819 1.00 25.36 N ATOM 2881 CD2 HIS A 183 14.527 26.532 -25.754 1.00 25.35 C ATOM 2882 CE1 HIS A 183 13.346 26.127 -23.957 1.00 25.56 C ATOM 2883 NE2 HIS A 183 13.708 25.631 -25.123 1.00 25.56 N ATOM 0 H HIS A 183 16.129 29.258 -22.606 1.00 24.38 H new ATOM 0 HA HIS A 183 17.360 27.949 -24.944 1.00 24.93 H new ATOM 0 HB2 HIS A 183 14.881 29.683 -24.618 1.00 25.08 H new ATOM 0 HB3 HIS A 183 15.489 29.116 -26.161 1.00 25.08 H new ATOM 0 HD2 HIS A 183 14.985 26.411 -26.725 1.00 25.35 H new ATOM 0 HE1 HIS A 183 12.704 25.643 -23.237 1.00 25.56 H new ATOM 0 HE2 HIS A 183 13.425 24.725 -25.496 1.00 25.56 H new ATOM 2892 N HIS A 184 17.704 30.351 -26.171 1.00 25.80 N ATOM 2893 CA HIS A 184 18.324 31.579 -26.639 1.00 26.40 C ATOM 2894 C HIS A 184 17.590 32.100 -27.868 1.00 26.96 C ATOM 2895 O HIS A 184 17.338 31.355 -28.817 1.00 27.37 O ATOM 2896 CB HIS A 184 19.824 31.372 -26.931 1.00 26.76 C ATOM 2897 CG HIS A 184 20.135 30.369 -28.007 1.00 26.84 C ATOM 2898 ND1 HIS A 184 20.376 29.037 -27.749 1.00 26.92 N ATOM 2899 CD2 HIS A 184 20.268 30.516 -29.348 1.00 26.96 C ATOM 2900 CE1 HIS A 184 20.643 28.413 -28.881 1.00 27.09 C ATOM 2901 NE2 HIS A 184 20.582 29.286 -29.868 1.00 27.11 N ATOM 0 H HIS A 184 17.359 29.742 -26.913 1.00 25.80 H new ATOM 0 HA HIS A 184 18.249 32.326 -25.849 1.00 26.40 H new ATOM 0 HB2 HIS A 184 20.258 32.331 -27.214 1.00 26.76 H new ATOM 0 HB3 HIS A 184 20.317 31.058 -26.011 1.00 26.76 H new ATOM 0 HD2 HIS A 184 20.149 31.434 -29.905 1.00 26.96 H new ATOM 0 HE1 HIS A 184 20.873 27.363 -28.982 1.00 27.09 H new ATOM 0 HE2 HIS A 184 20.742 29.081 -30.854 1.00 27.11 H new ATOM 2910 N HIS A 185 17.226 33.369 -27.836 1.00 27.04 N ATOM 2911 CA HIS A 185 16.516 33.979 -28.944 1.00 27.63 C ATOM 2912 C HIS A 185 17.417 34.993 -29.629 1.00 27.78 C ATOM 2913 O HIS A 185 18.099 34.616 -30.602 1.00 27.59 O ATOM 2914 CB HIS A 185 15.224 34.646 -28.456 1.00 28.05 C ATOM 2915 CG HIS A 185 14.362 35.176 -29.566 1.00 28.32 C ATOM 2916 ND1 HIS A 185 13.360 34.439 -30.155 1.00 28.85 N ATOM 2917 CD2 HIS A 185 14.357 36.378 -30.191 1.00 28.21 C ATOM 2918 CE1 HIS A 185 12.779 35.159 -31.095 1.00 29.06 C ATOM 2919 NE2 HIS A 185 13.364 36.341 -31.139 1.00 28.68 N ATOM 2920 OXT HIS A 185 17.458 36.152 -29.182 1.00 28.16 O ATOM 0 H HIS A 185 17.411 33.997 -27.054 1.00 27.04 H new ATOM 0 HA HIS A 185 16.243 33.205 -29.661 1.00 27.63 H new ATOM 0 HB2 HIS A 185 14.650 33.924 -27.875 1.00 28.05 H new ATOM 0 HB3 HIS A 185 15.480 35.465 -27.784 1.00 28.05 H new ATOM 0 HD2 HIS A 185 15.012 37.211 -29.982 1.00 28.21 H new ATOM 0 HE1 HIS A 185 11.962 34.836 -31.723 1.00 29.06 H new ATOM 0 HE2 HIS A 185 13.119 37.102 -31.773 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -19.194 -16.618 -3.238 1.00 3.23 C HETATM 2931 O ACE B1001 -18.901 -15.605 -2.598 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -19.430 -16.517 -4.731 1.00 4.05 C HETATM 0 H1 ACE B1001 -18.718 -17.154 -5.256 1.00 4.05 H new HETATM 0 H2 ACE B1001 -20.445 -16.840 -4.962 1.00 4.05 H new HETATM 0 H3 ACE B1001 -19.297 -15.484 -5.051 1.00 4.05 H new ATOM 2936 N GLY B1002 -19.294 -17.806 -2.652 1.00 2.68 N ATOM 2937 CA GLY B1002 -19.102 -17.949 -1.221 1.00 2.37 C ATOM 2938 C GLY B1002 -17.638 -18.053 -0.851 1.00 2.24 C ATOM 2939 O GLY B1002 -17.209 -19.030 -0.237 1.00 2.97 O ATOM 0 H GLY B1002 -19.505 -18.674 -3.144 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -19.545 -17.095 -0.709 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -19.628 -18.838 -0.872 1.00 2.37 H new ATOM 2943 N CYS B1003 -16.871 -17.049 -1.238 1.00 1.72 N ATOM 2944 CA CYS B1003 -15.440 -17.027 -0.985 1.00 1.60 C ATOM 2945 C CYS B1003 -15.080 -15.819 -0.138 1.00 1.42 C ATOM 2946 O CYS B1003 -15.817 -15.446 0.771 1.00 1.55 O ATOM 2947 CB CYS B1003 -14.668 -16.956 -2.302 1.00 1.63 C ATOM 2948 SG CYS B1003 -15.208 -18.159 -3.557 1.00 1.94 S ATOM 0 H CYS B1003 -17.220 -16.229 -1.734 1.00 1.72 H new ATOM 0 HA CYS B1003 -15.172 -17.942 -0.456 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -14.767 -15.951 -2.713 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -13.609 -17.114 -2.097 1.00 1.63 H new ATOM 2953 N VAL B1004 -13.942 -15.213 -0.488 1.00 1.37 N ATOM 2954 CA VAL B1004 -13.325 -14.118 0.233 1.00 1.19 C ATOM 2955 C VAL B1004 -13.150 -14.443 1.714 1.00 1.19 C ATOM 2956 O VAL B1004 -13.479 -15.546 2.156 1.00 1.63 O ATOM 2957 CB VAL B1004 -14.047 -12.792 0.014 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -14.480 -12.700 -1.421 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -15.211 -12.594 0.953 1.00 1.42 C ATOM 0 H VAL B1004 -13.412 -15.489 -1.315 1.00 1.37 H new ATOM 0 HA VAL B1004 -12.327 -13.991 -0.186 1.00 1.19 H new ATOM 0 HB VAL B1004 -13.348 -11.986 0.240 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -14.997 -11.755 -1.585 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -13.605 -12.753 -2.069 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -15.153 -13.526 -1.652 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -15.684 -11.634 0.749 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -15.936 -13.394 0.807 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -14.855 -12.611 1.983 1.00 1.42 H new ATOM 2969 N GLY B1005 -12.631 -13.493 2.477 1.00 1.02 N ATOM 2970 CA GLY B1005 -12.038 -13.812 3.777 1.00 1.07 C ATOM 2971 C GLY B1005 -11.088 -15.025 3.757 1.00 1.05 C ATOM 2972 O GLY B1005 -10.622 -15.461 4.808 1.00 1.20 O ATOM 0 H GLY B1005 -12.606 -12.504 2.227 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -11.490 -12.941 4.137 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.838 -14.003 4.492 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.823 -15.576 2.566 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.898 -16.689 2.383 1.00 1.08 C ATOM 2978 C ARG B1006 -9.072 -16.469 1.127 1.00 1.04 C ATOM 2979 O ARG B1006 -7.887 -16.748 1.105 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.644 -18.011 2.211 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.704 -18.274 3.249 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.092 -18.423 4.628 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.082 -18.297 5.695 1.00 1.88 N ATOM 2984 CZ ARG B1006 -11.771 -18.037 6.966 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -10.503 -17.847 7.319 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -12.728 -17.951 7.879 1.00 2.87 N ATOM 0 H ARG B1006 -11.251 -15.255 1.698 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.267 -16.735 3.270 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.108 -18.025 1.225 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.921 -18.826 2.234 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -12.424 -17.456 3.254 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -12.253 -19.180 2.991 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -10.604 -19.395 4.702 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -10.319 -17.667 4.763 1.00 1.55 H new ATOM 0 HE ARG B1006 -13.066 -18.414 5.455 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -9.765 -17.900 6.617 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -10.269 -17.648 8.292 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -13.703 -18.084 7.610 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -12.490 -17.752 8.851 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.727 -15.997 0.068 1.00 1.02 N ATOM 3001 CA ALA B1007 -9.066 -15.783 -1.216 1.00 1.05 C ATOM 3002 C ALA B1007 -7.925 -14.792 -1.090 1.00 1.02 C ATOM 3003 O ALA B1007 -6.775 -15.130 -1.336 1.00 1.31 O ATOM 3004 CB ALA B1007 -10.058 -15.294 -2.257 1.00 1.10 C ATOM 0 H ALA B1007 -10.718 -15.755 0.075 1.00 1.02 H new ATOM 0 HA ALA B1007 -8.657 -16.741 -1.536 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -9.544 -15.141 -3.206 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -10.845 -16.037 -2.386 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -10.498 -14.353 -1.927 1.00 1.10 H new ATOM 3010 N LEU B1008 -8.254 -13.581 -0.689 1.00 0.84 N ATOM 3011 CA LEU B1008 -7.273 -12.517 -0.537 1.00 0.83 C ATOM 3012 C LEU B1008 -6.287 -12.921 0.551 1.00 0.78 C ATOM 3013 O LEU B1008 -5.084 -12.686 0.448 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.969 -11.196 -0.171 1.00 0.90 C ATOM 3015 CG LEU B1008 -9.146 -10.754 -1.066 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -8.733 -10.755 -2.526 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -10.382 -11.624 -0.854 1.00 1.33 C ATOM 0 H LEU B1008 -9.208 -13.303 -0.458 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.742 -12.365 -1.477 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.334 -11.277 0.853 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -7.220 -10.404 -0.181 1.00 0.90 H new ATOM 0 HG LEU B1008 -9.413 -9.737 -0.777 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -9.575 -10.441 -3.143 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -7.901 -10.065 -2.669 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -8.426 -11.760 -2.816 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -11.186 -11.278 -1.503 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -10.143 -12.660 -1.093 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.701 -11.556 0.186 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.837 -13.527 1.595 1.00 0.78 N ATOM 3030 CA ALA B1009 -6.072 -14.136 2.660 1.00 0.78 C ATOM 3031 C ALA B1009 -4.978 -15.038 2.088 1.00 0.80 C ATOM 3032 O ALA B1009 -3.810 -14.945 2.450 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.979 -14.961 3.554 1.00 0.88 C ATOM 0 H ALA B1009 -7.846 -13.607 1.722 1.00 0.78 H new ATOM 0 HA ALA B1009 -5.612 -13.339 3.244 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -6.390 -15.414 4.351 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.744 -14.318 3.989 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -7.455 -15.745 2.965 1.00 0.88 H new ATOM 3039 N ALA B1010 -5.395 -15.903 1.172 1.00 0.89 N ATOM 3040 CA ALA B1010 -4.532 -16.916 0.582 1.00 0.94 C ATOM 3041 C ALA B1010 -3.613 -16.332 -0.490 1.00 0.92 C ATOM 3042 O ALA B1010 -2.429 -16.655 -0.549 1.00 0.92 O ATOM 3043 CB ALA B1010 -5.386 -18.031 -0.005 1.00 1.03 C ATOM 0 H ALA B1010 -6.350 -15.920 0.815 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.894 -17.315 1.370 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -4.740 -18.790 -0.447 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.988 -18.482 0.784 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -6.042 -17.621 -0.773 1.00 1.03 H new ATOM 3049 N PHE B1011 -4.166 -15.478 -1.342 1.00 0.93 N ATOM 3050 CA PHE B1011 -3.391 -14.827 -2.391 1.00 0.93 C ATOM 3051 C PHE B1011 -2.378 -13.861 -1.783 1.00 0.85 C ATOM 3052 O PHE B1011 -1.326 -13.592 -2.362 1.00 0.89 O ATOM 3053 CB PHE B1011 -4.315 -14.088 -3.368 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.969 -14.986 -4.389 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -6.171 -15.628 -4.124 1.00 1.18 C ATOM 3056 CD2 PHE B1011 -4.374 -15.183 -5.622 1.00 1.50 C ATOM 3057 CE1 PHE B1011 -6.757 -16.444 -5.061 1.00 1.32 C ATOM 3058 CE2 PHE B1011 -4.958 -16.001 -6.566 1.00 1.67 C ATOM 3059 CZ PHE B1011 -6.152 -16.635 -6.286 1.00 1.46 C ATOM 0 H PHE B1011 -5.152 -15.219 -1.327 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.851 -15.595 -2.944 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -5.091 -13.574 -2.801 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.740 -13.322 -3.888 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -6.652 -15.484 -3.168 1.00 1.18 H new ATOM 0 HD2 PHE B1011 -3.440 -14.690 -5.848 1.00 1.50 H new ATOM 0 HE1 PHE B1011 -7.692 -16.936 -4.838 1.00 1.32 H new ATOM 0 HE2 PHE B1011 -4.481 -16.146 -7.524 1.00 1.67 H new ATOM 0 HZ PHE B1011 -6.610 -17.278 -7.023 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.706 -13.362 -0.600 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.823 -12.463 0.111 1.00 0.72 C ATOM 3071 C GLY B1012 -0.710 -13.191 0.833 1.00 0.73 C ATOM 3072 O GLY B1012 0.197 -12.565 1.374 1.00 0.78 O ATOM 0 H GLY B1012 -3.580 -13.568 -0.116 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.390 -11.752 -0.593 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -2.402 -11.886 0.832 1.00 0.72 H new ATOM 3076 N ASP B1013 -0.775 -14.516 0.835 1.00 0.78 N ATOM 3077 CA ASP B1013 0.241 -15.332 1.490 1.00 0.86 C ATOM 3078 C ASP B1013 1.453 -15.488 0.575 1.00 0.93 C ATOM 3079 O ASP B1013 2.466 -16.073 0.947 1.00 1.06 O ATOM 3080 CB ASP B1013 -0.342 -16.705 1.850 1.00 0.98 C ATOM 3081 CG ASP B1013 0.597 -17.559 2.681 1.00 1.18 C ATOM 3082 OD1 ASP B1013 0.724 -17.306 3.899 1.00 1.90 O ATOM 3083 OD2 ASP B1013 1.244 -18.463 2.113 1.00 1.48 O ATOM 0 H ASP B1013 -1.521 -15.050 0.390 1.00 0.78 H new ATOM 0 HA ASP B1013 0.560 -14.839 2.408 1.00 0.86 H new ATOM 0 HB2 ASP B1013 -1.274 -16.564 2.398 1.00 0.98 H new ATOM 0 HB3 ASP B1013 -0.590 -17.238 0.932 1.00 0.98 H new ATOM 3088 N CYS B1014 1.348 -14.933 -0.624 1.00 0.93 N ATOM 3089 CA CYS B1014 2.419 -15.025 -1.608 1.00 1.06 C ATOM 3090 C CYS B1014 3.379 -13.839 -1.488 1.00 1.08 C ATOM 3091 O CYS B1014 4.123 -13.533 -2.416 1.00 1.44 O ATOM 3092 CB CYS B1014 1.827 -15.086 -3.018 1.00 1.12 C ATOM 3093 SG CYS B1014 0.470 -16.292 -3.195 1.00 1.34 S ATOM 0 H CYS B1014 0.530 -14.413 -0.940 1.00 0.93 H new ATOM 0 HA CYS B1014 2.984 -15.937 -1.416 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.459 -14.097 -3.291 1.00 1.12 H new ATOM 0 HB3 CYS B1014 2.619 -15.338 -3.724 1.00 1.12 H new ATOM 3098 N ILE B1015 3.357 -13.182 -0.333 1.00 1.14 N ATOM 3099 CA ILE B1015 4.274 -12.079 -0.051 1.00 1.23 C ATOM 3100 C ILE B1015 5.627 -12.612 0.425 1.00 1.67 C ATOM 3101 O ILE B1015 6.024 -13.721 0.071 1.00 2.20 O ATOM 3102 CB ILE B1015 3.707 -11.133 1.029 1.00 1.32 C ATOM 3103 CG1 ILE B1015 3.180 -11.953 2.213 1.00 2.19 C ATOM 3104 CG2 ILE B1015 2.621 -10.234 0.449 1.00 1.41 C ATOM 3105 CD1 ILE B1015 2.742 -11.121 3.397 1.00 2.91 C ATOM 0 H ILE B1015 2.711 -13.394 0.428 1.00 1.14 H new ATOM 0 HA ILE B1015 4.399 -11.522 -0.980 1.00 1.23 H new ATOM 0 HB ILE B1015 4.507 -10.485 1.387 1.00 1.32 H new ATOM 0 HG12 ILE B1015 2.337 -12.557 1.876 1.00 2.19 H new ATOM 0 HG13 ILE B1015 3.958 -12.644 2.537 1.00 2.19 H new ATOM 0 HG21 ILE B1015 2.237 -9.577 1.229 1.00 1.41 H new ATOM 0 HG22 ILE B1015 3.039 -9.633 -0.358 1.00 1.41 H new ATOM 0 HG23 ILE B1015 1.809 -10.849 0.061 1.00 1.41 H new ATOM 0 HD11 ILE B1015 2.383 -11.777 4.190 1.00 2.91 H new ATOM 0 HD12 ILE B1015 3.586 -10.537 3.763 1.00 2.91 H new ATOM 0 HD13 ILE B1015 1.940 -10.448 3.092 1.00 2.91 H new ATOM 3117 N ASN B1016 6.322 -11.819 1.239 1.00 2.03 N ATOM 3118 CA ASN B1016 7.586 -12.244 1.835 1.00 2.59 C ATOM 3119 C ASN B1016 7.369 -13.446 2.748 1.00 2.83 C ATOM 3120 O ASN B1016 8.257 -14.283 2.915 1.00 3.29 O ATOM 3121 CB ASN B1016 8.239 -11.101 2.631 1.00 3.32 C ATOM 3122 CG ASN B1016 7.415 -10.638 3.828 1.00 3.73 C ATOM 3123 OD1 ASN B1016 6.182 -10.590 3.782 1.00 4.03 O ATOM 3124 ND2 ASN B1016 8.093 -10.312 4.917 1.00 4.29 N ATOM 0 H ASN B1016 6.030 -10.877 1.501 1.00 2.03 H new ATOM 0 HA ASN B1016 8.255 -12.526 1.022 1.00 2.59 H new ATOM 0 HB2 ASN B1016 9.219 -11.427 2.980 1.00 3.32 H new ATOM 0 HB3 ASN B1016 8.403 -10.254 1.965 1.00 3.32 H new ATOM 0 HD21 ASN B1016 7.597 -10.009 5.755 1.00 4.29 H new ATOM 0 HD22 ASN B1016 9.112 -10.364 4.918 1.00 4.29 H new ATOM 3131 N ARG B1017 6.183 -13.520 3.333 1.00 3.18 N ATOM 3132 CA ARG B1017 5.820 -14.617 4.216 1.00 3.90 C ATOM 3133 C ARG B1017 4.433 -15.140 3.870 1.00 4.54 C ATOM 3134 O ARG B1017 3.424 -14.603 4.328 1.00 5.06 O ATOM 3135 CB ARG B1017 5.864 -14.160 5.675 1.00 4.55 C ATOM 3136 CG ARG B1017 7.273 -14.029 6.228 1.00 5.10 C ATOM 3137 CD ARG B1017 7.287 -13.282 7.550 1.00 5.97 C ATOM 3138 NE ARG B1017 6.342 -13.837 8.518 1.00 6.51 N ATOM 3139 CZ ARG B1017 6.360 -13.558 9.818 1.00 7.49 C ATOM 3140 NH1 ARG B1017 7.334 -12.812 10.331 1.00 8.03 N ATOM 3141 NH2 ARG B1017 5.413 -14.048 10.606 1.00 8.17 N ATOM 0 H ARG B1017 5.448 -12.824 3.209 1.00 3.18 H new ATOM 0 HA ARG B1017 6.540 -15.424 4.080 1.00 3.90 H new ATOM 0 HB2 ARG B1017 5.358 -13.199 5.762 1.00 4.55 H new ATOM 0 HB3 ARG B1017 5.307 -14.870 6.287 1.00 4.55 H new ATOM 0 HG2 ARG B1017 7.704 -15.021 6.365 1.00 5.10 H new ATOM 0 HG3 ARG B1017 7.900 -13.505 5.507 1.00 5.10 H new ATOM 0 HD2 ARG B1017 8.292 -13.313 7.970 1.00 5.97 H new ATOM 0 HD3 ARG B1017 7.047 -12.233 7.373 1.00 5.97 H new ATOM 0 HE ARG B1017 5.626 -14.477 8.175 1.00 6.51 H new ATOM 0 HH11 ARG B1017 8.072 -12.451 9.727 1.00 8.03 H new ATOM 0 HH12 ARG B1017 7.343 -12.601 11.329 1.00 8.03 H new ATOM 0 HH21 ARG B1017 4.677 -14.635 10.214 1.00 8.17 H new ATOM 0 HH22 ARG B1017 5.421 -13.838 11.604 1.00 8.17 H new HETATM 3155 N NH2 B1018 4.382 -16.168 3.041 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -14.347 -19.640 -2.962 1.00 1.93 C HETATM 3160 C2 33B B1100 -12.831 -19.562 -3.224 1.00 1.78 C HETATM 3161 O2 33B B1100 -12.356 -19.984 -4.275 1.00 2.16 O HETATM 3162 N3 33B B1100 -12.098 -19.035 -2.238 1.00 1.51 N HETATM 3163 C4 33B B1100 -10.767 -18.893 -2.429 1.00 1.44 C HETATM 3164 C5 33B B1100 -9.883 -19.313 -1.434 1.00 1.42 C HETATM 3165 C6 33B B1100 -10.253 -18.493 -3.673 1.00 1.47 C HETATM 3166 S6 33B B1100 -11.275 -17.736 -4.875 1.00 1.71 S HETATM 3167 C7 33B B1100 -8.514 -19.372 -1.685 1.00 1.43 C HETATM 3168 C8 33B B1100 -8.888 -18.567 -3.914 1.00 1.42 C HETATM 3169 C9 33B B1100 -8.022 -19.010 -2.931 1.00 1.39 C HETATM 3170 N10 33B B1100 -6.716 -19.047 -3.185 1.00 1.40 N HETATM 3171 N11 33B B1100 -5.908 -19.453 -2.349 1.00 1.51 N HETATM 3172 C12 33B B1100 -4.614 -19.439 -2.655 1.00 1.54 C HETATM 3173 C13 33B B1100 -3.655 -19.815 -1.717 1.00 1.75 C HETATM 3174 C14 33B B1100 -4.221 -18.963 -3.892 1.00 1.42 C HETATM 3175 C15 33B B1100 -2.303 -19.691 -2.020 1.00 1.78 C HETATM 3176 C16 33B B1100 -2.872 -18.845 -4.196 1.00 1.45 C HETATM 3177 C17 33B B1100 -1.916 -19.196 -3.263 1.00 1.60 C HETATM 3178 S17 33B B1100 -2.359 -18.267 -5.759 1.00 1.38 S HETATM 3179 N18 33B B1100 -0.634 -18.980 -3.545 1.00 1.62 N HETATM 3180 C19 33B B1100 0.239 -18.954 -2.543 1.00 1.65 C HETATM 3181 O19 33B B1100 0.255 -19.765 -1.620 1.00 1.92 O HETATM 3182 C20 33B B1100 1.259 -17.815 -2.614 1.00 1.43 C HETATM 3183 O61 33B B1100 -10.593 -16.503 -5.398 1.00 2.13 O HETATM 3184 O62 33B B1100 -12.579 -17.340 -4.254 1.00 2.30 O HETATM 3185 O63 33B B1100 -11.528 -18.677 -6.021 1.00 2.30 O HETATM 3186 O71 33B B1100 -1.243 -19.133 -6.269 1.00 2.03 O HETATM 3187 O72 33B B1100 -1.873 -16.851 -5.637 1.00 1.73 O HETATM 3188 O73 33B B1100 -3.506 -18.326 -6.721 1.00 2.14 O HETATM 0 HO72 33B B1100 -2.605 -16.235 -5.848 1.00 1.73 H new HETATM 0 HO62 33B B1100 -13.312 -17.808 -4.706 1.00 2.30 H new HETATM 0 HN18 33B B1100 -0.328 -18.838 -4.508 1.00 1.62 H new HETATM 0 HN3 33B B1100 -12.533 -18.747 -1.362 1.00 1.51 H new HETATM 0 H8 33B B1100 -8.495 -18.273 -4.887 1.00 1.42 H new HETATM 0 H7 33B B1100 -7.830 -19.702 -0.903 1.00 1.43 H new HETATM 0 H5 33B B1100 -10.266 -19.597 -0.454 1.00 1.42 H new HETATM 0 H15 33B B1100 -1.549 -19.980 -1.287 1.00 1.78 H new HETATM 0 H14 33B B1100 -4.972 -18.680 -4.630 1.00 1.42 H new HETATM 0 H13 33B B1100 -3.964 -20.206 -0.747 1.00 1.75 H new