USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 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 101 ASN : amide:sc= 0.497 K(o=1.5,f=-1.9!) USER MOD Set 1.2: A 132 GLN : amide:sc= 1 K(o=1.5,f=-3.1) USER MOD Set 2.1: A 95 THR OG1 : rot 151:sc= 1.05 USER MOD Set 2.2: A 96 GLN : amide:sc= -2.91! C(o=0.062!,f=-4.9!) USER MOD Set 2.3: A 128 ASN : amide:sc= 1.93 K(o=0.062,f=-3) USER MOD Set 3.1: A 17 GLN : amide:sc= 1.02 K(o=1.2,f=-6.7!) USER MOD Set 3.2: A 78 TYR OH : rot 156:sc= 0.168 USER MOD Set 4.1: A 11 HIS : no HE2:sc= 2.01 K(o=1.6,f=-12!) USER MOD Set 4.2: A 54 ASN : amide:sc= -1.58 K(o=1.6,f=-3.6) USER MOD Set 4.3: A 93 HIS :FLIP no HD1:sc= -0.336 F(o=-0.8,f=1.6) USER MOD Set 4.4: A 123 TYR OH : rot -114:sc= 1.48 USER MOD Set 5.1: A 1 GLN N :NH3+ 147:sc= 0.383 (180deg=-0.00167) USER MOD Set 5.2: A 2 ASN : amide:sc= 0.26 K(o=0.64,f=-1.4) USER MOD Set 6.1: A 1 GLN : amide:sc= 0.748 K(o=1.1,f=-5.5!) USER MOD Set 6.2: A 63 THR OG1 : rot -109:sc= 0.336 USER MOD Single : A 3 SER OG : rot 88:sc= 0.744 USER MOD Single : A 5 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.053) USER MOD Single : A 7 TYR OH : rot 100:sc= -0.0708 USER MOD Single : A 12 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 23 MET CE :methyl 178:sc= -0.0639 (180deg=-0.0713) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 31 SER OG : rot -44:sc= 1.2 USER MOD Single : A 34 GLN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 35 ASN : amide:sc= 0.668 K(o=0.67,f=-0.027) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.938 USER MOD Single : A 38 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 39 SER OG : rot 78:sc= 0.585 USER MOD Single : A 45 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.7) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 73:sc= 0.518 USER MOD Single : A 79 ASN : amide:sc= 0.556 K(o=0.56,f=-6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00446 USER MOD Single : A 83 ASN : amide:sc= 0.942 K(o=0.94,f=-0.72) USER MOD Single : A 84 GLN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 94 TYR OH : rot -154:sc= 0.378 USER MOD Single : A 102 SER OG : rot 36:sc= 0.163 USER MOD Single : A 120 SER OG : rot 162:sc= 0.09 USER MOD Single : A 122 ASN : amide:sc= -0.725 K(o=-0.72,f=-3.8!) USER MOD Single : A 135 TYR OH : rot 10:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.160 10.476 5.965 1.00 2.06 N ATOM 2 CA GLN A 1 -5.553 9.382 5.064 1.00 1.06 C ATOM 3 C GLN A 1 -4.399 8.384 4.903 1.00 0.97 C ATOM 4 O GLN A 1 -3.990 8.033 3.795 1.00 1.15 O ATOM 5 CB GLN A 1 -6.068 9.958 3.736 1.00 1.08 C ATOM 6 CG GLN A 1 -7.600 9.989 3.706 1.00 2.05 C ATOM 7 CD GLN A 1 -8.165 10.336 2.338 1.00 3.09 C ATOM 8 OE1 GLN A 1 -9.310 10.002 2.060 1.00 4.41 O ATOM 9 NE2 GLN A 1 -7.395 10.958 1.452 1.00 3.50 N ATOM 0 H1 GLN A 1 -5.626 11.356 5.666 1.00 2.06 H new ATOM 0 H2 GLN A 1 -5.448 10.245 6.937 1.00 2.06 H new ATOM 0 H3 GLN A 1 -4.128 10.601 5.930 1.00 2.06 H new ATOM 0 HA GLN A 1 -6.379 8.817 5.495 1.00 1.06 H new ATOM 0 HB2 GLN A 1 -5.678 10.966 3.598 1.00 1.08 H new ATOM 0 HB3 GLN A 1 -5.697 9.356 2.907 1.00 1.08 H new ATOM 0 HG2 GLN A 1 -7.983 9.016 4.014 1.00 2.05 H new ATOM 0 HG3 GLN A 1 -7.957 10.717 4.435 1.00 2.05 H new ATOM 0 HE21 GLN A 1 -6.444 11.228 1.703 1.00 3.50 H new ATOM 0 HE22 GLN A 1 -7.755 11.166 0.520 1.00 3.50 H new ATOM 20 N ASN A 2 -3.794 7.984 6.016 1.00 1.07 N ATOM 21 CA ASN A 2 -2.575 7.188 6.036 1.00 1.23 C ATOM 22 C ASN A 2 -2.479 6.435 7.364 1.00 1.12 C ATOM 23 O ASN A 2 -1.396 6.192 7.886 1.00 2.11 O ATOM 24 CB ASN A 2 -1.344 8.055 5.690 1.00 1.88 C ATOM 25 CG ASN A 2 -1.502 9.502 6.142 1.00 1.83 C ATOM 26 OD1 ASN A 2 -2.145 10.299 5.456 1.00 3.36 O ATOM 27 ND2 ASN A 2 -0.961 9.865 7.287 1.00 1.87 N ATOM 0 H ASN A 2 -4.145 8.209 6.947 1.00 1.07 H new ATOM 0 HA ASN A 2 -2.603 6.427 5.256 1.00 1.23 H new ATOM 0 HB2 ASN A 2 -0.458 7.626 6.159 1.00 1.88 H new ATOM 0 HB3 ASN A 2 -1.178 8.030 4.613 1.00 1.88 H new ATOM 0 HD21 ASN A 2 -1.070 10.822 7.622 1.00 1.87 H new ATOM 0 HD22 ASN A 2 -0.433 9.189 7.839 1.00 1.87 H new ATOM 34 N SER A 3 -3.623 6.006 7.893 1.00 1.08 N ATOM 35 CA SER A 3 -3.675 4.986 8.930 1.00 0.97 C ATOM 36 C SER A 3 -3.375 3.634 8.267 1.00 0.73 C ATOM 37 O SER A 3 -3.552 3.505 7.057 1.00 0.93 O ATOM 38 CB SER A 3 -5.091 5.017 9.529 1.00 1.24 C ATOM 39 OG SER A 3 -5.506 6.357 9.728 1.00 1.78 O ATOM 0 H SER A 3 -4.538 6.358 7.613 1.00 1.08 H new ATOM 0 HA SER A 3 -2.949 5.154 9.725 1.00 0.97 H new ATOM 0 HB2 SER A 3 -5.787 4.508 8.863 1.00 1.24 H new ATOM 0 HB3 SER A 3 -5.105 4.479 10.477 1.00 1.24 H new ATOM 0 HG SER A 3 -5.928 6.694 8.910 1.00 1.78 H new ATOM 45 N PRO A 4 -2.997 2.590 9.014 1.00 0.62 N ATOM 46 CA PRO A 4 -2.927 1.246 8.455 1.00 0.63 C ATOM 47 C PRO A 4 -4.300 0.878 7.882 1.00 0.47 C ATOM 48 O PRO A 4 -4.445 0.464 6.730 1.00 0.44 O ATOM 49 CB PRO A 4 -2.499 0.351 9.622 1.00 0.81 C ATOM 50 CG PRO A 4 -2.874 1.133 10.882 1.00 0.82 C ATOM 51 CD PRO A 4 -2.753 2.593 10.444 1.00 0.75 C ATOM 0 HA PRO A 4 -2.219 1.142 7.633 1.00 0.63 H new ATOM 0 HB2 PRO A 4 -3.010 -0.611 9.589 1.00 0.81 H new ATOM 0 HB3 PRO A 4 -1.429 0.145 9.589 1.00 0.81 H new ATOM 0 HG2 PRO A 4 -3.884 0.896 11.216 1.00 0.82 H new ATOM 0 HG3 PRO A 4 -2.203 0.905 11.710 1.00 0.82 H new ATOM 0 HD2 PRO A 4 -3.477 3.220 10.964 1.00 0.75 H new ATOM 0 HD3 PRO A 4 -1.764 2.991 10.673 1.00 0.75 H new ATOM 59 N GLN A 5 -5.328 1.139 8.690 1.00 0.44 N ATOM 60 CA GLN A 5 -6.723 1.086 8.299 1.00 0.39 C ATOM 61 C GLN A 5 -7.013 1.801 6.981 1.00 0.36 C ATOM 62 O GLN A 5 -7.906 1.370 6.261 1.00 0.46 O ATOM 63 CB GLN A 5 -7.579 1.688 9.412 1.00 0.52 C ATOM 64 CG GLN A 5 -8.108 0.620 10.371 1.00 2.19 C ATOM 65 CD GLN A 5 -9.214 -0.192 9.710 1.00 3.22 C ATOM 66 OE1 GLN A 5 -10.339 0.292 9.592 1.00 3.79 O ATOM 67 NE2 GLN A 5 -8.902 -1.393 9.245 1.00 4.81 N ATOM 0 H GLN A 5 -5.200 1.402 9.667 1.00 0.44 H new ATOM 0 HA GLN A 5 -6.971 0.036 8.141 1.00 0.39 H new ATOM 0 HB2 GLN A 5 -6.989 2.415 9.970 1.00 0.52 H new ATOM 0 HB3 GLN A 5 -8.418 2.228 8.972 1.00 0.52 H new ATOM 0 HG2 GLN A 5 -7.295 -0.040 10.673 1.00 2.19 H new ATOM 0 HG3 GLN A 5 -8.488 1.093 11.277 1.00 2.19 H new ATOM 0 HE21 GLN A 5 -7.956 -1.756 9.364 1.00 4.81 H new ATOM 0 HE22 GLN A 5 -9.607 -1.954 8.768 1.00 4.81 H new ATOM 76 N ASP A 6 -6.327 2.906 6.667 1.00 0.39 N ATOM 77 CA ASP A 6 -6.678 3.658 5.474 1.00 0.45 C ATOM 78 C ASP A 6 -6.439 2.793 4.253 1.00 0.40 C ATOM 79 O ASP A 6 -7.302 2.713 3.379 1.00 0.50 O ATOM 80 CB ASP A 6 -5.920 4.984 5.331 1.00 0.64 C ATOM 81 CG ASP A 6 -6.675 6.120 5.965 1.00 0.89 C ATOM 82 OD1 ASP A 6 -7.711 6.504 5.380 1.00 1.94 O ATOM 83 OD2 ASP A 6 -6.213 6.617 7.014 1.00 1.89 O ATOM 0 H ASP A 6 -5.550 3.285 7.208 1.00 0.39 H new ATOM 0 HA ASP A 6 -7.732 3.922 5.566 1.00 0.45 H new ATOM 0 HB2 ASP A 6 -4.938 4.895 5.795 1.00 0.64 H new ATOM 0 HB3 ASP A 6 -5.756 5.199 4.275 1.00 0.64 H new ATOM 88 N TYR A 7 -5.268 2.160 4.200 1.00 0.35 N ATOM 89 CA TYR A 7 -4.955 1.227 3.137 1.00 0.37 C ATOM 90 C TYR A 7 -5.921 0.053 3.200 1.00 0.36 C ATOM 91 O TYR A 7 -6.544 -0.278 2.192 1.00 0.39 O ATOM 92 CB TYR A 7 -3.509 0.735 3.243 1.00 0.40 C ATOM 93 CG TYR A 7 -2.477 1.764 2.839 1.00 0.50 C ATOM 94 CD1 TYR A 7 -2.022 2.705 3.777 1.00 1.69 C ATOM 95 CD2 TYR A 7 -1.887 1.709 1.562 1.00 2.08 C ATOM 96 CE1 TYR A 7 -0.988 3.586 3.431 1.00 1.73 C ATOM 97 CE2 TYR A 7 -0.851 2.590 1.219 1.00 2.36 C ATOM 98 CZ TYR A 7 -0.391 3.515 2.167 1.00 1.28 C ATOM 99 OH TYR A 7 0.590 4.396 1.845 1.00 1.78 O ATOM 0 H TYR A 7 -4.523 2.282 4.886 1.00 0.35 H new ATOM 0 HA TYR A 7 -5.061 1.736 2.179 1.00 0.37 H new ATOM 0 HB2 TYR A 7 -3.316 0.426 4.270 1.00 0.40 H new ATOM 0 HB3 TYR A 7 -3.390 -0.149 2.616 1.00 0.40 H new ATOM 0 HD1 TYR A 7 -2.467 2.750 4.760 1.00 1.69 H new ATOM 0 HD2 TYR A 7 -2.235 0.983 0.841 1.00 2.08 H new ATOM 0 HE1 TYR A 7 -0.650 4.324 4.144 1.00 1.73 H new ATOM 0 HE2 TYR A 7 -0.411 2.556 0.233 1.00 2.36 H new ATOM 0 HH TYR A 7 1.464 3.965 1.951 1.00 1.78 H new ATOM 109 N LEU A 8 -6.012 -0.591 4.365 1.00 0.33 N ATOM 110 CA LEU A 8 -6.821 -1.791 4.541 1.00 0.31 C ATOM 111 C LEU A 8 -8.246 -1.589 4.023 1.00 0.32 C ATOM 112 O LEU A 8 -8.759 -2.429 3.287 1.00 0.35 O ATOM 113 CB LEU A 8 -6.809 -2.231 6.013 1.00 0.30 C ATOM 114 CG LEU A 8 -5.752 -3.306 6.285 1.00 0.39 C ATOM 115 CD1 LEU A 8 -5.531 -3.506 7.784 1.00 0.40 C ATOM 116 CD2 LEU A 8 -6.205 -4.652 5.730 1.00 0.67 C ATOM 0 H LEU A 8 -5.526 -0.293 5.211 1.00 0.33 H new ATOM 0 HA LEU A 8 -6.380 -2.590 3.945 1.00 0.31 H new ATOM 0 HB2 LEU A 8 -6.617 -1.366 6.648 1.00 0.30 H new ATOM 0 HB3 LEU A 8 -7.793 -2.614 6.284 1.00 0.30 H new ATOM 0 HG LEU A 8 -4.834 -2.966 5.806 1.00 0.39 H new ATOM 0 HD11 LEU A 8 -4.775 -4.275 7.941 1.00 0.40 H new ATOM 0 HD12 LEU A 8 -5.194 -2.570 8.230 1.00 0.40 H new ATOM 0 HD13 LEU A 8 -6.466 -3.815 8.252 1.00 0.40 H new ATOM 0 HD21 LEU A 8 -5.442 -5.404 5.932 1.00 0.67 H new ATOM 0 HD22 LEU A 8 -7.140 -4.946 6.207 1.00 0.67 H new ATOM 0 HD23 LEU A 8 -6.357 -4.569 4.654 1.00 0.67 H new ATOM 128 N ALA A 9 -8.866 -0.463 4.368 1.00 0.35 N ATOM 129 CA ALA A 9 -10.199 -0.107 3.919 1.00 0.35 C ATOM 130 C ALA A 9 -10.276 -0.122 2.393 1.00 0.29 C ATOM 131 O ALA A 9 -11.115 -0.818 1.825 1.00 0.32 O ATOM 132 CB ALA A 9 -10.582 1.266 4.474 1.00 0.41 C ATOM 0 H ALA A 9 -8.444 0.237 4.979 1.00 0.35 H new ATOM 0 HA ALA A 9 -10.909 -0.845 4.294 1.00 0.35 H new ATOM 0 HB1 ALA A 9 -11.584 1.529 4.134 1.00 0.41 H new ATOM 0 HB2 ALA A 9 -10.565 1.236 5.563 1.00 0.41 H new ATOM 0 HB3 ALA A 9 -9.871 2.013 4.120 1.00 0.41 H new ATOM 138 N VAL A 10 -9.408 0.632 1.716 1.00 0.28 N ATOM 139 CA VAL A 10 -9.485 0.736 0.264 1.00 0.27 C ATOM 140 C VAL A 10 -9.181 -0.621 -0.390 1.00 0.28 C ATOM 141 O VAL A 10 -9.802 -0.986 -1.387 1.00 0.35 O ATOM 142 CB VAL A 10 -8.601 1.873 -0.268 1.00 0.28 C ATOM 143 CG1 VAL A 10 -8.833 2.062 -1.775 1.00 0.33 C ATOM 144 CG2 VAL A 10 -8.943 3.213 0.391 1.00 0.35 C ATOM 0 H VAL A 10 -8.656 1.171 2.145 1.00 0.28 H new ATOM 0 HA VAL A 10 -10.506 1.000 -0.013 1.00 0.27 H new ATOM 0 HB VAL A 10 -7.571 1.594 -0.047 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -8.201 2.871 -2.142 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -8.583 1.140 -2.300 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -9.879 2.310 -1.954 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -8.296 3.992 -0.012 1.00 0.35 H new ATOM 0 HG22 VAL A 10 -9.984 3.464 0.186 1.00 0.35 H new ATOM 0 HG23 VAL A 10 -8.793 3.138 1.468 1.00 0.35 H new ATOM 154 N HIS A 11 -8.247 -1.394 0.174 1.00 0.27 N ATOM 155 CA HIS A 11 -8.017 -2.759 -0.290 1.00 0.27 C ATOM 156 C HIS A 11 -9.313 -3.552 -0.195 1.00 0.28 C ATOM 157 O HIS A 11 -9.740 -4.180 -1.159 1.00 0.35 O ATOM 158 CB HIS A 11 -6.902 -3.446 0.508 1.00 0.29 C ATOM 159 CG HIS A 11 -5.534 -2.970 0.113 1.00 0.33 C ATOM 160 ND1 HIS A 11 -5.022 -1.716 0.331 1.00 0.38 N ATOM 161 CD2 HIS A 11 -4.630 -3.662 -0.643 1.00 0.34 C ATOM 162 CE1 HIS A 11 -3.830 -1.655 -0.280 1.00 0.43 C ATOM 163 NE2 HIS A 11 -3.554 -2.808 -0.908 1.00 0.41 N ATOM 0 H HIS A 11 -7.646 -1.099 0.944 1.00 0.27 H new ATOM 0 HA HIS A 11 -7.692 -2.720 -1.330 1.00 0.27 H new ATOM 0 HB2 HIS A 11 -7.054 -3.261 1.571 1.00 0.29 H new ATOM 0 HB3 HIS A 11 -6.965 -4.524 0.359 1.00 0.29 H new ATOM 0 HD1 HIS A 11 -5.467 -0.967 0.861 1.00 0.38 H new ATOM 0 HD2 HIS A 11 -4.729 -4.685 -0.976 1.00 0.34 H new ATOM 0 HE1 HIS A 11 -3.179 -0.793 -0.268 1.00 0.43 H new ATOM 171 N ASN A 12 -9.945 -3.508 0.974 1.00 0.30 N ATOM 172 CA ASN A 12 -11.218 -4.170 1.205 1.00 0.43 C ATOM 173 C ASN A 12 -12.260 -3.680 0.212 1.00 0.52 C ATOM 174 O ASN A 12 -13.108 -4.463 -0.189 1.00 0.55 O ATOM 175 CB ASN A 12 -11.712 -3.974 2.641 1.00 0.59 C ATOM 176 CG ASN A 12 -11.168 -5.054 3.557 1.00 0.87 C ATOM 177 OD1 ASN A 12 -11.907 -5.911 4.040 1.00 2.01 O ATOM 178 ND2 ASN A 12 -9.872 -5.013 3.827 1.00 1.33 N ATOM 0 H ASN A 12 -9.585 -3.010 1.788 1.00 0.30 H new ATOM 0 HA ASN A 12 -11.062 -5.239 1.057 1.00 0.43 H new ATOM 0 HB2 ASN A 12 -11.403 -2.994 3.005 1.00 0.59 H new ATOM 0 HB3 ASN A 12 -12.802 -3.992 2.660 1.00 0.59 H new ATOM 0 HD21 ASN A 12 -9.459 -5.705 4.452 1.00 1.33 H new ATOM 0 HD22 ASN A 12 -9.287 -4.289 3.410 1.00 1.33 H new ATOM 185 N ASP A 13 -12.219 -2.412 -0.193 1.00 0.64 N ATOM 186 CA ASP A 13 -13.093 -1.872 -1.230 1.00 0.71 C ATOM 187 C ASP A 13 -12.908 -2.635 -2.538 1.00 0.67 C ATOM 188 O ASP A 13 -13.830 -3.280 -3.028 1.00 0.69 O ATOM 189 CB ASP A 13 -12.818 -0.375 -1.415 1.00 0.82 C ATOM 190 CG ASP A 13 -14.059 0.464 -1.538 1.00 1.00 C ATOM 191 OD1 ASP A 13 -14.871 0.406 -0.591 1.00 1.30 O ATOM 192 OD2 ASP A 13 -14.167 1.226 -2.524 1.00 2.48 O ATOM 0 H ASP A 13 -11.572 -1.725 0.194 1.00 0.64 H new ATOM 0 HA ASP A 13 -14.131 -1.995 -0.921 1.00 0.71 H new ATOM 0 HB2 ASP A 13 -12.232 -0.016 -0.569 1.00 0.82 H new ATOM 0 HB3 ASP A 13 -12.208 -0.236 -2.307 1.00 0.82 H new ATOM 197 N ALA A 14 -11.697 -2.583 -3.091 1.00 0.63 N ATOM 198 CA ALA A 14 -11.381 -3.251 -4.348 1.00 0.62 C ATOM 199 C ALA A 14 -11.780 -4.721 -4.276 1.00 0.50 C ATOM 200 O ALA A 14 -12.418 -5.265 -5.171 1.00 0.57 O ATOM 201 CB ALA A 14 -9.885 -3.126 -4.622 1.00 0.67 C ATOM 0 H ALA A 14 -10.912 -2.078 -2.680 1.00 0.63 H new ATOM 0 HA ALA A 14 -11.938 -2.780 -5.158 1.00 0.62 H new ATOM 0 HB1 ALA A 14 -9.644 -3.624 -5.561 1.00 0.67 H new ATOM 0 HB2 ALA A 14 -9.614 -2.072 -4.690 1.00 0.67 H new ATOM 0 HB3 ALA A 14 -9.326 -3.592 -3.810 1.00 0.67 H new ATOM 207 N ARG A 15 -11.382 -5.364 -3.186 1.00 0.41 N ATOM 208 CA ARG A 15 -11.619 -6.772 -2.954 1.00 0.41 C ATOM 209 C ARG A 15 -13.118 -7.043 -2.843 1.00 0.45 C ATOM 210 O ARG A 15 -13.613 -7.970 -3.473 1.00 0.49 O ATOM 211 CB ARG A 15 -10.801 -7.200 -1.731 1.00 0.41 C ATOM 212 CG ARG A 15 -9.319 -7.211 -2.134 1.00 0.44 C ATOM 213 CD ARG A 15 -8.355 -7.258 -0.950 1.00 0.87 C ATOM 214 NE ARG A 15 -8.264 -8.587 -0.334 1.00 1.09 N ATOM 215 CZ ARG A 15 -8.311 -8.795 0.980 1.00 2.23 C ATOM 216 NH1 ARG A 15 -9.067 -7.988 1.724 1.00 3.32 N ATOM 217 NH2 ARG A 15 -7.588 -9.781 1.507 1.00 3.01 N ATOM 0 H ARG A 15 -10.876 -4.907 -2.427 1.00 0.41 H new ATOM 0 HA ARG A 15 -11.284 -7.382 -3.793 1.00 0.41 H new ATOM 0 HB2 ARG A 15 -10.966 -6.512 -0.902 1.00 0.41 H new ATOM 0 HB3 ARG A 15 -11.111 -8.188 -1.391 1.00 0.41 H new ATOM 0 HG2 ARG A 15 -9.134 -8.073 -2.775 1.00 0.44 H new ATOM 0 HG3 ARG A 15 -9.107 -6.321 -2.727 1.00 0.44 H new ATOM 0 HD2 ARG A 15 -7.364 -6.950 -1.284 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -8.677 -6.537 -0.198 1.00 0.87 H new ATOM 0 HE ARG A 15 -8.159 -9.396 -0.946 1.00 1.09 H new ATOM 0 HH11 ARG A 15 -9.592 -7.232 1.284 1.00 3.32 H new ATOM 0 HH12 ARG A 15 -9.120 -8.126 2.733 1.00 3.32 H new ATOM 0 HH21 ARG A 15 -7.008 -10.366 0.905 1.00 3.01 H new ATOM 0 HH22 ARG A 15 -7.614 -9.952 2.512 1.00 3.01 H new ATOM 231 N ALA A 16 -13.856 -6.219 -2.101 1.00 0.49 N ATOM 232 CA ALA A 16 -15.310 -6.292 -2.004 1.00 0.56 C ATOM 233 C ALA A 16 -15.909 -6.317 -3.403 1.00 0.60 C ATOM 234 O ALA A 16 -16.759 -7.146 -3.715 1.00 0.69 O ATOM 235 CB ALA A 16 -15.860 -5.083 -1.235 1.00 0.75 C ATOM 0 H ALA A 16 -13.451 -5.469 -1.541 1.00 0.49 H new ATOM 0 HA ALA A 16 -15.581 -7.201 -1.467 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -16.946 -5.155 -1.173 1.00 0.75 H new ATOM 0 HB2 ALA A 16 -15.439 -5.069 -0.230 1.00 0.75 H new ATOM 0 HB3 ALA A 16 -15.586 -4.165 -1.756 1.00 0.75 H new ATOM 241 N GLN A 17 -15.427 -5.416 -4.251 1.00 0.60 N ATOM 242 CA GLN A 17 -15.922 -5.227 -5.600 1.00 0.68 C ATOM 243 C GLN A 17 -15.588 -6.400 -6.534 1.00 0.89 C ATOM 244 O GLN A 17 -16.019 -6.377 -7.686 1.00 1.47 O ATOM 245 CB GLN A 17 -15.407 -3.875 -6.105 1.00 0.61 C ATOM 246 CG GLN A 17 -16.043 -2.735 -5.285 1.00 1.01 C ATOM 247 CD GLN A 17 -15.102 -1.570 -5.006 1.00 1.43 C ATOM 248 OE1 GLN A 17 -14.038 -1.449 -5.605 1.00 2.76 O ATOM 249 NE2 GLN A 17 -15.479 -0.688 -4.089 1.00 1.61 N ATOM 0 H GLN A 17 -14.663 -4.784 -4.009 1.00 0.60 H new ATOM 0 HA GLN A 17 -17.012 -5.213 -5.592 1.00 0.68 H new ATOM 0 HB2 GLN A 17 -14.321 -3.834 -6.020 1.00 0.61 H new ATOM 0 HB3 GLN A 17 -15.649 -3.755 -7.161 1.00 0.61 H new ATOM 0 HG2 GLN A 17 -16.917 -2.362 -5.818 1.00 1.01 H new ATOM 0 HG3 GLN A 17 -16.397 -3.138 -4.336 1.00 1.01 H new ATOM 0 HE21 GLN A 17 -16.367 -0.807 -3.602 1.00 1.61 H new ATOM 0 HE22 GLN A 17 -14.880 0.109 -3.871 1.00 1.61 H new ATOM 258 N VAL A 18 -14.884 -7.435 -6.061 1.00 0.57 N ATOM 259 CA VAL A 18 -14.822 -8.745 -6.704 1.00 0.59 C ATOM 260 C VAL A 18 -14.901 -9.864 -5.647 1.00 0.71 C ATOM 261 O VAL A 18 -14.328 -10.937 -5.824 1.00 1.13 O ATOM 262 CB VAL A 18 -13.581 -8.861 -7.617 1.00 0.60 C ATOM 263 CG1 VAL A 18 -13.746 -8.079 -8.926 1.00 0.78 C ATOM 264 CG2 VAL A 18 -12.301 -8.381 -6.926 1.00 0.67 C ATOM 0 H VAL A 18 -14.333 -7.381 -5.205 1.00 0.57 H new ATOM 0 HA VAL A 18 -15.687 -8.862 -7.357 1.00 0.59 H new ATOM 0 HB VAL A 18 -13.492 -9.924 -7.840 1.00 0.60 H new ATOM 0 HG11 VAL A 18 -12.848 -8.192 -9.533 1.00 0.78 H new ATOM 0 HG12 VAL A 18 -14.605 -8.465 -9.474 1.00 0.78 H new ATOM 0 HG13 VAL A 18 -13.902 -7.024 -8.702 1.00 0.78 H new ATOM 0 HG21 VAL A 18 -11.458 -8.483 -7.610 1.00 0.67 H new ATOM 0 HG22 VAL A 18 -12.412 -7.335 -6.641 1.00 0.67 H new ATOM 0 HG23 VAL A 18 -12.121 -8.983 -6.035 1.00 0.67 H new ATOM 274 N GLY A 19 -15.632 -9.632 -4.552 1.00 0.51 N ATOM 275 CA GLY A 19 -15.892 -10.570 -3.464 1.00 0.58 C ATOM 276 C GLY A 19 -14.672 -11.369 -2.987 1.00 0.67 C ATOM 277 O GLY A 19 -14.785 -12.550 -2.652 1.00 1.04 O ATOM 0 H GLY A 19 -16.083 -8.730 -4.396 1.00 0.51 H new ATOM 0 HA2 GLY A 19 -16.298 -10.016 -2.617 1.00 0.58 H new ATOM 0 HA3 GLY A 19 -16.662 -11.271 -3.786 1.00 0.58 H new ATOM 281 N VAL A 20 -13.513 -10.726 -2.899 1.00 0.54 N ATOM 282 CA VAL A 20 -12.296 -11.319 -2.367 1.00 0.58 C ATOM 283 C VAL A 20 -12.340 -11.183 -0.838 1.00 0.57 C ATOM 284 O VAL A 20 -12.723 -10.132 -0.315 1.00 0.62 O ATOM 285 CB VAL A 20 -11.076 -10.629 -3.004 1.00 0.64 C ATOM 286 CG1 VAL A 20 -9.807 -10.851 -2.175 1.00 0.97 C ATOM 287 CG2 VAL A 20 -10.849 -11.075 -4.454 1.00 0.77 C ATOM 0 H VAL A 20 -13.393 -9.759 -3.202 1.00 0.54 H new ATOM 0 HA VAL A 20 -12.214 -12.379 -2.610 1.00 0.58 H new ATOM 0 HB VAL A 20 -11.298 -9.562 -3.016 1.00 0.64 H new ATOM 0 HG11 VAL A 20 -8.967 -10.350 -2.655 1.00 0.97 H new ATOM 0 HG12 VAL A 20 -9.950 -10.443 -1.175 1.00 0.97 H new ATOM 0 HG13 VAL A 20 -9.600 -11.919 -2.105 1.00 0.97 H new ATOM 0 HG21 VAL A 20 -9.978 -10.561 -4.861 1.00 0.77 H new ATOM 0 HG22 VAL A 20 -10.681 -12.152 -4.481 1.00 0.77 H new ATOM 0 HG23 VAL A 20 -11.727 -10.829 -5.052 1.00 0.77 H new ATOM 297 N GLY A 21 -11.980 -12.254 -0.124 1.00 0.63 N ATOM 298 CA GLY A 21 -12.011 -12.311 1.334 1.00 0.75 C ATOM 299 C GLY A 21 -11.121 -11.250 1.984 1.00 0.85 C ATOM 300 O GLY A 21 -10.338 -10.613 1.288 1.00 0.89 O ATOM 0 H GLY A 21 -11.654 -13.119 -0.554 1.00 0.63 H new ATOM 0 HA2 GLY A 21 -13.037 -12.179 1.677 1.00 0.75 H new ATOM 0 HA3 GLY A 21 -11.690 -13.300 1.662 1.00 0.75 H new ATOM 304 N PRO A 22 -11.260 -11.007 3.298 1.00 1.02 N ATOM 305 CA PRO A 22 -10.570 -9.926 3.988 1.00 1.17 C ATOM 306 C PRO A 22 -9.083 -10.238 4.209 1.00 1.11 C ATOM 307 O PRO A 22 -8.553 -11.220 3.694 1.00 1.10 O ATOM 308 CB PRO A 22 -11.340 -9.733 5.300 1.00 1.41 C ATOM 309 CG PRO A 22 -11.921 -11.118 5.579 1.00 1.39 C ATOM 310 CD PRO A 22 -12.191 -11.684 4.185 1.00 1.15 C ATOM 0 HA PRO A 22 -10.562 -9.009 3.400 1.00 1.17 H new ATOM 0 HB2 PRO A 22 -10.684 -9.403 6.106 1.00 1.41 H new ATOM 0 HB3 PRO A 22 -12.123 -8.982 5.199 1.00 1.41 H new ATOM 0 HG2 PRO A 22 -11.221 -11.741 6.136 1.00 1.39 H new ATOM 0 HG3 PRO A 22 -12.834 -11.058 6.171 1.00 1.39 H new ATOM 0 HD2 PRO A 22 -12.037 -12.763 4.164 1.00 1.15 H new ATOM 0 HD3 PRO A 22 -13.222 -11.503 3.882 1.00 1.15 H new ATOM 318 N MET A 23 -8.356 -9.350 4.885 1.00 1.11 N ATOM 319 CA MET A 23 -6.969 -9.534 5.321 1.00 1.09 C ATOM 320 C MET A 23 -6.845 -9.007 6.750 1.00 1.23 C ATOM 321 O MET A 23 -7.832 -8.558 7.329 1.00 1.57 O ATOM 322 CB MET A 23 -5.985 -8.825 4.369 1.00 1.07 C ATOM 323 CG MET A 23 -6.445 -7.444 3.914 1.00 1.30 C ATOM 324 SD MET A 23 -5.246 -6.476 2.963 1.00 1.66 S ATOM 325 CE MET A 23 -4.761 -7.617 1.647 1.00 1.13 C ATOM 0 H MET A 23 -8.733 -8.442 5.157 1.00 1.11 H new ATOM 0 HA MET A 23 -6.711 -10.593 5.298 1.00 1.09 H new ATOM 0 HB2 MET A 23 -5.020 -8.729 4.867 1.00 1.07 H new ATOM 0 HB3 MET A 23 -5.830 -9.452 3.491 1.00 1.07 H new ATOM 0 HG2 MET A 23 -7.345 -7.564 3.310 1.00 1.30 H new ATOM 0 HG3 MET A 23 -6.727 -6.869 4.796 1.00 1.30 H new ATOM 0 HE1 MET A 23 -4.055 -7.123 0.979 1.00 1.13 H new ATOM 0 HE2 MET A 23 -4.291 -8.498 2.084 1.00 1.13 H new ATOM 0 HE3 MET A 23 -5.644 -7.919 1.083 1.00 1.13 H new ATOM 335 N SER A 24 -5.636 -9.001 7.300 1.00 1.03 N ATOM 336 CA SER A 24 -5.298 -8.156 8.429 1.00 0.89 C ATOM 337 C SER A 24 -3.991 -7.444 8.110 1.00 0.75 C ATOM 338 O SER A 24 -3.381 -7.669 7.062 1.00 0.87 O ATOM 339 CB SER A 24 -5.315 -8.936 9.757 1.00 1.12 C ATOM 340 OG SER A 24 -4.017 -9.250 10.229 1.00 1.14 O ATOM 0 H SER A 24 -4.865 -9.584 6.972 1.00 1.03 H new ATOM 0 HA SER A 24 -6.057 -7.389 8.584 1.00 0.89 H new ATOM 0 HB2 SER A 24 -5.838 -8.348 10.511 1.00 1.12 H new ATOM 0 HB3 SER A 24 -5.880 -9.858 9.624 1.00 1.12 H new ATOM 0 HG SER A 24 -4.086 -9.742 11.074 1.00 1.14 H new ATOM 346 N TRP A 25 -3.589 -6.559 9.011 1.00 0.58 N ATOM 347 CA TRP A 25 -2.354 -5.822 8.862 1.00 0.49 C ATOM 348 C TRP A 25 -1.177 -6.766 9.097 1.00 0.48 C ATOM 349 O TRP A 25 -1.324 -7.825 9.711 1.00 1.02 O ATOM 350 CB TRP A 25 -2.326 -4.675 9.876 1.00 0.52 C ATOM 351 CG TRP A 25 -1.323 -3.610 9.574 1.00 0.50 C ATOM 352 CD1 TRP A 25 -0.274 -3.253 10.345 1.00 0.55 C ATOM 353 CD2 TRP A 25 -1.266 -2.754 8.400 1.00 0.48 C ATOM 354 NE1 TRP A 25 0.399 -2.210 9.745 1.00 0.55 N ATOM 355 CE2 TRP A 25 -0.178 -1.848 8.545 1.00 0.51 C ATOM 356 CE3 TRP A 25 -2.040 -2.647 7.230 1.00 0.50 C ATOM 357 CZ2 TRP A 25 0.091 -0.847 7.598 1.00 0.53 C ATOM 358 CZ3 TRP A 25 -1.763 -1.674 6.261 1.00 0.52 C ATOM 359 CH2 TRP A 25 -0.733 -0.740 6.463 1.00 0.52 C ATOM 0 H TRP A 25 -4.110 -6.336 9.859 1.00 0.58 H new ATOM 0 HA TRP A 25 -2.283 -5.408 7.856 1.00 0.49 H new ATOM 0 HB2 TRP A 25 -3.316 -4.222 9.922 1.00 0.52 H new ATOM 0 HB3 TRP A 25 -2.117 -5.085 10.864 1.00 0.52 H new ATOM 0 HD1 TRP A 25 -0.004 -3.712 11.284 1.00 0.55 H new ATOM 0 HE1 TRP A 25 1.224 -1.760 10.141 1.00 0.55 H new ATOM 0 HE3 TRP A 25 -2.864 -3.328 7.076 1.00 0.50 H new ATOM 0 HZ2 TRP A 25 0.919 -0.168 7.739 1.00 0.53 H new ATOM 0 HZ3 TRP A 25 -2.345 -1.642 5.352 1.00 0.52 H new ATOM 0 HH2 TRP A 25 -0.575 0.056 5.750 1.00 0.52 H new ATOM 370 N ASP A 26 0.011 -6.353 8.673 1.00 0.45 N ATOM 371 CA ASP A 26 1.264 -6.951 9.083 1.00 0.49 C ATOM 372 C ASP A 26 2.259 -5.829 9.337 1.00 0.70 C ATOM 373 O ASP A 26 2.619 -5.075 8.431 1.00 1.34 O ATOM 374 CB ASP A 26 1.744 -7.930 8.022 1.00 0.53 C ATOM 375 CG ASP A 26 2.972 -8.669 8.492 1.00 1.68 C ATOM 376 OD1 ASP A 26 3.943 -8.025 8.935 1.00 2.86 O ATOM 377 OD2 ASP A 26 2.928 -9.915 8.465 1.00 2.54 O ATOM 0 H ASP A 26 0.127 -5.577 8.021 1.00 0.45 H new ATOM 0 HA ASP A 26 1.146 -7.524 10.003 1.00 0.49 H new ATOM 0 HB2 ASP A 26 0.951 -8.642 7.792 1.00 0.53 H new ATOM 0 HB3 ASP A 26 1.968 -7.393 7.100 1.00 0.53 H new ATOM 382 N ALA A 27 2.670 -5.676 10.592 1.00 0.53 N ATOM 383 CA ALA A 27 3.537 -4.582 10.975 1.00 0.67 C ATOM 384 C ALA A 27 4.927 -4.766 10.384 1.00 0.64 C ATOM 385 O ALA A 27 5.633 -3.790 10.147 1.00 0.66 O ATOM 386 CB ALA A 27 3.623 -4.495 12.494 1.00 0.89 C ATOM 0 H ALA A 27 2.413 -6.300 11.357 1.00 0.53 H new ATOM 0 HA ALA A 27 3.117 -3.654 10.586 1.00 0.67 H new ATOM 0 HB1 ALA A 27 4.277 -3.670 12.775 1.00 0.89 H new ATOM 0 HB2 ALA A 27 2.628 -4.326 12.906 1.00 0.89 H new ATOM 0 HB3 ALA A 27 4.025 -5.428 12.890 1.00 0.89 H new ATOM 392 N ASN A 28 5.346 -6.009 10.160 1.00 0.63 N ATOM 393 CA ASN A 28 6.677 -6.275 9.653 1.00 0.67 C ATOM 394 C ASN A 28 6.684 -5.931 8.178 1.00 0.53 C ATOM 395 O ASN A 28 7.604 -5.262 7.722 1.00 0.57 O ATOM 396 CB ASN A 28 7.087 -7.731 9.854 1.00 0.79 C ATOM 397 CG ASN A 28 7.297 -8.074 11.321 1.00 1.17 C ATOM 398 OD1 ASN A 28 6.359 -8.071 12.115 1.00 1.80 O ATOM 399 ND2 ASN A 28 8.533 -8.350 11.718 1.00 2.54 N ATOM 0 H ASN A 28 4.780 -6.842 10.323 1.00 0.63 H new ATOM 0 HA ASN A 28 7.397 -5.669 10.202 1.00 0.67 H new ATOM 0 HB2 ASN A 28 6.320 -8.383 9.437 1.00 0.79 H new ATOM 0 HB3 ASN A 28 8.006 -7.927 9.302 1.00 0.79 H new ATOM 0 HD21 ASN A 28 8.718 -8.565 12.698 1.00 2.54 H new ATOM 0 HD22 ASN A 28 9.298 -8.347 11.043 1.00 2.54 H new ATOM 406 N LEU A 29 5.658 -6.328 7.426 1.00 0.44 N ATOM 407 CA LEU A 29 5.498 -5.842 6.067 1.00 0.40 C ATOM 408 C LEU A 29 5.525 -4.311 6.062 1.00 0.37 C ATOM 409 O LEU A 29 6.258 -3.706 5.285 1.00 0.35 O ATOM 410 CB LEU A 29 4.187 -6.356 5.472 1.00 0.45 C ATOM 411 CG LEU A 29 4.127 -7.859 5.172 1.00 0.62 C ATOM 412 CD1 LEU A 29 2.902 -8.118 4.293 1.00 0.98 C ATOM 413 CD2 LEU A 29 5.369 -8.401 4.463 1.00 0.68 C ATOM 0 H LEU A 29 4.935 -6.978 7.735 1.00 0.44 H new ATOM 0 HA LEU A 29 6.320 -6.213 5.455 1.00 0.40 H new ATOM 0 HB2 LEU A 29 3.378 -6.111 6.160 1.00 0.45 H new ATOM 0 HB3 LEU A 29 3.994 -5.813 4.547 1.00 0.45 H new ATOM 0 HG LEU A 29 4.070 -8.377 6.129 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.836 -9.182 4.065 1.00 0.98 H new ATOM 0 HD12 LEU A 29 2.002 -7.804 4.822 1.00 0.98 H new ATOM 0 HD13 LEU A 29 2.994 -7.553 3.365 1.00 0.98 H new ATOM 0 HD21 LEU A 29 5.250 -9.470 4.286 1.00 0.68 H new ATOM 0 HD22 LEU A 29 5.497 -7.888 3.510 1.00 0.68 H new ATOM 0 HD23 LEU A 29 6.247 -8.232 5.087 1.00 0.68 H new ATOM 425 N ALA A 30 4.753 -3.678 6.947 1.00 0.39 N ATOM 426 CA ALA A 30 4.680 -2.225 7.018 1.00 0.43 C ATOM 427 C ALA A 30 6.054 -1.608 7.263 1.00 0.52 C ATOM 428 O ALA A 30 6.430 -0.634 6.606 1.00 0.58 O ATOM 429 CB ALA A 30 3.657 -1.805 8.076 1.00 0.45 C ATOM 0 H ALA A 30 4.166 -4.158 7.629 1.00 0.39 H new ATOM 0 HA ALA A 30 4.342 -1.843 6.055 1.00 0.43 H new ATOM 0 HB1 ALA A 30 3.608 -0.717 8.123 1.00 0.45 H new ATOM 0 HB2 ALA A 30 2.677 -2.201 7.812 1.00 0.45 H new ATOM 0 HB3 ALA A 30 3.957 -2.197 9.048 1.00 0.45 H new ATOM 435 N SER A 31 6.808 -2.162 8.208 1.00 0.58 N ATOM 436 CA SER A 31 8.140 -1.707 8.503 1.00 0.69 C ATOM 437 C SER A 31 9.020 -1.897 7.266 1.00 0.63 C ATOM 438 O SER A 31 9.783 -1.010 6.907 1.00 0.64 O ATOM 439 CB SER A 31 8.657 -2.452 9.740 1.00 0.76 C ATOM 440 OG SER A 31 9.102 -3.757 9.437 1.00 0.97 O ATOM 0 H SER A 31 6.500 -2.943 8.787 1.00 0.58 H new ATOM 0 HA SER A 31 8.156 -0.643 8.741 1.00 0.69 H new ATOM 0 HB2 SER A 31 9.476 -1.886 10.185 1.00 0.76 H new ATOM 0 HB3 SER A 31 7.864 -2.506 10.486 1.00 0.76 H new ATOM 0 HG SER A 31 8.457 -4.192 8.841 1.00 0.97 H new ATOM 446 N ARG A 32 8.924 -3.050 6.605 1.00 0.61 N ATOM 447 CA ARG A 32 9.787 -3.413 5.502 1.00 0.55 C ATOM 448 C ARG A 32 9.567 -2.449 4.338 1.00 0.51 C ATOM 449 O ARG A 32 10.522 -1.877 3.821 1.00 0.51 O ATOM 450 CB ARG A 32 9.535 -4.884 5.142 1.00 0.60 C ATOM 451 CG ARG A 32 10.619 -5.471 4.256 1.00 0.75 C ATOM 452 CD ARG A 32 10.213 -5.510 2.781 1.00 2.39 C ATOM 453 NE ARG A 32 11.392 -5.790 1.954 1.00 3.18 N ATOM 454 CZ ARG A 32 12.035 -6.962 1.886 1.00 3.68 C ATOM 455 NH1 ARG A 32 11.490 -8.091 2.346 1.00 3.96 N ATOM 456 NH2 ARG A 32 13.260 -6.994 1.372 1.00 4.42 N ATOM 0 H ARG A 32 8.231 -3.763 6.831 1.00 0.61 H new ATOM 0 HA ARG A 32 10.839 -3.325 5.774 1.00 0.55 H new ATOM 0 HB2 ARG A 32 9.465 -5.470 6.058 1.00 0.60 H new ATOM 0 HB3 ARG A 32 8.574 -4.969 4.635 1.00 0.60 H new ATOM 0 HG2 ARG A 32 11.530 -4.882 4.363 1.00 0.75 H new ATOM 0 HG3 ARG A 32 10.851 -6.481 4.592 1.00 0.75 H new ATOM 0 HD2 ARG A 32 9.454 -6.276 2.622 1.00 2.39 H new ATOM 0 HD3 ARG A 32 9.770 -4.558 2.490 1.00 2.39 H new ATOM 0 HE ARG A 32 11.753 -5.026 1.382 1.00 3.18 H new ATOM 0 HH11 ARG A 32 10.559 -8.075 2.763 1.00 3.96 H new ATOM 0 HH12 ARG A 32 12.004 -8.969 2.280 1.00 3.96 H new ATOM 0 HH21 ARG A 32 13.695 -6.134 1.037 1.00 4.42 H new ATOM 0 HH22 ARG A 32 13.765 -7.878 1.312 1.00 4.42 H new ATOM 470 N ALA A 33 8.307 -2.227 3.966 1.00 0.53 N ATOM 471 CA ALA A 33 7.928 -1.296 2.916 1.00 0.57 C ATOM 472 C ALA A 33 8.518 0.086 3.208 1.00 0.63 C ATOM 473 O ALA A 33 9.195 0.680 2.364 1.00 0.69 O ATOM 474 CB ALA A 33 6.398 -1.245 2.820 1.00 0.56 C ATOM 0 H ALA A 33 7.511 -2.699 4.396 1.00 0.53 H new ATOM 0 HA ALA A 33 8.324 -1.629 1.957 1.00 0.57 H new ATOM 0 HB1 ALA A 33 6.106 -0.548 2.034 1.00 0.56 H new ATOM 0 HB2 ALA A 33 6.015 -2.238 2.585 1.00 0.56 H new ATOM 0 HB3 ALA A 33 5.985 -0.912 3.772 1.00 0.56 H new ATOM 480 N GLN A 34 8.255 0.582 4.420 1.00 0.68 N ATOM 481 CA GLN A 34 8.768 1.843 4.937 1.00 0.70 C ATOM 482 C GLN A 34 10.297 1.894 4.842 1.00 0.65 C ATOM 483 O GLN A 34 10.856 2.925 4.470 1.00 0.58 O ATOM 484 CB GLN A 34 8.307 1.967 6.398 1.00 0.77 C ATOM 485 CG GLN A 34 8.762 3.229 7.138 1.00 0.94 C ATOM 486 CD GLN A 34 7.657 4.270 7.212 1.00 1.10 C ATOM 487 OE1 GLN A 34 6.989 4.385 8.233 1.00 2.30 O ATOM 488 NE2 GLN A 34 7.436 5.015 6.137 1.00 1.64 N ATOM 0 H GLN A 34 7.657 0.095 5.088 1.00 0.68 H new ATOM 0 HA GLN A 34 8.386 2.676 4.346 1.00 0.70 H new ATOM 0 HB2 GLN A 34 7.218 1.929 6.420 1.00 0.77 H new ATOM 0 HB3 GLN A 34 8.667 1.097 6.947 1.00 0.77 H new ATOM 0 HG2 GLN A 34 9.080 2.964 8.146 1.00 0.94 H new ATOM 0 HG3 GLN A 34 9.629 3.654 6.632 1.00 0.94 H new ATOM 0 HE21 GLN A 34 8.012 4.892 5.304 1.00 1.64 H new ATOM 0 HE22 GLN A 34 6.690 5.711 6.143 1.00 1.64 H new ATOM 497 N ASN A 35 10.961 0.811 5.245 1.00 0.69 N ATOM 498 CA ASN A 35 12.412 0.706 5.333 1.00 0.63 C ATOM 499 C ASN A 35 13.000 0.794 3.931 1.00 0.61 C ATOM 500 O ASN A 35 13.827 1.661 3.678 1.00 0.64 O ATOM 501 CB ASN A 35 12.849 -0.599 6.023 1.00 0.70 C ATOM 502 CG ASN A 35 13.048 -0.475 7.535 1.00 0.93 C ATOM 503 OD1 ASN A 35 14.140 -0.699 8.048 1.00 1.57 O ATOM 504 ND2 ASN A 35 12.004 -0.153 8.288 1.00 2.21 N ATOM 0 H ASN A 35 10.484 -0.045 5.528 1.00 0.69 H new ATOM 0 HA ASN A 35 12.785 1.528 5.943 1.00 0.63 H new ATOM 0 HB2 ASN A 35 12.101 -1.367 5.829 1.00 0.70 H new ATOM 0 HB3 ASN A 35 13.781 -0.940 5.572 1.00 0.70 H new ATOM 0 HD21 ASN A 35 12.106 -0.090 9.301 1.00 2.21 H new ATOM 0 HD22 ASN A 35 11.100 0.032 7.854 1.00 2.21 H new ATOM 511 N TYR A 36 12.563 -0.069 3.009 1.00 0.71 N ATOM 512 CA TYR A 36 13.024 -0.057 1.624 1.00 0.83 C ATOM 513 C TYR A 36 12.934 1.358 1.065 1.00 0.85 C ATOM 514 O TYR A 36 13.912 1.902 0.558 1.00 0.91 O ATOM 515 CB TYR A 36 12.185 -1.026 0.778 1.00 0.97 C ATOM 516 CG TYR A 36 12.548 -1.063 -0.700 1.00 1.10 C ATOM 517 CD1 TYR A 36 12.027 -0.108 -1.599 1.00 2.01 C ATOM 518 CD2 TYR A 36 13.401 -2.069 -1.188 1.00 2.38 C ATOM 519 CE1 TYR A 36 12.380 -0.147 -2.959 1.00 2.25 C ATOM 520 CE2 TYR A 36 13.763 -2.096 -2.543 1.00 2.51 C ATOM 521 CZ TYR A 36 13.318 -1.087 -3.405 1.00 1.77 C ATOM 522 OH TYR A 36 13.785 -1.044 -4.685 1.00 2.24 O ATOM 0 H TYR A 36 11.877 -0.797 3.207 1.00 0.71 H new ATOM 0 HA TYR A 36 14.063 -0.383 1.589 1.00 0.83 H new ATOM 0 HB2 TYR A 36 12.291 -2.030 1.189 1.00 0.97 H new ATOM 0 HB3 TYR A 36 11.134 -0.752 0.873 1.00 0.97 H new ATOM 0 HD1 TYR A 36 11.354 0.657 -1.240 1.00 2.01 H new ATOM 0 HD2 TYR A 36 13.779 -2.825 -0.516 1.00 2.38 H new ATOM 0 HE1 TYR A 36 11.930 0.544 -3.657 1.00 2.25 H new ATOM 0 HE2 TYR A 36 14.384 -2.894 -2.921 1.00 2.51 H new ATOM 0 HH TYR A 36 14.429 -1.769 -4.823 1.00 2.24 H new ATOM 532 N ALA A 37 11.742 1.943 1.169 1.00 0.86 N ATOM 533 CA ALA A 37 11.481 3.281 0.681 1.00 0.92 C ATOM 534 C ALA A 37 12.482 4.264 1.285 1.00 0.83 C ATOM 535 O ALA A 37 13.153 5.003 0.568 1.00 0.96 O ATOM 536 CB ALA A 37 10.043 3.643 1.037 1.00 0.99 C ATOM 0 H ALA A 37 10.932 1.494 1.597 1.00 0.86 H new ATOM 0 HA ALA A 37 11.601 3.329 -0.401 1.00 0.92 H new ATOM 0 HB1 ALA A 37 9.822 4.649 0.679 1.00 0.99 H new ATOM 0 HB2 ALA A 37 9.362 2.933 0.568 1.00 0.99 H new ATOM 0 HB3 ALA A 37 9.916 3.607 2.119 1.00 0.99 H new ATOM 542 N ASN A 38 12.594 4.255 2.613 1.00 0.66 N ATOM 543 CA ASN A 38 13.532 5.091 3.354 1.00 0.63 C ATOM 544 C ASN A 38 14.935 4.982 2.784 1.00 0.64 C ATOM 545 O ASN A 38 15.581 5.987 2.490 1.00 0.70 O ATOM 546 CB ASN A 38 13.568 4.698 4.834 1.00 0.64 C ATOM 547 CG ASN A 38 12.844 5.718 5.683 1.00 0.84 C ATOM 548 OD1 ASN A 38 13.448 6.685 6.135 1.00 1.63 O ATOM 549 ND2 ASN A 38 11.559 5.519 5.924 1.00 1.57 N ATOM 0 H ASN A 38 12.025 3.656 3.212 1.00 0.66 H new ATOM 0 HA ASN A 38 13.184 6.120 3.259 1.00 0.63 H new ATOM 0 HB2 ASN A 38 13.108 3.718 4.965 1.00 0.64 H new ATOM 0 HB3 ASN A 38 14.603 4.612 5.166 1.00 0.64 H new ATOM 0 HD21 ASN A 38 11.040 6.181 6.501 1.00 1.57 H new ATOM 0 HD22 ASN A 38 11.087 4.704 5.532 1.00 1.57 H new ATOM 556 N SER A 39 15.427 3.759 2.636 1.00 0.67 N ATOM 557 CA SER A 39 16.784 3.522 2.195 1.00 0.77 C ATOM 558 C SER A 39 16.955 3.752 0.690 1.00 0.94 C ATOM 559 O SER A 39 18.066 3.575 0.189 1.00 1.51 O ATOM 560 CB SER A 39 17.202 2.114 2.616 1.00 0.99 C ATOM 561 OG SER A 39 16.717 1.834 3.919 1.00 2.08 O ATOM 0 H SER A 39 14.894 2.909 2.819 1.00 0.67 H new ATOM 0 HA SER A 39 17.443 4.246 2.674 1.00 0.77 H new ATOM 0 HB2 SER A 39 16.811 1.383 1.908 1.00 0.99 H new ATOM 0 HB3 SER A 39 18.288 2.027 2.597 1.00 0.99 H new ATOM 0 HG SER A 39 15.764 1.609 3.872 1.00 2.08 H new ATOM 567 N ARG A 40 15.901 4.136 -0.038 1.00 0.90 N ATOM 568 CA ARG A 40 16.017 4.683 -1.383 1.00 1.16 C ATOM 569 C ARG A 40 15.618 6.157 -1.410 1.00 1.16 C ATOM 570 O ARG A 40 15.418 6.714 -2.487 1.00 1.63 O ATOM 571 CB ARG A 40 15.181 3.880 -2.386 1.00 1.46 C ATOM 572 CG ARG A 40 15.724 2.462 -2.565 1.00 1.70 C ATOM 573 CD ARG A 40 15.124 1.776 -3.795 1.00 1.70 C ATOM 574 NE ARG A 40 15.577 2.377 -5.067 1.00 2.00 N ATOM 575 CZ ARG A 40 15.845 1.695 -6.191 1.00 3.00 C ATOM 576 NH1 ARG A 40 15.530 0.405 -6.300 1.00 3.63 N ATOM 577 NH2 ARG A 40 16.438 2.273 -7.228 1.00 3.84 N ATOM 0 H ARG A 40 14.940 4.073 0.297 1.00 0.90 H new ATOM 0 HA ARG A 40 17.063 4.605 -1.680 1.00 1.16 H new ATOM 0 HB2 ARG A 40 14.147 3.834 -2.044 1.00 1.46 H new ATOM 0 HB3 ARG A 40 15.176 4.392 -3.348 1.00 1.46 H new ATOM 0 HG2 ARG A 40 16.809 2.498 -2.661 1.00 1.70 H new ATOM 0 HG3 ARG A 40 15.502 1.873 -1.675 1.00 1.70 H new ATOM 0 HD2 ARG A 40 15.392 0.720 -3.782 1.00 1.70 H new ATOM 0 HD3 ARG A 40 14.037 1.830 -3.741 1.00 1.70 H new ATOM 0 HE ARG A 40 15.695 3.390 -5.092 1.00 2.00 H new ATOM 0 HH11 ARG A 40 15.079 -0.077 -5.523 1.00 3.63 H new ATOM 0 HH12 ARG A 40 15.740 -0.100 -7.161 1.00 3.63 H new ATOM 0 HH21 ARG A 40 16.701 3.257 -7.182 1.00 3.84 H new ATOM 0 HH22 ARG A 40 16.631 1.733 -8.071 1.00 3.84 H new ATOM 591 N ALA A 41 15.541 6.833 -0.261 1.00 1.15 N ATOM 592 CA ALA A 41 15.419 8.280 -0.229 1.00 1.25 C ATOM 593 C ALA A 41 16.743 8.851 -0.730 1.00 1.48 C ATOM 594 O ALA A 41 17.645 9.167 0.042 1.00 2.96 O ATOM 595 CB ALA A 41 15.064 8.767 1.178 1.00 1.29 C ATOM 0 H ALA A 41 15.562 6.393 0.659 1.00 1.15 H new ATOM 0 HA ALA A 41 14.607 8.623 -0.871 1.00 1.25 H new ATOM 0 HB1 ALA A 41 14.978 9.854 1.176 1.00 1.29 H new ATOM 0 HB2 ALA A 41 14.115 8.329 1.486 1.00 1.29 H new ATOM 0 HB3 ALA A 41 15.846 8.466 1.875 1.00 1.29 H new ATOM 601 N GLY A 42 16.872 8.893 -2.047 1.00 1.27 N ATOM 602 CA GLY A 42 18.106 9.073 -2.782 1.00 1.37 C ATOM 603 C GLY A 42 17.849 8.699 -4.235 1.00 1.39 C ATOM 604 O GLY A 42 18.060 9.508 -5.135 1.00 1.69 O ATOM 0 H GLY A 42 16.066 8.796 -2.665 1.00 1.27 H new ATOM 0 HA2 GLY A 42 18.445 10.106 -2.709 1.00 1.37 H new ATOM 0 HA3 GLY A 42 18.894 8.448 -2.362 1.00 1.37 H new ATOM 608 N ASP A 43 17.370 7.473 -4.442 1.00 1.33 N ATOM 609 CA ASP A 43 17.180 6.816 -5.720 1.00 1.76 C ATOM 610 C ASP A 43 15.812 6.148 -5.647 1.00 2.13 C ATOM 611 O ASP A 43 15.621 4.965 -5.927 1.00 3.71 O ATOM 612 CB ASP A 43 18.338 5.844 -6.017 1.00 2.05 C ATOM 613 CG ASP A 43 18.257 4.520 -5.286 1.00 3.15 C ATOM 614 OD1 ASP A 43 18.063 4.511 -4.055 1.00 3.95 O ATOM 615 OD2 ASP A 43 18.374 3.487 -5.979 1.00 4.03 O ATOM 0 H ASP A 43 17.087 6.878 -3.663 1.00 1.33 H new ATOM 0 HA ASP A 43 17.197 7.515 -6.556 1.00 1.76 H new ATOM 0 HB2 ASP A 43 18.366 5.650 -7.089 1.00 2.05 H new ATOM 0 HB3 ASP A 43 19.278 6.330 -5.757 1.00 2.05 H new ATOM 620 N CYS A 44 14.814 6.963 -5.313 1.00 1.19 N ATOM 621 CA CYS A 44 13.521 6.478 -4.848 1.00 1.30 C ATOM 622 C CYS A 44 12.837 5.917 -6.088 1.00 1.25 C ATOM 623 O CYS A 44 12.356 4.787 -6.112 1.00 2.40 O ATOM 624 CB CYS A 44 12.714 7.673 -4.294 1.00 1.48 C ATOM 625 SG CYS A 44 12.277 7.661 -2.542 1.00 2.34 S ATOM 0 H CYS A 44 14.881 7.980 -5.358 1.00 1.19 H new ATOM 0 HA CYS A 44 13.606 5.728 -4.061 1.00 1.30 H new ATOM 0 HB2 CYS A 44 13.285 8.581 -4.490 1.00 1.48 H new ATOM 0 HB3 CYS A 44 11.790 7.747 -4.868 1.00 1.48 H new ATOM 630 N ASN A 45 12.931 6.695 -7.163 1.00 1.47 N ATOM 631 CA ASN A 45 12.425 6.387 -8.495 1.00 1.91 C ATOM 632 C ASN A 45 11.029 5.746 -8.392 1.00 1.95 C ATOM 633 O ASN A 45 10.212 6.218 -7.602 1.00 3.19 O ATOM 634 CB ASN A 45 13.480 5.553 -9.240 1.00 2.33 C ATOM 635 CG ASN A 45 13.214 5.454 -10.736 1.00 3.50 C ATOM 636 OD1 ASN A 45 12.247 6.003 -11.250 1.00 4.43 O ATOM 637 ND2 ASN A 45 14.026 4.691 -11.448 1.00 4.22 N ATOM 0 H ASN A 45 13.387 7.606 -7.125 1.00 1.47 H new ATOM 0 HA ASN A 45 12.273 7.286 -9.092 1.00 1.91 H new ATOM 0 HB2 ASN A 45 14.463 5.995 -9.080 1.00 2.33 H new ATOM 0 HB3 ASN A 45 13.508 4.550 -8.815 1.00 2.33 H new ATOM 0 HD21 ASN A 45 13.852 4.551 -12.443 1.00 4.22 H new ATOM 0 HD22 ASN A 45 14.826 4.242 -11.002 1.00 4.22 H new ATOM 644 N LEU A 46 10.749 4.672 -9.135 1.00 1.47 N ATOM 645 CA LEU A 46 9.585 3.808 -8.963 1.00 1.28 C ATOM 646 C LEU A 46 10.016 2.366 -9.236 1.00 1.31 C ATOM 647 O LEU A 46 9.300 1.596 -9.876 1.00 1.65 O ATOM 648 CB LEU A 46 8.452 4.230 -9.912 1.00 1.44 C ATOM 649 CG LEU A 46 7.684 5.486 -9.481 1.00 1.42 C ATOM 650 CD1 LEU A 46 6.731 5.854 -10.619 1.00 1.89 C ATOM 651 CD2 LEU A 46 6.876 5.239 -8.197 1.00 1.30 C ATOM 0 H LEU A 46 11.352 4.372 -9.901 1.00 1.47 H new ATOM 0 HA LEU A 46 9.204 3.893 -7.945 1.00 1.28 H new ATOM 0 HB2 LEU A 46 8.872 4.401 -10.903 1.00 1.44 H new ATOM 0 HB3 LEU A 46 7.747 3.404 -10.003 1.00 1.44 H new ATOM 0 HG LEU A 46 8.390 6.291 -9.274 1.00 1.42 H new ATOM 0 HD11 LEU A 46 6.166 6.746 -10.347 1.00 1.89 H new ATOM 0 HD12 LEU A 46 7.305 6.050 -11.525 1.00 1.89 H new ATOM 0 HD13 LEU A 46 6.042 5.029 -10.798 1.00 1.89 H new ATOM 0 HD21 LEU A 46 6.345 6.150 -7.921 1.00 1.30 H new ATOM 0 HD22 LEU A 46 6.158 4.437 -8.368 1.00 1.30 H new ATOM 0 HD23 LEU A 46 7.552 4.955 -7.391 1.00 1.30 H new ATOM 718 N ALA A 51 9.135 -8.099 -4.772 1.00 3.22 N ATOM 719 CA ALA A 51 7.959 -8.865 -4.398 1.00 3.20 C ATOM 720 C ALA A 51 6.665 -8.108 -4.682 1.00 1.96 C ATOM 721 O ALA A 51 6.519 -7.448 -5.716 1.00 2.72 O ATOM 722 CB ALA A 51 8.122 -9.302 -2.945 1.00 4.96 C ATOM 0 HA ALA A 51 7.876 -9.760 -5.015 1.00 3.20 H new ATOM 0 HB1 ALA A 51 7.250 -9.880 -2.639 1.00 4.96 H new ATOM 0 HB2 ALA A 51 9.017 -9.916 -2.848 1.00 4.96 H new ATOM 0 HB3 ALA A 51 8.215 -8.422 -2.309 1.00 4.96 H new ATOM 728 N GLY A 52 5.701 -8.214 -3.775 1.00 1.81 N ATOM 729 CA GLY A 52 4.343 -7.738 -3.964 1.00 1.03 C ATOM 730 C GLY A 52 4.208 -6.223 -3.818 1.00 1.12 C ATOM 731 O GLY A 52 3.094 -5.732 -3.669 1.00 2.11 O ATOM 0 H GLY A 52 5.851 -8.646 -2.863 1.00 1.81 H new ATOM 0 HA2 GLY A 52 3.997 -8.033 -4.954 1.00 1.03 H new ATOM 0 HA3 GLY A 52 3.690 -8.225 -3.240 1.00 1.03 H new ATOM 735 N GLU A 53 5.300 -5.454 -3.896 1.00 1.20 N ATOM 736 CA GLU A 53 5.293 -4.121 -3.322 1.00 1.24 C ATOM 737 C GLU A 53 4.671 -3.133 -4.303 1.00 1.43 C ATOM 738 O GLU A 53 5.240 -2.861 -5.360 1.00 2.31 O ATOM 739 CB GLU A 53 6.715 -3.714 -2.881 1.00 1.46 C ATOM 740 CG GLU A 53 6.776 -3.682 -1.345 1.00 1.80 C ATOM 741 CD GLU A 53 8.175 -3.831 -0.789 1.00 2.76 C ATOM 742 OE1 GLU A 53 8.740 -4.939 -0.917 1.00 3.39 O ATOM 743 OE2 GLU A 53 8.757 -2.813 -0.364 1.00 3.73 O ATOM 0 H GLU A 53 6.175 -5.730 -4.341 1.00 1.20 H new ATOM 0 HA GLU A 53 4.675 -4.113 -2.424 1.00 1.24 H new ATOM 0 HB2 GLU A 53 7.447 -4.421 -3.272 1.00 1.46 H new ATOM 0 HB3 GLU A 53 6.969 -2.735 -3.288 1.00 1.46 H new ATOM 0 HG2 GLU A 53 6.353 -2.741 -0.993 1.00 1.80 H new ATOM 0 HG3 GLU A 53 6.150 -4.481 -0.949 1.00 1.80 H new ATOM 750 N ASN A 54 3.483 -2.635 -3.956 1.00 0.80 N ATOM 751 CA ASN A 54 2.682 -1.720 -4.761 1.00 0.84 C ATOM 752 C ASN A 54 3.179 -0.308 -4.483 1.00 0.63 C ATOM 753 O ASN A 54 3.032 0.170 -3.359 1.00 1.04 O ATOM 754 CB ASN A 54 1.204 -1.860 -4.377 1.00 1.28 C ATOM 755 CG ASN A 54 0.249 -1.322 -5.425 1.00 1.04 C ATOM 756 OD1 ASN A 54 0.593 -0.456 -6.219 1.00 2.20 O ATOM 757 ND2 ASN A 54 -0.959 -1.871 -5.458 1.00 1.34 N ATOM 0 H ASN A 54 3.037 -2.870 -3.069 1.00 0.80 H new ATOM 0 HA ASN A 54 2.777 -1.945 -5.823 1.00 0.84 H new ATOM 0 HB2 ASN A 54 0.981 -2.912 -4.201 1.00 1.28 H new ATOM 0 HB3 ASN A 54 1.031 -1.336 -3.437 1.00 1.28 H new ATOM 0 HD21 ASN A 54 -1.635 -1.574 -6.161 1.00 1.34 H new ATOM 0 HD22 ASN A 54 -1.211 -2.590 -4.780 1.00 1.34 H new ATOM 764 N LEU A 55 3.842 0.321 -5.452 1.00 0.44 N ATOM 765 CA LEU A 55 4.493 1.614 -5.263 1.00 0.39 C ATOM 766 C LEU A 55 3.555 2.748 -5.682 1.00 0.39 C ATOM 767 O LEU A 55 2.621 2.535 -6.456 1.00 0.55 O ATOM 768 CB LEU A 55 5.797 1.675 -6.075 1.00 0.57 C ATOM 769 CG LEU A 55 6.763 0.507 -5.801 1.00 0.58 C ATOM 770 CD1 LEU A 55 8.035 0.645 -6.649 1.00 0.73 C ATOM 771 CD2 LEU A 55 7.116 0.411 -4.314 1.00 0.61 C ATOM 0 H LEU A 55 3.943 -0.055 -6.395 1.00 0.44 H new ATOM 0 HA LEU A 55 4.732 1.733 -4.206 1.00 0.39 H new ATOM 0 HB2 LEU A 55 5.551 1.688 -7.137 1.00 0.57 H new ATOM 0 HB3 LEU A 55 6.306 2.613 -5.855 1.00 0.57 H new ATOM 0 HG LEU A 55 6.256 -0.415 -6.084 1.00 0.58 H new ATOM 0 HD11 LEU A 55 8.704 -0.190 -6.440 1.00 0.73 H new ATOM 0 HD12 LEU A 55 7.770 0.642 -7.706 1.00 0.73 H new ATOM 0 HD13 LEU A 55 8.536 1.581 -6.404 1.00 0.73 H new ATOM 0 HD21 LEU A 55 7.799 -0.423 -4.155 1.00 0.61 H new ATOM 0 HD22 LEU A 55 7.593 1.337 -3.993 1.00 0.61 H new ATOM 0 HD23 LEU A 55 6.207 0.251 -3.734 1.00 0.61 H new ATOM 783 N ALA A 56 3.812 3.964 -5.202 1.00 0.41 N ATOM 784 CA ALA A 56 3.203 5.181 -5.711 1.00 0.42 C ATOM 785 C ALA A 56 4.084 6.367 -5.335 1.00 0.43 C ATOM 786 O ALA A 56 4.696 6.354 -4.267 1.00 0.53 O ATOM 787 CB ALA A 56 1.803 5.365 -5.127 1.00 0.49 C ATOM 0 H ALA A 56 4.463 4.128 -4.434 1.00 0.41 H new ATOM 0 HA ALA A 56 3.113 5.114 -6.795 1.00 0.42 H new ATOM 0 HB1 ALA A 56 1.363 6.282 -5.520 1.00 0.49 H new ATOM 0 HB2 ALA A 56 1.179 4.515 -5.403 1.00 0.49 H new ATOM 0 HB3 ALA A 56 1.867 5.430 -4.041 1.00 0.49 H new ATOM 793 N LYS A 57 4.121 7.398 -6.177 1.00 0.59 N ATOM 794 CA LYS A 57 4.802 8.648 -5.872 1.00 0.59 C ATOM 795 C LYS A 57 3.777 9.772 -5.812 1.00 0.73 C ATOM 796 O LYS A 57 2.735 9.693 -6.468 1.00 1.10 O ATOM 797 CB LYS A 57 5.891 8.953 -6.911 1.00 0.88 C ATOM 798 CG LYS A 57 5.371 9.083 -8.353 1.00 1.32 C ATOM 799 CD LYS A 57 6.529 9.549 -9.245 1.00 1.78 C ATOM 800 CE LYS A 57 6.184 9.627 -10.740 1.00 2.36 C ATOM 801 NZ LYS A 57 5.273 10.734 -11.090 1.00 3.55 N ATOM 0 H LYS A 57 3.676 7.386 -7.095 1.00 0.59 H new ATOM 0 HA LYS A 57 5.296 8.559 -4.904 1.00 0.59 H new ATOM 0 HB2 LYS A 57 6.393 9.880 -6.633 1.00 0.88 H new ATOM 0 HB3 LYS A 57 6.641 8.162 -6.877 1.00 0.88 H new ATOM 0 HG2 LYS A 57 4.983 8.127 -8.704 1.00 1.32 H new ATOM 0 HG3 LYS A 57 4.548 9.796 -8.397 1.00 1.32 H new ATOM 0 HD2 LYS A 57 6.859 10.532 -8.908 1.00 1.78 H new ATOM 0 HD3 LYS A 57 7.370 8.868 -9.113 1.00 1.78 H new ATOM 0 HE2 LYS A 57 7.107 9.736 -11.310 1.00 2.36 H new ATOM 0 HE3 LYS A 57 5.729 8.685 -11.047 1.00 2.36 H new ATOM 0 HZ1 LYS A 57 5.088 10.721 -12.113 1.00 3.55 H new ATOM 0 HZ2 LYS A 57 4.377 10.622 -10.574 1.00 3.55 H new ATOM 0 HZ3 LYS A 57 5.712 11.640 -10.829 1.00 3.55 H new ATOM 815 N GLY A 58 4.092 10.838 -5.084 1.00 0.68 N ATOM 816 CA GLY A 58 3.375 12.087 -5.230 1.00 0.96 C ATOM 817 C GLY A 58 4.089 13.193 -4.470 1.00 0.88 C ATOM 818 O GLY A 58 4.963 12.909 -3.647 1.00 2.05 O ATOM 0 H GLY A 58 4.839 10.856 -4.390 1.00 0.68 H new ATOM 0 HA2 GLY A 58 3.300 12.351 -6.285 1.00 0.96 H new ATOM 0 HA3 GLY A 58 2.357 11.977 -4.856 1.00 0.96 H new ATOM 822 N GLY A 59 3.712 14.439 -4.737 1.00 1.20 N ATOM 823 CA GLY A 59 4.371 15.630 -4.233 1.00 1.23 C ATOM 824 C GLY A 59 4.093 15.847 -2.751 1.00 1.39 C ATOM 825 O GLY A 59 4.776 15.264 -1.912 1.00 2.67 O ATOM 0 H GLY A 59 2.911 14.650 -5.332 1.00 1.20 H new ATOM 0 HA2 GLY A 59 5.446 15.545 -4.392 1.00 1.23 H new ATOM 0 HA3 GLY A 59 4.032 16.499 -4.797 1.00 1.23 H new ATOM 829 N GLY A 60 3.114 16.692 -2.425 1.00 1.14 N ATOM 830 CA GLY A 60 2.853 17.154 -1.069 1.00 1.71 C ATOM 831 C GLY A 60 2.177 16.072 -0.236 1.00 1.60 C ATOM 832 O GLY A 60 2.780 15.045 0.060 1.00 2.34 O ATOM 0 H GLY A 60 2.469 17.080 -3.114 1.00 1.14 H new ATOM 0 HA2 GLY A 60 3.790 17.448 -0.596 1.00 1.71 H new ATOM 0 HA3 GLY A 60 2.220 18.041 -1.100 1.00 1.71 H new ATOM 836 N ASP A 61 0.913 16.257 0.136 1.00 1.59 N ATOM 837 CA ASP A 61 0.175 15.272 0.916 1.00 1.70 C ATOM 838 C ASP A 61 -0.540 14.302 -0.027 1.00 1.35 C ATOM 839 O ASP A 61 -1.766 14.236 -0.067 1.00 1.62 O ATOM 840 CB ASP A 61 -0.775 15.956 1.910 1.00 2.32 C ATOM 841 CG ASP A 61 -1.922 16.664 1.232 1.00 2.47 C ATOM 842 OD1 ASP A 61 -1.638 17.483 0.334 1.00 2.75 O ATOM 843 OD2 ASP A 61 -3.090 16.387 1.577 1.00 3.17 O ATOM 0 H ASP A 61 0.374 17.092 -0.095 1.00 1.59 H new ATOM 0 HA ASP A 61 0.869 14.688 1.520 1.00 1.70 H new ATOM 0 HB2 ASP A 61 -1.171 15.210 2.599 1.00 2.32 H new ATOM 0 HB3 ASP A 61 -0.213 16.674 2.507 1.00 2.32 H new ATOM 848 N PHE A 62 0.213 13.514 -0.795 1.00 1.14 N ATOM 849 CA PHE A 62 -0.396 12.438 -1.567 1.00 1.01 C ATOM 850 C PHE A 62 -0.703 11.297 -0.599 1.00 0.99 C ATOM 851 O PHE A 62 0.177 10.487 -0.312 1.00 1.48 O ATOM 852 CB PHE A 62 0.544 11.983 -2.689 1.00 1.05 C ATOM 853 CG PHE A 62 -0.078 11.005 -3.660 1.00 1.11 C ATOM 854 CD1 PHE A 62 -1.281 11.321 -4.313 1.00 2.05 C ATOM 855 CD2 PHE A 62 0.478 9.720 -3.799 1.00 1.61 C ATOM 856 CE1 PHE A 62 -1.988 10.323 -5.003 1.00 2.23 C ATOM 857 CE2 PHE A 62 -0.200 8.740 -4.536 1.00 1.63 C ATOM 858 CZ PHE A 62 -1.447 9.031 -5.108 1.00 1.45 C ATOM 0 H PHE A 62 1.224 13.599 -0.897 1.00 1.14 H new ATOM 0 HA PHE A 62 -1.315 12.777 -2.045 1.00 1.01 H new ATOM 0 HB2 PHE A 62 0.884 12.859 -3.241 1.00 1.05 H new ATOM 0 HB3 PHE A 62 1.427 11.524 -2.244 1.00 1.05 H new ATOM 0 HD1 PHE A 62 -1.662 12.331 -4.284 1.00 2.05 H new ATOM 0 HD2 PHE A 62 1.427 9.489 -3.338 1.00 1.61 H new ATOM 0 HE1 PHE A 62 -2.944 10.548 -5.451 1.00 2.23 H new ATOM 0 HE2 PHE A 62 0.238 7.761 -4.664 1.00 1.63 H new ATOM 0 HZ PHE A 62 -1.993 8.260 -5.631 1.00 1.45 H new ATOM 868 N THR A 63 -1.897 11.249 -0.017 1.00 0.93 N ATOM 869 CA THR A 63 -2.103 10.382 1.132 1.00 0.68 C ATOM 870 C THR A 63 -2.159 8.913 0.687 1.00 0.87 C ATOM 871 O THR A 63 -2.529 8.596 -0.442 1.00 1.74 O ATOM 872 CB THR A 63 -3.355 10.832 1.892 1.00 0.63 C ATOM 873 OG1 THR A 63 -4.506 10.874 1.069 1.00 1.01 O ATOM 874 CG2 THR A 63 -3.144 12.209 2.520 1.00 0.97 C ATOM 0 H THR A 63 -2.714 11.784 -0.313 1.00 0.93 H new ATOM 0 HA THR A 63 -1.262 10.460 1.821 1.00 0.68 H new ATOM 0 HB THR A 63 -3.521 10.088 2.671 1.00 0.63 H new ATOM 0 HG1 THR A 63 -4.762 11.807 0.912 1.00 1.01 H new ATOM 0 HG21 THR A 63 -4.046 12.507 3.054 1.00 0.97 H new ATOM 0 HG22 THR A 63 -2.307 12.167 3.217 1.00 0.97 H new ATOM 0 HG23 THR A 63 -2.928 12.937 1.738 1.00 0.97 H new ATOM 882 N GLY A 64 -1.760 7.997 1.569 1.00 0.46 N ATOM 883 CA GLY A 64 -1.702 6.577 1.257 1.00 0.44 C ATOM 884 C GLY A 64 -3.047 6.061 0.743 1.00 0.35 C ATOM 885 O GLY A 64 -3.100 5.301 -0.220 1.00 0.36 O ATOM 0 H GLY A 64 -1.468 8.223 2.520 1.00 0.46 H new ATOM 0 HA2 GLY A 64 -0.932 6.399 0.506 1.00 0.44 H new ATOM 0 HA3 GLY A 64 -1.413 6.019 2.148 1.00 0.44 H new ATOM 889 N ARG A 65 -4.145 6.513 1.350 1.00 0.34 N ATOM 890 CA ARG A 65 -5.494 6.228 0.882 1.00 0.36 C ATOM 891 C ARG A 65 -5.618 6.573 -0.605 1.00 0.37 C ATOM 892 O ARG A 65 -6.086 5.761 -1.399 1.00 0.41 O ATOM 893 CB ARG A 65 -6.488 7.039 1.724 1.00 0.46 C ATOM 894 CG ARG A 65 -7.912 6.486 1.764 1.00 0.88 C ATOM 895 CD ARG A 65 -8.787 6.937 0.584 1.00 1.74 C ATOM 896 NE ARG A 65 -10.162 6.418 0.703 1.00 1.99 N ATOM 897 CZ ARG A 65 -11.031 6.734 1.676 1.00 2.12 C ATOM 898 NH1 ARG A 65 -10.789 7.760 2.489 1.00 2.78 N ATOM 899 NH2 ARG A 65 -12.144 6.024 1.833 1.00 2.83 N ATOM 0 H ARG A 65 -4.118 7.093 2.189 1.00 0.34 H new ATOM 0 HA ARG A 65 -5.715 5.167 0.995 1.00 0.36 H new ATOM 0 HB2 ARG A 65 -6.110 7.099 2.745 1.00 0.46 H new ATOM 0 HB3 ARG A 65 -6.522 8.057 1.336 1.00 0.46 H new ATOM 0 HG2 ARG A 65 -7.868 5.397 1.776 1.00 0.88 H new ATOM 0 HG3 ARG A 65 -8.386 6.796 2.695 1.00 0.88 H new ATOM 0 HD2 ARG A 65 -8.810 8.026 0.542 1.00 1.74 H new ATOM 0 HD3 ARG A 65 -8.346 6.591 -0.351 1.00 1.74 H new ATOM 0 HE ARG A 65 -10.479 5.765 -0.013 1.00 1.99 H new ATOM 0 HH11 ARG A 65 -9.939 8.312 2.375 1.00 2.78 H new ATOM 0 HH12 ARG A 65 -11.454 7.994 3.226 1.00 2.78 H new ATOM 0 HH21 ARG A 65 -12.339 5.237 1.213 1.00 2.83 H new ATOM 0 HH22 ARG A 65 -12.803 6.266 2.573 1.00 2.83 H new ATOM 913 N ALA A 66 -5.190 7.779 -0.979 1.00 0.39 N ATOM 914 CA ALA A 66 -5.221 8.254 -2.355 1.00 0.48 C ATOM 915 C ALA A 66 -4.356 7.368 -3.255 1.00 0.47 C ATOM 916 O ALA A 66 -4.707 7.141 -4.411 1.00 0.53 O ATOM 917 CB ALA A 66 -4.775 9.718 -2.404 1.00 0.60 C ATOM 0 H ALA A 66 -4.808 8.460 -0.323 1.00 0.39 H new ATOM 0 HA ALA A 66 -6.242 8.195 -2.733 1.00 0.48 H new ATOM 0 HB1 ALA A 66 -4.799 10.071 -3.435 1.00 0.60 H new ATOM 0 HB2 ALA A 66 -5.448 10.324 -1.797 1.00 0.60 H new ATOM 0 HB3 ALA A 66 -3.760 9.802 -2.015 1.00 0.60 H new ATOM 923 N ALA A 67 -3.236 6.852 -2.742 1.00 0.46 N ATOM 924 CA ALA A 67 -2.420 5.894 -3.476 1.00 0.51 C ATOM 925 C ALA A 67 -3.195 4.607 -3.750 1.00 0.43 C ATOM 926 O ALA A 67 -3.266 4.183 -4.901 1.00 0.49 O ATOM 927 CB ALA A 67 -1.100 5.614 -2.761 1.00 0.57 C ATOM 0 H ALA A 67 -2.876 7.086 -1.817 1.00 0.46 H new ATOM 0 HA ALA A 67 -2.173 6.342 -4.439 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -0.519 4.895 -3.338 1.00 0.57 H new ATOM 0 HB2 ALA A 67 -0.536 6.541 -2.663 1.00 0.57 H new ATOM 0 HB3 ALA A 67 -1.302 5.205 -1.771 1.00 0.57 H new ATOM 933 N VAL A 68 -3.806 3.986 -2.739 1.00 0.34 N ATOM 934 CA VAL A 68 -4.616 2.798 -3.004 1.00 0.33 C ATOM 935 C VAL A 68 -5.723 3.141 -3.997 1.00 0.39 C ATOM 936 O VAL A 68 -5.975 2.409 -4.948 1.00 0.46 O ATOM 937 CB VAL A 68 -5.175 2.147 -1.732 1.00 0.32 C ATOM 938 CG1 VAL A 68 -5.720 0.751 -2.077 1.00 0.36 C ATOM 939 CG2 VAL A 68 -4.089 1.968 -0.674 1.00 0.33 C ATOM 0 H VAL A 68 -3.759 4.274 -1.762 1.00 0.34 H new ATOM 0 HA VAL A 68 -3.960 2.047 -3.444 1.00 0.33 H new ATOM 0 HB VAL A 68 -5.957 2.798 -1.341 1.00 0.32 H new ATOM 0 HG11 VAL A 68 -6.119 0.283 -1.177 1.00 0.36 H new ATOM 0 HG12 VAL A 68 -6.513 0.843 -2.820 1.00 0.36 H new ATOM 0 HG13 VAL A 68 -4.915 0.136 -2.480 1.00 0.36 H new ATOM 0 HG21 VAL A 68 -4.519 1.504 0.214 1.00 0.33 H new ATOM 0 HG22 VAL A 68 -3.298 1.331 -1.069 1.00 0.33 H new ATOM 0 HG23 VAL A 68 -3.674 2.941 -0.410 1.00 0.33 H new ATOM 949 N GLN A 69 -6.357 4.292 -3.817 1.00 0.39 N ATOM 950 CA GLN A 69 -7.335 4.772 -4.769 1.00 0.47 C ATOM 951 C GLN A 69 -6.734 4.971 -6.166 1.00 0.52 C ATOM 952 O GLN A 69 -7.469 4.827 -7.141 1.00 0.61 O ATOM 953 CB GLN A 69 -8.015 6.030 -4.217 1.00 0.58 C ATOM 954 CG GLN A 69 -9.183 5.682 -3.279 1.00 0.70 C ATOM 955 CD GLN A 69 -10.349 4.995 -3.989 1.00 1.92 C ATOM 956 OE1 GLN A 69 -10.440 3.772 -4.021 1.00 3.22 O ATOM 957 NE2 GLN A 69 -11.280 5.755 -4.545 1.00 2.55 N ATOM 0 H GLN A 69 -6.207 4.907 -3.017 1.00 0.39 H new ATOM 0 HA GLN A 69 -8.103 4.010 -4.901 1.00 0.47 H new ATOM 0 HB2 GLN A 69 -7.283 6.632 -3.679 1.00 0.58 H new ATOM 0 HB3 GLN A 69 -8.382 6.638 -5.044 1.00 0.58 H new ATOM 0 HG2 GLN A 69 -8.819 5.032 -2.483 1.00 0.70 H new ATOM 0 HG3 GLN A 69 -9.543 6.595 -2.805 1.00 0.70 H new ATOM 0 HE21 GLN A 69 -11.195 6.771 -4.513 1.00 2.55 H new ATOM 0 HE22 GLN A 69 -12.082 5.324 -5.005 1.00 2.55 H new ATOM 966 N LEU A 70 -5.434 5.253 -6.315 1.00 0.55 N ATOM 967 CA LEU A 70 -4.852 5.399 -7.638 1.00 0.66 C ATOM 968 C LEU A 70 -4.767 3.974 -8.192 1.00 0.67 C ATOM 969 O LEU A 70 -5.162 3.717 -9.323 1.00 0.84 O ATOM 970 CB LEU A 70 -3.520 6.171 -7.535 1.00 0.74 C ATOM 971 CG LEU A 70 -2.578 6.180 -8.753 1.00 0.88 C ATOM 972 CD1 LEU A 70 -1.728 4.923 -8.945 1.00 2.15 C ATOM 973 CD2 LEU A 70 -3.333 6.524 -10.037 1.00 2.57 C ATOM 0 H LEU A 70 -4.780 5.382 -5.543 1.00 0.55 H new ATOM 0 HA LEU A 70 -5.438 5.999 -8.334 1.00 0.66 H new ATOM 0 HB2 LEU A 70 -3.756 7.207 -7.291 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -2.965 5.763 -6.690 1.00 0.74 H new ATOM 0 HG LEU A 70 -1.860 6.967 -8.525 1.00 0.88 H new ATOM 0 HD11 LEU A 70 -1.103 5.038 -9.831 1.00 2.15 H new ATOM 0 HD12 LEU A 70 -1.094 4.775 -8.071 1.00 2.15 H new ATOM 0 HD13 LEU A 70 -2.380 4.059 -9.071 1.00 2.15 H new ATOM 0 HD21 LEU A 70 -2.640 6.522 -10.878 1.00 2.57 H new ATOM 0 HD22 LEU A 70 -4.114 5.784 -10.209 1.00 2.57 H new ATOM 0 HD23 LEU A 70 -3.784 7.512 -9.941 1.00 2.57 H new ATOM 985 N TRP A 71 -4.349 3.015 -7.368 1.00 0.57 N ATOM 986 CA TRP A 71 -4.305 1.606 -7.745 1.00 0.63 C ATOM 987 C TRP A 71 -5.687 1.105 -8.183 1.00 0.64 C ATOM 988 O TRP A 71 -5.791 0.335 -9.129 1.00 0.81 O ATOM 989 CB TRP A 71 -3.719 0.772 -6.593 1.00 0.64 C ATOM 990 CG TRP A 71 -2.448 1.289 -5.987 1.00 0.63 C ATOM 991 CD1 TRP A 71 -1.634 2.164 -6.604 1.00 0.66 C ATOM 992 CD2 TRP A 71 -1.838 1.048 -4.674 1.00 0.57 C ATOM 993 NE1 TRP A 71 -0.671 2.585 -5.732 1.00 0.60 N ATOM 994 CE2 TRP A 71 -0.690 1.883 -4.556 1.00 0.54 C ATOM 995 CE3 TRP A 71 -2.118 0.218 -3.566 1.00 0.60 C ATOM 996 CZ2 TRP A 71 0.133 1.892 -3.421 1.00 0.52 C ATOM 997 CZ3 TRP A 71 -1.250 0.152 -2.460 1.00 0.58 C ATOM 998 CH2 TRP A 71 -0.138 1.004 -2.373 1.00 0.58 C ATOM 0 H TRP A 71 -4.030 3.196 -6.416 1.00 0.57 H new ATOM 0 HA TRP A 71 -3.648 1.490 -8.607 1.00 0.63 H new ATOM 0 HB2 TRP A 71 -4.470 0.698 -5.806 1.00 0.64 H new ATOM 0 HB3 TRP A 71 -3.539 -0.239 -6.958 1.00 0.64 H new ATOM 0 HD1 TRP A 71 -1.728 2.484 -7.631 1.00 0.66 H new ATOM 0 HE1 TRP A 71 -0.012 3.337 -5.934 1.00 0.60 H new ATOM 0 HE3 TRP A 71 -3.018 -0.379 -3.567 1.00 0.60 H new ATOM 0 HZ2 TRP A 71 0.966 2.576 -3.356 1.00 0.52 H new ATOM 0 HZ3 TRP A 71 -1.441 -0.561 -1.671 1.00 0.58 H new ATOM 0 HH2 TRP A 71 0.503 0.975 -1.505 1.00 0.58 H new ATOM 1009 N VAL A 72 -6.753 1.543 -7.518 1.00 0.53 N ATOM 1010 CA VAL A 72 -8.120 1.159 -7.860 1.00 0.55 C ATOM 1011 C VAL A 72 -8.682 2.015 -9.006 1.00 0.62 C ATOM 1012 O VAL A 72 -9.699 1.659 -9.603 1.00 0.68 O ATOM 1013 CB VAL A 72 -8.973 1.165 -6.581 1.00 0.55 C ATOM 1014 CG1 VAL A 72 -10.453 0.868 -6.840 1.00 0.57 C ATOM 1015 CG2 VAL A 72 -8.445 0.066 -5.654 1.00 0.54 C ATOM 0 H VAL A 72 -6.692 2.178 -6.722 1.00 0.53 H new ATOM 0 HA VAL A 72 -8.139 0.143 -8.255 1.00 0.55 H new ATOM 0 HB VAL A 72 -8.900 2.163 -6.149 1.00 0.55 H new ATOM 0 HG11 VAL A 72 -10.999 0.887 -5.897 1.00 0.57 H new ATOM 0 HG12 VAL A 72 -10.863 1.622 -7.512 1.00 0.57 H new ATOM 0 HG13 VAL A 72 -10.552 -0.117 -7.296 1.00 0.57 H new ATOM 0 HG21 VAL A 72 -9.034 0.049 -4.737 1.00 0.54 H new ATOM 0 HG22 VAL A 72 -8.523 -0.900 -6.153 1.00 0.54 H new ATOM 0 HG23 VAL A 72 -7.401 0.265 -5.411 1.00 0.54 H new ATOM 1025 N SER A 73 -7.996 3.095 -9.394 1.00 0.70 N ATOM 1026 CA SER A 73 -8.351 3.874 -10.575 1.00 0.76 C ATOM 1027 C SER A 73 -8.477 2.953 -11.793 1.00 0.72 C ATOM 1028 O SER A 73 -9.280 3.212 -12.691 1.00 0.89 O ATOM 1029 CB SER A 73 -7.323 4.995 -10.797 1.00 0.99 C ATOM 1030 OG SER A 73 -7.798 5.991 -11.681 1.00 2.00 O ATOM 0 H SER A 73 -7.180 3.450 -8.895 1.00 0.70 H new ATOM 0 HA SER A 73 -9.321 4.348 -10.423 1.00 0.76 H new ATOM 0 HB2 SER A 73 -7.074 5.451 -9.839 1.00 0.99 H new ATOM 0 HB3 SER A 73 -6.403 4.568 -11.195 1.00 0.99 H new ATOM 0 HG SER A 73 -7.114 6.684 -11.792 1.00 2.00 H new ATOM 1036 N GLU A 74 -7.741 1.841 -11.806 1.00 0.69 N ATOM 1037 CA GLU A 74 -7.785 0.837 -12.854 1.00 0.72 C ATOM 1038 C GLU A 74 -9.116 0.048 -12.877 1.00 0.72 C ATOM 1039 O GLU A 74 -9.188 -0.975 -13.555 1.00 0.86 O ATOM 1040 CB GLU A 74 -6.543 -0.072 -12.724 1.00 0.84 C ATOM 1041 CG GLU A 74 -5.287 0.751 -12.386 1.00 1.55 C ATOM 1042 CD GLU A 74 -3.997 -0.012 -12.582 1.00 2.43 C ATOM 1043 OE1 GLU A 74 -3.816 -1.116 -12.023 1.00 3.78 O ATOM 1044 OE2 GLU A 74 -3.173 0.542 -13.340 1.00 2.77 O ATOM 0 H GLU A 74 -7.080 1.613 -11.063 1.00 0.69 H new ATOM 0 HA GLU A 74 -7.753 1.335 -13.823 1.00 0.72 H new ATOM 0 HB2 GLU A 74 -6.713 -0.817 -11.947 1.00 0.84 H new ATOM 0 HB3 GLU A 74 -6.386 -0.614 -13.656 1.00 0.84 H new ATOM 0 HG2 GLU A 74 -5.269 1.645 -13.009 1.00 1.55 H new ATOM 0 HG3 GLU A 74 -5.349 1.085 -11.350 1.00 1.55 H new ATOM 1051 N ARG A 75 -10.175 0.511 -12.201 1.00 0.74 N ATOM 1052 CA ARG A 75 -11.486 -0.131 -12.182 1.00 0.85 C ATOM 1053 C ARG A 75 -11.983 -0.680 -13.531 1.00 1.06 C ATOM 1054 O ARG A 75 -12.182 -1.888 -13.632 1.00 1.22 O ATOM 1055 CB ARG A 75 -12.530 0.712 -11.435 1.00 0.95 C ATOM 1056 CG ARG A 75 -13.854 -0.060 -11.312 1.00 1.15 C ATOM 1057 CD ARG A 75 -14.764 0.499 -10.215 1.00 1.31 C ATOM 1058 NE ARG A 75 -14.205 0.287 -8.871 1.00 2.23 N ATOM 1059 CZ ARG A 75 -13.848 1.251 -8.006 1.00 3.07 C ATOM 1060 NH1 ARG A 75 -13.756 2.527 -8.392 1.00 3.20 N ATOM 1061 NH2 ARG A 75 -13.565 0.925 -6.752 1.00 4.74 N ATOM 0 H ARG A 75 -10.138 1.362 -11.641 1.00 0.74 H new ATOM 0 HA ARG A 75 -11.335 -1.041 -11.601 1.00 0.85 H new ATOM 0 HB2 ARG A 75 -12.158 0.968 -10.443 1.00 0.95 H new ATOM 0 HB3 ARG A 75 -12.696 1.650 -11.965 1.00 0.95 H new ATOM 0 HG2 ARG A 75 -14.379 -0.026 -12.266 1.00 1.15 H new ATOM 0 HG3 ARG A 75 -13.641 -1.108 -11.102 1.00 1.15 H new ATOM 0 HD2 ARG A 75 -14.916 1.566 -10.380 1.00 1.31 H new ATOM 0 HD3 ARG A 75 -15.743 0.024 -10.279 1.00 1.31 H new ATOM 0 HE ARG A 75 -14.077 -0.679 -8.569 1.00 2.23 H new ATOM 0 HH11 ARG A 75 -13.958 2.783 -9.358 1.00 3.20 H new ATOM 0 HH12 ARG A 75 -13.483 3.245 -7.720 1.00 3.20 H new ATOM 0 HH21 ARG A 75 -13.620 -0.049 -6.453 1.00 4.74 H new ATOM 0 HH22 ARG A 75 -13.293 1.648 -6.086 1.00 4.74 H new ATOM 1075 N PRO A 76 -12.186 0.135 -14.581 1.00 1.20 N ATOM 1076 CA PRO A 76 -12.753 -0.367 -15.829 1.00 1.48 C ATOM 1077 C PRO A 76 -11.834 -1.385 -16.502 1.00 1.43 C ATOM 1078 O PRO A 76 -12.242 -2.082 -17.431 1.00 1.88 O ATOM 1079 CB PRO A 76 -12.955 0.858 -16.724 1.00 1.72 C ATOM 1080 CG PRO A 76 -11.903 1.839 -16.214 1.00 1.47 C ATOM 1081 CD PRO A 76 -11.813 1.535 -14.716 1.00 1.22 C ATOM 0 HA PRO A 76 -13.691 -0.890 -15.643 1.00 1.48 H new ATOM 0 HB2 PRO A 76 -12.805 0.617 -17.776 1.00 1.72 H new ATOM 0 HB3 PRO A 76 -13.963 1.263 -16.631 1.00 1.72 H new ATOM 0 HG2 PRO A 76 -10.944 1.690 -16.710 1.00 1.47 H new ATOM 0 HG3 PRO A 76 -12.199 2.872 -16.395 1.00 1.47 H new ATOM 0 HD2 PRO A 76 -10.805 1.711 -14.340 1.00 1.22 H new ATOM 0 HD3 PRO A 76 -12.483 2.177 -14.144 1.00 1.22 H new ATOM 1089 N SER A 77 -10.566 -1.416 -16.105 1.00 1.11 N ATOM 1090 CA SER A 77 -9.540 -2.288 -16.625 1.00 1.20 C ATOM 1091 C SER A 77 -9.420 -3.607 -15.855 1.00 1.24 C ATOM 1092 O SER A 77 -8.598 -4.442 -16.233 1.00 1.71 O ATOM 1093 CB SER A 77 -8.236 -1.487 -16.700 1.00 1.37 C ATOM 1094 OG SER A 77 -8.308 -0.266 -15.978 1.00 1.57 O ATOM 0 H SER A 77 -10.217 -0.798 -15.373 1.00 1.11 H new ATOM 0 HA SER A 77 -9.810 -2.616 -17.629 1.00 1.20 H new ATOM 0 HB2 SER A 77 -7.419 -2.091 -16.306 1.00 1.37 H new ATOM 0 HB3 SER A 77 -8.002 -1.276 -17.743 1.00 1.37 H new ATOM 0 HG SER A 77 -8.280 -0.452 -15.016 1.00 1.57 H new ATOM 1100 N TYR A 78 -10.220 -3.827 -14.814 1.00 1.13 N ATOM 1101 CA TYR A 78 -10.518 -5.143 -14.297 1.00 1.17 C ATOM 1102 C TYR A 78 -11.963 -5.478 -14.655 1.00 1.12 C ATOM 1103 O TYR A 78 -12.819 -4.595 -14.654 1.00 1.26 O ATOM 1104 CB TYR A 78 -10.251 -5.184 -12.796 1.00 1.42 C ATOM 1105 CG TYR A 78 -11.209 -4.484 -11.842 1.00 0.82 C ATOM 1106 CD1 TYR A 78 -12.439 -5.086 -11.505 1.00 2.22 C ATOM 1107 CD2 TYR A 78 -10.739 -3.418 -11.055 1.00 1.91 C ATOM 1108 CE1 TYR A 78 -13.253 -4.539 -10.496 1.00 2.18 C ATOM 1109 CE2 TYR A 78 -11.507 -2.940 -9.979 1.00 2.37 C ATOM 1110 CZ TYR A 78 -12.792 -3.445 -9.744 1.00 1.60 C ATOM 1111 OH TYR A 78 -13.604 -2.774 -8.878 1.00 2.39 O ATOM 0 H TYR A 78 -10.683 -3.076 -14.303 1.00 1.13 H new ATOM 0 HA TYR A 78 -9.873 -5.900 -14.743 1.00 1.17 H new ATOM 0 HB2 TYR A 78 -10.206 -6.232 -12.501 1.00 1.42 H new ATOM 0 HB3 TYR A 78 -9.259 -4.763 -12.630 1.00 1.42 H new ATOM 0 HD1 TYR A 78 -12.759 -5.976 -12.027 1.00 2.22 H new ATOM 0 HD2 TYR A 78 -9.784 -2.965 -11.278 1.00 1.91 H new ATOM 0 HE1 TYR A 78 -14.229 -4.958 -10.300 1.00 2.18 H new ATOM 0 HE2 TYR A 78 -11.103 -2.178 -9.329 1.00 2.37 H new ATOM 0 HH TYR A 78 -13.058 -2.327 -8.198 1.00 2.39 H new ATOM 1121 N ASN A 79 -12.241 -6.732 -15.005 1.00 1.08 N ATOM 1122 CA ASN A 79 -13.607 -7.176 -15.240 1.00 1.11 C ATOM 1123 C ASN A 79 -13.684 -8.677 -15.036 1.00 1.26 C ATOM 1124 O ASN A 79 -12.957 -9.417 -15.699 1.00 2.10 O ATOM 1125 CB ASN A 79 -14.077 -6.840 -16.654 1.00 1.16 C ATOM 1126 CG ASN A 79 -15.589 -7.009 -16.711 1.00 1.41 C ATOM 1127 OD1 ASN A 79 -16.089 -8.125 -16.632 1.00 1.71 O ATOM 1128 ND2 ASN A 79 -16.327 -5.910 -16.801 1.00 2.36 N ATOM 0 H ASN A 79 -11.535 -7.457 -15.131 1.00 1.08 H new ATOM 0 HA ASN A 79 -14.256 -6.656 -14.535 1.00 1.11 H new ATOM 0 HB2 ASN A 79 -13.800 -5.818 -16.913 1.00 1.16 H new ATOM 0 HB3 ASN A 79 -13.595 -7.495 -17.380 1.00 1.16 H new ATOM 0 HD21 ASN A 79 -17.345 -5.978 -16.806 1.00 2.36 H new ATOM 0 HD22 ASN A 79 -15.877 -4.997 -16.865 1.00 2.36 H new ATOM 1135 N TYR A 80 -14.545 -9.125 -14.131 1.00 1.09 N ATOM 1136 CA TYR A 80 -14.636 -10.524 -13.759 1.00 1.13 C ATOM 1137 C TYR A 80 -14.985 -11.428 -14.945 1.00 1.47 C ATOM 1138 O TYR A 80 -14.642 -12.605 -14.917 1.00 2.73 O ATOM 1139 CB TYR A 80 -15.550 -10.658 -12.534 1.00 1.26 C ATOM 1140 CG TYR A 80 -15.468 -11.960 -11.748 1.00 1.38 C ATOM 1141 CD1 TYR A 80 -15.954 -13.162 -12.295 1.00 2.55 C ATOM 1142 CD2 TYR A 80 -14.973 -11.958 -10.428 1.00 2.00 C ATOM 1143 CE1 TYR A 80 -15.793 -14.372 -11.598 1.00 2.79 C ATOM 1144 CE2 TYR A 80 -14.845 -13.165 -9.716 1.00 2.11 C ATOM 1145 CZ TYR A 80 -15.256 -14.373 -10.302 1.00 1.92 C ATOM 1146 OH TYR A 80 -15.121 -15.551 -9.631 1.00 2.31 O ATOM 0 H TYR A 80 -15.201 -8.522 -13.634 1.00 1.09 H new ATOM 0 HA TYR A 80 -13.655 -10.894 -13.459 1.00 1.13 H new ATOM 0 HB2 TYR A 80 -15.326 -9.837 -11.853 1.00 1.26 H new ATOM 0 HB3 TYR A 80 -16.580 -10.526 -12.864 1.00 1.26 H new ATOM 0 HD1 TYR A 80 -16.452 -13.155 -13.253 1.00 2.55 H new ATOM 0 HD2 TYR A 80 -14.691 -11.026 -9.961 1.00 2.00 H new ATOM 0 HE1 TYR A 80 -16.083 -15.303 -12.061 1.00 2.79 H new ATOM 0 HE2 TYR A 80 -14.431 -13.162 -8.719 1.00 2.11 H new ATOM 0 HH TYR A 80 -14.733 -15.381 -8.747 1.00 2.31 H new ATOM 1156 N ALA A 81 -15.579 -10.895 -16.016 1.00 1.76 N ATOM 1157 CA ALA A 81 -15.858 -11.649 -17.236 1.00 2.15 C ATOM 1158 C ALA A 81 -14.657 -12.470 -17.721 1.00 2.34 C ATOM 1159 O ALA A 81 -14.831 -13.590 -18.191 1.00 2.84 O ATOM 1160 CB ALA A 81 -16.327 -10.697 -18.339 1.00 2.36 C ATOM 0 H ALA A 81 -15.881 -9.922 -16.059 1.00 1.76 H new ATOM 0 HA ALA A 81 -16.648 -12.362 -16.997 1.00 2.15 H new ATOM 0 HB1 ALA A 81 -16.533 -11.265 -19.246 1.00 2.36 H new ATOM 0 HB2 ALA A 81 -17.234 -10.185 -18.017 1.00 2.36 H new ATOM 0 HB3 ALA A 81 -15.548 -9.962 -18.541 1.00 2.36 H new ATOM 1166 N THR A 82 -13.438 -11.930 -17.642 1.00 2.18 N ATOM 1167 CA THR A 82 -12.248 -12.642 -18.099 1.00 2.45 C ATOM 1168 C THR A 82 -11.565 -13.398 -16.948 1.00 1.94 C ATOM 1169 O THR A 82 -10.566 -14.091 -17.157 1.00 2.18 O ATOM 1170 CB THR A 82 -11.297 -11.617 -18.729 1.00 3.14 C ATOM 1171 OG1 THR A 82 -10.988 -10.615 -17.779 1.00 3.26 O ATOM 1172 CG2 THR A 82 -11.928 -10.949 -19.955 1.00 3.78 C ATOM 0 H THR A 82 -13.252 -11.001 -17.265 1.00 2.18 H new ATOM 0 HA THR A 82 -12.530 -13.394 -18.836 1.00 2.45 H new ATOM 0 HB THR A 82 -10.396 -12.144 -19.041 1.00 3.14 H new ATOM 0 HG1 THR A 82 -10.379 -9.960 -18.180 1.00 3.26 H new ATOM 0 HG21 THR A 82 -11.228 -10.228 -20.377 1.00 3.78 H new ATOM 0 HG22 THR A 82 -12.163 -11.707 -20.702 1.00 3.78 H new ATOM 0 HG23 THR A 82 -12.843 -10.436 -19.659 1.00 3.78 H new ATOM 1180 N ASN A 83 -12.054 -13.205 -15.722 1.00 1.58 N ATOM 1181 CA ASN A 83 -11.359 -13.455 -14.471 1.00 1.48 C ATOM 1182 C ASN A 83 -9.881 -13.072 -14.576 1.00 1.60 C ATOM 1183 O ASN A 83 -9.001 -13.855 -14.234 1.00 1.91 O ATOM 1184 CB ASN A 83 -11.584 -14.891 -13.968 1.00 1.65 C ATOM 1185 CG ASN A 83 -10.889 -15.152 -12.629 1.00 1.71 C ATOM 1186 OD1 ASN A 83 -10.339 -16.228 -12.395 1.00 2.63 O ATOM 1187 ND2 ASN A 83 -10.898 -14.179 -11.726 1.00 1.39 N ATOM 0 H ASN A 83 -12.999 -12.850 -15.574 1.00 1.58 H new ATOM 0 HA ASN A 83 -11.791 -12.808 -13.708 1.00 1.48 H new ATOM 0 HB2 ASN A 83 -12.653 -15.073 -13.862 1.00 1.65 H new ATOM 0 HB3 ASN A 83 -11.213 -15.597 -14.711 1.00 1.65 H new ATOM 0 HD21 ASN A 83 -10.445 -14.317 -10.823 1.00 1.39 H new ATOM 0 HD22 ASN A 83 -11.358 -13.293 -11.935 1.00 1.39 H new ATOM 1194 N GLN A 84 -9.581 -11.883 -15.100 1.00 1.58 N ATOM 1195 CA GLN A 84 -8.232 -11.342 -15.033 1.00 2.00 C ATOM 1196 C GLN A 84 -8.281 -9.824 -15.154 1.00 1.86 C ATOM 1197 O GLN A 84 -9.352 -9.216 -15.182 1.00 1.81 O ATOM 1198 CB GLN A 84 -7.327 -11.985 -16.096 1.00 2.59 C ATOM 1199 CG GLN A 84 -7.905 -11.880 -17.508 1.00 2.49 C ATOM 1200 CD GLN A 84 -6.827 -12.150 -18.543 1.00 3.27 C ATOM 1201 OE1 GLN A 84 -6.712 -13.262 -19.058 1.00 3.83 O ATOM 1202 NE2 GLN A 84 -6.024 -11.144 -18.858 1.00 4.33 N ATOM 0 H GLN A 84 -10.255 -11.281 -15.573 1.00 1.58 H new ATOM 0 HA GLN A 84 -7.793 -11.586 -14.066 1.00 2.00 H new ATOM 0 HB2 GLN A 84 -6.349 -11.505 -16.072 1.00 2.59 H new ATOM 0 HB3 GLN A 84 -7.173 -13.035 -15.848 1.00 2.59 H new ATOM 0 HG2 GLN A 84 -8.720 -12.594 -17.628 1.00 2.49 H new ATOM 0 HG3 GLN A 84 -8.326 -10.886 -17.663 1.00 2.49 H new ATOM 0 HE21 GLN A 84 -6.147 -10.235 -18.412 1.00 4.33 H new ATOM 0 HE22 GLN A 84 -5.283 -11.279 -19.546 1.00 4.33 H new ATOM 1211 N CYS A 85 -7.113 -9.205 -15.277 1.00 2.15 N ATOM 1212 CA CYS A 85 -7.025 -7.841 -15.771 1.00 2.05 C ATOM 1213 C CYS A 85 -7.510 -7.815 -17.220 1.00 2.07 C ATOM 1214 O CYS A 85 -7.140 -8.696 -17.995 1.00 2.58 O ATOM 1215 CB CYS A 85 -5.583 -7.356 -15.652 1.00 2.19 C ATOM 1216 SG CYS A 85 -5.457 -5.746 -14.881 1.00 2.24 S ATOM 0 H CYS A 85 -6.215 -9.628 -15.041 1.00 2.15 H new ATOM 0 HA CYS A 85 -7.653 -7.172 -15.183 1.00 2.05 H new ATOM 0 HB2 CYS A 85 -5.008 -8.078 -15.072 1.00 2.19 H new ATOM 0 HB3 CYS A 85 -5.135 -7.315 -16.645 1.00 2.19 H new ATOM 1221 N VAL A 86 -8.347 -6.852 -17.601 1.00 1.92 N ATOM 1222 CA VAL A 86 -9.008 -6.841 -18.903 1.00 1.96 C ATOM 1223 C VAL A 86 -7.925 -6.718 -19.972 1.00 2.03 C ATOM 1224 O VAL A 86 -6.949 -5.992 -19.771 1.00 2.08 O ATOM 1225 CB VAL A 86 -9.964 -5.633 -18.992 1.00 1.78 C ATOM 1226 CG1 VAL A 86 -10.292 -5.161 -20.414 1.00 1.88 C ATOM 1227 CG2 VAL A 86 -11.245 -5.866 -18.200 1.00 1.84 C ATOM 0 H VAL A 86 -8.586 -6.054 -17.012 1.00 1.92 H new ATOM 0 HA VAL A 86 -9.587 -7.754 -19.046 1.00 1.96 H new ATOM 0 HB VAL A 86 -9.400 -4.818 -18.538 1.00 1.78 H new ATOM 0 HG11 VAL A 86 -10.970 -4.309 -20.367 1.00 1.88 H new ATOM 0 HG12 VAL A 86 -9.373 -4.866 -20.921 1.00 1.88 H new ATOM 0 HG13 VAL A 86 -10.766 -5.972 -20.966 1.00 1.88 H new ATOM 0 HG21 VAL A 86 -11.891 -4.993 -18.288 1.00 1.84 H new ATOM 0 HG22 VAL A 86 -11.762 -6.741 -18.594 1.00 1.84 H new ATOM 0 HG23 VAL A 86 -10.999 -6.031 -17.151 1.00 1.84 H new ATOM 1295 N CYS A 91 -2.588 -2.251 -16.391 1.00 1.51 N ATOM 1296 CA CYS A 91 -3.455 -2.355 -15.234 1.00 1.30 C ATOM 1297 C CYS A 91 -2.701 -3.262 -14.271 1.00 1.17 C ATOM 1298 O CYS A 91 -2.963 -4.452 -14.125 1.00 2.37 O ATOM 1299 CB CYS A 91 -4.845 -2.842 -15.657 1.00 1.58 C ATOM 1300 SG CYS A 91 -4.990 -4.462 -16.446 1.00 2.23 S ATOM 0 HA CYS A 91 -3.665 -1.408 -14.737 1.00 1.30 H new ATOM 0 HB2 CYS A 91 -5.478 -2.848 -14.770 1.00 1.58 H new ATOM 0 HB3 CYS A 91 -5.261 -2.102 -16.341 1.00 1.58 H new ATOM 1305 N ARG A 92 -1.621 -2.729 -13.713 1.00 1.15 N ATOM 1306 CA ARG A 92 -0.677 -3.485 -12.914 1.00 0.95 C ATOM 1307 C ARG A 92 -0.454 -2.795 -11.574 1.00 1.10 C ATOM 1308 O ARG A 92 0.671 -2.759 -11.076 1.00 1.75 O ATOM 1309 CB ARG A 92 0.610 -3.717 -13.728 1.00 0.96 C ATOM 1310 CG ARG A 92 1.538 -4.807 -13.165 1.00 1.38 C ATOM 1311 CD ARG A 92 0.899 -6.199 -13.130 1.00 0.99 C ATOM 1312 NE ARG A 92 0.685 -6.746 -14.480 1.00 2.30 N ATOM 1313 CZ ARG A 92 -0.454 -7.273 -14.960 1.00 3.86 C ATOM 1314 NH1 ARG A 92 -1.645 -6.870 -14.513 1.00 4.69 N ATOM 1315 NH2 ARG A 92 -0.396 -8.212 -15.902 1.00 5.00 N ATOM 0 H ARG A 92 -1.377 -1.743 -13.807 1.00 1.15 H new ATOM 0 HA ARG A 92 -1.073 -4.472 -12.674 1.00 0.95 H new ATOM 0 HB2 ARG A 92 0.335 -3.984 -14.748 1.00 0.96 H new ATOM 0 HB3 ARG A 92 1.164 -2.780 -13.782 1.00 0.96 H new ATOM 0 HG2 ARG A 92 2.445 -4.848 -13.769 1.00 1.38 H new ATOM 0 HG3 ARG A 92 1.840 -4.529 -12.155 1.00 1.38 H new ATOM 0 HD2 ARG A 92 1.537 -6.876 -12.562 1.00 0.99 H new ATOM 0 HD3 ARG A 92 -0.055 -6.146 -12.606 1.00 0.99 H new ATOM 0 HE ARG A 92 1.482 -6.723 -15.116 1.00 2.30 H new ATOM 0 HH11 ARG A 92 -1.703 -6.149 -13.794 1.00 4.69 H new ATOM 0 HH12 ARG A 92 -2.498 -7.283 -14.891 1.00 4.69 H new ATOM 0 HH21 ARG A 92 0.508 -8.526 -16.254 1.00 5.00 H new ATOM 0 HH22 ARG A 92 -1.256 -8.617 -16.272 1.00 5.00 H new ATOM 1329 N HIS A 93 -1.527 -2.289 -10.964 1.00 0.83 N ATOM 1330 CA HIS A 93 -1.558 -2.007 -9.541 1.00 0.69 C ATOM 1331 C HIS A 93 -2.851 -2.523 -8.909 1.00 0.61 C ATOM 1332 O HIS A 93 -2.772 -3.124 -7.839 1.00 0.62 O ATOM 1333 CB HIS A 93 -1.278 -0.527 -9.246 1.00 0.90 C ATOM 1334 CG HIS A 93 0.187 -0.130 -9.234 1.00 1.11 C ATOM 1335 ND1 HIS A 93 1.250 -0.945 -8.933 1.00 1.84 N flip ATOM 1336 CD2 HIS A 93 0.659 1.172 -9.247 1.00 1.09 C flip ATOM 1337 CE1 HIS A 93 2.352 -0.134 -8.772 1.00 2.15 C flip ATOM 1338 NE2 HIS A 93 1.967 1.137 -8.946 1.00 1.72 N flip ATOM 0 H HIS A 93 -2.396 -2.065 -11.449 1.00 0.83 H new ATOM 0 HA HIS A 93 -0.744 -2.555 -9.066 1.00 0.69 H new ATOM 0 HB2 HIS A 93 -1.795 0.078 -9.991 1.00 0.90 H new ATOM 0 HB3 HIS A 93 -1.712 -0.279 -8.277 1.00 0.90 H new ATOM 0 HD2 HIS A 93 0.079 2.057 -9.461 1.00 1.09 H new ATOM 0 HE1 HIS A 93 3.354 -0.466 -8.545 1.00 2.15 H new ATOM 0 HE2 HIS A 93 2.574 1.953 -8.863 1.00 1.72 H new ATOM 1347 N TYR A 94 -4.018 -2.368 -9.541 1.00 0.56 N ATOM 1348 CA TYR A 94 -5.250 -2.966 -9.015 1.00 0.47 C ATOM 1349 C TYR A 94 -5.043 -4.448 -8.707 1.00 0.50 C ATOM 1350 O TYR A 94 -5.459 -4.929 -7.656 1.00 0.46 O ATOM 1351 CB TYR A 94 -6.424 -2.809 -9.986 1.00 0.45 C ATOM 1352 CG TYR A 94 -7.513 -3.855 -9.807 1.00 0.82 C ATOM 1353 CD1 TYR A 94 -8.408 -3.764 -8.724 1.00 1.44 C ATOM 1354 CD2 TYR A 94 -7.494 -5.022 -10.595 1.00 2.88 C ATOM 1355 CE1 TYR A 94 -9.353 -4.782 -8.509 1.00 1.41 C ATOM 1356 CE2 TYR A 94 -8.404 -6.061 -10.342 1.00 3.50 C ATOM 1357 CZ TYR A 94 -9.384 -5.904 -9.350 1.00 2.11 C ATOM 1358 OH TYR A 94 -10.392 -6.811 -9.235 1.00 2.73 O ATOM 0 H TYR A 94 -4.136 -1.841 -10.406 1.00 0.56 H new ATOM 0 HA TYR A 94 -5.492 -2.432 -8.096 1.00 0.47 H new ATOM 0 HB2 TYR A 94 -6.860 -1.818 -9.857 1.00 0.45 H new ATOM 0 HB3 TYR A 94 -6.048 -2.861 -11.008 1.00 0.45 H new ATOM 0 HD1 TYR A 94 -8.369 -2.913 -8.060 1.00 1.44 H new ATOM 0 HD2 TYR A 94 -6.777 -5.118 -11.397 1.00 2.88 H new ATOM 0 HE1 TYR A 94 -10.057 -4.700 -7.694 1.00 1.41 H new ATOM 0 HE2 TYR A 94 -8.350 -6.978 -10.909 1.00 3.50 H new ATOM 0 HH TYR A 94 -10.083 -7.685 -9.553 1.00 2.73 H new ATOM 1368 N THR A 95 -4.418 -5.179 -9.631 1.00 0.59 N ATOM 1369 CA THR A 95 -4.219 -6.607 -9.461 1.00 0.57 C ATOM 1370 C THR A 95 -3.541 -6.889 -8.123 1.00 0.59 C ATOM 1371 O THR A 95 -3.861 -7.878 -7.474 1.00 0.69 O ATOM 1372 CB THR A 95 -3.411 -7.168 -10.637 1.00 0.61 C ATOM 1373 OG1 THR A 95 -2.233 -6.408 -10.833 1.00 0.81 O ATOM 1374 CG2 THR A 95 -4.232 -7.107 -11.925 1.00 0.81 C ATOM 0 H THR A 95 -4.044 -4.801 -10.501 1.00 0.59 H new ATOM 0 HA THR A 95 -5.186 -7.109 -9.452 1.00 0.57 H new ATOM 0 HB THR A 95 -3.157 -8.202 -10.402 1.00 0.61 H new ATOM 0 HG1 THR A 95 -1.533 -6.981 -11.210 1.00 0.81 H new ATOM 0 HG21 THR A 95 -3.644 -7.509 -12.750 1.00 0.81 H new ATOM 0 HG22 THR A 95 -5.141 -7.697 -11.806 1.00 0.81 H new ATOM 0 HG23 THR A 95 -4.497 -6.072 -12.139 1.00 0.81 H new ATOM 1382 N GLN A 96 -2.622 -6.011 -7.709 1.00 0.60 N ATOM 1383 CA GLN A 96 -1.952 -6.136 -6.443 1.00 0.66 C ATOM 1384 C GLN A 96 -2.928 -5.881 -5.300 1.00 0.54 C ATOM 1385 O GLN A 96 -2.972 -6.652 -4.351 1.00 0.58 O ATOM 1386 CB GLN A 96 -0.753 -5.160 -6.391 1.00 0.83 C ATOM 1387 CG GLN A 96 0.652 -5.775 -6.320 1.00 1.48 C ATOM 1388 CD GLN A 96 0.609 -7.197 -5.806 1.00 1.38 C ATOM 1389 OE1 GLN A 96 0.518 -8.108 -6.623 1.00 2.53 O ATOM 1390 NE2 GLN A 96 0.573 -7.407 -4.498 1.00 1.24 N ATOM 0 H GLN A 96 -2.333 -5.199 -8.254 1.00 0.60 H new ATOM 0 HA GLN A 96 -1.572 -7.152 -6.332 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -0.798 -4.523 -7.274 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -0.882 -4.513 -5.524 1.00 0.83 H new ATOM 0 HG2 GLN A 96 1.108 -5.758 -7.310 1.00 1.48 H new ATOM 0 HG3 GLN A 96 1.283 -5.170 -5.668 1.00 1.48 H new ATOM 0 HE21 GLN A 96 0.652 -6.621 -3.853 1.00 1.24 H new ATOM 0 HE22 GLN A 96 0.466 -8.355 -4.136 1.00 1.24 H new ATOM 1399 N VAL A 97 -3.704 -4.801 -5.391 1.00 0.47 N ATOM 1400 CA VAL A 97 -4.671 -4.442 -4.363 1.00 0.40 C ATOM 1401 C VAL A 97 -5.573 -5.630 -4.064 1.00 0.43 C ATOM 1402 O VAL A 97 -5.872 -5.924 -2.910 1.00 0.53 O ATOM 1403 CB VAL A 97 -5.506 -3.236 -4.817 1.00 0.36 C ATOM 1404 CG1 VAL A 97 -6.465 -2.759 -3.729 1.00 0.39 C ATOM 1405 CG2 VAL A 97 -4.568 -2.087 -5.153 1.00 0.51 C ATOM 0 H VAL A 97 -3.677 -4.154 -6.179 1.00 0.47 H new ATOM 0 HA VAL A 97 -4.137 -4.168 -3.453 1.00 0.40 H new ATOM 0 HB VAL A 97 -6.091 -3.547 -5.683 1.00 0.36 H new ATOM 0 HG11 VAL A 97 -7.034 -1.905 -4.095 1.00 0.39 H new ATOM 0 HG12 VAL A 97 -7.149 -3.566 -3.468 1.00 0.39 H new ATOM 0 HG13 VAL A 97 -5.897 -2.465 -2.846 1.00 0.39 H new ATOM 0 HG21 VAL A 97 -5.151 -1.225 -5.477 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -3.987 -1.821 -4.270 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -3.893 -2.390 -5.953 1.00 0.51 H new ATOM 1415 N VAL A 98 -6.031 -6.272 -5.128 1.00 0.41 N ATOM 1416 CA VAL A 98 -6.989 -7.348 -5.057 1.00 0.46 C ATOM 1417 C VAL A 98 -6.383 -8.715 -4.766 1.00 0.55 C ATOM 1418 O VAL A 98 -7.116 -9.580 -4.299 1.00 0.70 O ATOM 1419 CB VAL A 98 -7.885 -7.272 -6.302 1.00 0.45 C ATOM 1420 CG1 VAL A 98 -7.694 -8.455 -7.243 1.00 0.57 C ATOM 1421 CG2 VAL A 98 -9.347 -7.211 -5.856 1.00 0.46 C ATOM 0 H VAL A 98 -5.737 -6.050 -6.079 1.00 0.41 H new ATOM 0 HA VAL A 98 -7.618 -7.214 -4.177 1.00 0.46 H new ATOM 0 HB VAL A 98 -7.603 -6.376 -6.855 1.00 0.45 H new ATOM 0 HG11 VAL A 98 -8.354 -8.345 -8.104 1.00 0.57 H new ATOM 0 HG12 VAL A 98 -6.658 -8.487 -7.581 1.00 0.57 H new ATOM 0 HG13 VAL A 98 -7.933 -9.380 -6.718 1.00 0.57 H new ATOM 0 HG21 VAL A 98 -9.993 -7.157 -6.732 1.00 0.46 H new ATOM 0 HG22 VAL A 98 -9.590 -8.105 -5.281 1.00 0.46 H new ATOM 0 HG23 VAL A 98 -9.502 -6.328 -5.236 1.00 0.46 H new ATOM 1431 N TRP A 99 -5.095 -8.910 -5.067 1.00 0.58 N ATOM 1432 CA TRP A 99 -4.389 -10.187 -5.062 1.00 0.65 C ATOM 1433 C TRP A 99 -4.899 -11.132 -3.964 1.00 0.64 C ATOM 1434 O TRP A 99 -4.490 -11.038 -2.806 1.00 0.64 O ATOM 1435 CB TRP A 99 -2.884 -9.913 -4.943 1.00 0.69 C ATOM 1436 CG TRP A 99 -1.982 -11.059 -5.272 1.00 0.88 C ATOM 1437 CD1 TRP A 99 -1.222 -11.773 -4.412 1.00 1.19 C ATOM 1438 CD2 TRP A 99 -1.727 -11.621 -6.587 1.00 0.85 C ATOM 1439 NE1 TRP A 99 -0.518 -12.729 -5.109 1.00 1.29 N ATOM 1440 CE2 TRP A 99 -0.811 -12.702 -6.451 1.00 1.07 C ATOM 1441 CE3 TRP A 99 -2.154 -11.299 -7.890 1.00 0.76 C ATOM 1442 CZ2 TRP A 99 -0.373 -13.447 -7.550 1.00 1.11 C ATOM 1443 CZ3 TRP A 99 -1.827 -12.126 -8.979 1.00 0.92 C ATOM 1444 CH2 TRP A 99 -0.964 -13.221 -8.802 1.00 1.04 C ATOM 0 H TRP A 99 -4.487 -8.136 -5.335 1.00 0.58 H new ATOM 0 HA TRP A 99 -4.585 -10.708 -5.999 1.00 0.65 H new ATOM 0 HB2 TRP A 99 -2.634 -9.079 -5.599 1.00 0.69 H new ATOM 0 HB3 TRP A 99 -2.673 -9.591 -3.923 1.00 0.69 H new ATOM 0 HD1 TRP A 99 -1.174 -11.618 -3.344 1.00 1.19 H new ATOM 0 HE1 TRP A 99 0.141 -13.379 -4.681 1.00 1.29 H new ATOM 0 HE3 TRP A 99 -2.739 -10.406 -8.055 1.00 0.76 H new ATOM 0 HZ2 TRP A 99 0.408 -14.185 -7.437 1.00 1.11 H new ATOM 0 HZ3 TRP A 99 -2.240 -11.919 -9.955 1.00 0.92 H new ATOM 0 HH2 TRP A 99 -0.757 -13.886 -9.627 1.00 1.04 H new ATOM 1455 N ARG A 100 -5.805 -12.039 -4.333 1.00 0.68 N ATOM 1456 CA ARG A 100 -6.581 -12.839 -3.397 1.00 0.64 C ATOM 1457 C ARG A 100 -5.648 -13.626 -2.483 1.00 0.54 C ATOM 1458 O ARG A 100 -5.945 -13.832 -1.309 1.00 0.56 O ATOM 1459 CB ARG A 100 -7.544 -13.781 -4.141 1.00 0.65 C ATOM 1460 CG ARG A 100 -8.656 -14.286 -3.210 1.00 1.07 C ATOM 1461 CD ARG A 100 -9.237 -15.645 -3.597 1.00 1.31 C ATOM 1462 NE ARG A 100 -9.842 -15.669 -4.942 1.00 2.70 N ATOM 1463 CZ ARG A 100 -10.510 -16.734 -5.411 1.00 3.75 C ATOM 1464 NH1 ARG A 100 -10.881 -17.710 -4.583 1.00 4.00 N ATOM 1465 NH2 ARG A 100 -10.768 -16.835 -6.707 1.00 5.28 N ATOM 0 H ARG A 100 -6.020 -12.238 -5.310 1.00 0.68 H new ATOM 0 HA ARG A 100 -7.184 -12.168 -2.785 1.00 0.64 H new ATOM 0 HB2 ARG A 100 -7.986 -13.258 -4.989 1.00 0.65 H new ATOM 0 HB3 ARG A 100 -6.989 -14.629 -4.543 1.00 0.65 H new ATOM 0 HG2 ARG A 100 -8.263 -14.349 -2.195 1.00 1.07 H new ATOM 0 HG3 ARG A 100 -9.461 -13.552 -3.195 1.00 1.07 H new ATOM 0 HD2 ARG A 100 -8.447 -16.395 -3.550 1.00 1.31 H new ATOM 0 HD3 ARG A 100 -9.991 -15.930 -2.864 1.00 1.31 H new ATOM 0 HE ARG A 100 -9.749 -14.846 -5.537 1.00 2.70 H new ATOM 0 HH11 ARG A 100 -10.657 -17.649 -3.590 1.00 4.00 H new ATOM 0 HH12 ARG A 100 -11.389 -18.518 -4.943 1.00 4.00 H new ATOM 0 HH21 ARG A 100 -10.459 -16.103 -7.347 1.00 5.28 H new ATOM 0 HH22 ARG A 100 -11.276 -17.644 -7.064 1.00 5.28 H new ATOM 1479 N ASN A 101 -4.518 -14.089 -3.012 1.00 0.56 N ATOM 1480 CA ASN A 101 -3.630 -14.891 -2.192 1.00 0.54 C ATOM 1481 C ASN A 101 -3.068 -14.085 -1.019 1.00 0.63 C ATOM 1482 O ASN A 101 -2.823 -14.656 0.038 1.00 1.36 O ATOM 1483 CB ASN A 101 -2.520 -15.538 -3.023 1.00 0.78 C ATOM 1484 CG ASN A 101 -1.894 -16.723 -2.284 1.00 1.54 C ATOM 1485 OD1 ASN A 101 -2.350 -17.135 -1.220 1.00 2.71 O ATOM 1486 ND2 ASN A 101 -0.854 -17.313 -2.846 1.00 2.37 N ATOM 0 H ASN A 101 -4.208 -13.928 -3.970 1.00 0.56 H new ATOM 0 HA ASN A 101 -4.223 -15.702 -1.770 1.00 0.54 H new ATOM 0 HB2 ASN A 101 -2.926 -15.874 -3.977 1.00 0.78 H new ATOM 0 HB3 ASN A 101 -1.751 -14.798 -3.246 1.00 0.78 H new ATOM 0 HD21 ASN A 101 -0.421 -18.120 -2.396 1.00 2.37 H new ATOM 0 HD22 ASN A 101 -0.484 -16.962 -3.729 1.00 2.37 H new ATOM 1493 N SER A 102 -2.899 -12.763 -1.143 1.00 0.58 N ATOM 1494 CA SER A 102 -2.235 -12.022 -0.081 1.00 0.58 C ATOM 1495 C SER A 102 -3.232 -11.668 1.015 1.00 0.62 C ATOM 1496 O SER A 102 -4.257 -11.038 0.763 1.00 0.89 O ATOM 1497 CB SER A 102 -1.522 -10.767 -0.589 1.00 0.79 C ATOM 1498 OG SER A 102 -2.161 -10.158 -1.690 1.00 1.67 O ATOM 0 H SER A 102 -3.203 -12.206 -1.941 1.00 0.58 H new ATOM 0 HA SER A 102 -1.463 -12.673 0.329 1.00 0.58 H new ATOM 0 HB2 SER A 102 -1.453 -10.045 0.225 1.00 0.79 H new ATOM 0 HB3 SER A 102 -0.502 -11.028 -0.871 1.00 0.79 H new ATOM 0 HG SER A 102 -3.133 -10.237 -1.589 1.00 1.67 H new ATOM 1504 N VAL A 103 -2.905 -12.083 2.239 1.00 0.56 N ATOM 1505 CA VAL A 103 -3.729 -11.889 3.421 1.00 0.56 C ATOM 1506 C VAL A 103 -2.998 -11.104 4.508 1.00 0.61 C ATOM 1507 O VAL A 103 -3.611 -10.668 5.486 1.00 0.73 O ATOM 1508 CB VAL A 103 -4.241 -13.242 3.922 1.00 0.61 C ATOM 1509 CG1 VAL A 103 -5.229 -13.822 2.902 1.00 0.73 C ATOM 1510 CG2 VAL A 103 -3.110 -14.240 4.196 1.00 0.66 C ATOM 0 H VAL A 103 -2.034 -12.577 2.436 1.00 0.56 H new ATOM 0 HA VAL A 103 -4.590 -11.280 3.147 1.00 0.56 H new ATOM 0 HB VAL A 103 -4.742 -13.072 4.875 1.00 0.61 H new ATOM 0 HG11 VAL A 103 -5.595 -14.786 3.257 1.00 0.73 H new ATOM 0 HG12 VAL A 103 -6.069 -13.138 2.779 1.00 0.73 H new ATOM 0 HG13 VAL A 103 -4.727 -13.955 1.944 1.00 0.73 H new ATOM 0 HG21 VAL A 103 -3.532 -15.181 4.549 1.00 0.66 H new ATOM 0 HG22 VAL A 103 -2.549 -14.415 3.278 1.00 0.66 H new ATOM 0 HG23 VAL A 103 -2.443 -13.834 4.957 1.00 0.66 H new ATOM 1520 N ARG A 104 -1.694 -10.905 4.336 1.00 0.74 N ATOM 1521 CA ARG A 104 -0.953 -9.888 5.052 1.00 0.67 C ATOM 1522 C ARG A 104 -0.868 -8.672 4.145 1.00 0.59 C ATOM 1523 O ARG A 104 -0.714 -8.830 2.931 1.00 0.66 O ATOM 1524 CB ARG A 104 0.470 -10.372 5.298 1.00 0.70 C ATOM 1525 CG ARG A 104 0.584 -11.673 6.100 1.00 1.08 C ATOM 1526 CD ARG A 104 -0.197 -11.580 7.412 1.00 2.35 C ATOM 1527 NE ARG A 104 0.123 -12.684 8.327 1.00 3.05 N ATOM 1528 CZ ARG A 104 0.661 -12.565 9.548 1.00 3.79 C ATOM 1529 NH1 ARG A 104 1.307 -11.455 9.894 1.00 4.24 N ATOM 1530 NH2 ARG A 104 0.538 -13.566 10.413 1.00 4.91 N ATOM 0 H ARG A 104 -1.124 -11.452 3.690 1.00 0.74 H new ATOM 0 HA ARG A 104 -1.441 -9.664 6.001 1.00 0.67 H new ATOM 0 HB2 ARG A 104 0.961 -10.513 4.335 1.00 0.70 H new ATOM 0 HB3 ARG A 104 1.018 -9.590 5.824 1.00 0.70 H new ATOM 0 HG2 ARG A 104 0.205 -12.505 5.506 1.00 1.08 H new ATOM 0 HG3 ARG A 104 1.632 -11.883 6.311 1.00 1.08 H new ATOM 0 HD2 ARG A 104 0.026 -10.631 7.899 1.00 2.35 H new ATOM 0 HD3 ARG A 104 -1.266 -11.586 7.198 1.00 2.35 H new ATOM 0 HE ARG A 104 -0.084 -13.629 8.002 1.00 3.05 H new ATOM 0 HH11 ARG A 104 1.395 -10.688 9.228 1.00 4.24 H new ATOM 0 HH12 ARG A 104 1.714 -11.371 10.825 1.00 4.24 H new ATOM 0 HH21 ARG A 104 0.038 -14.414 10.144 1.00 4.91 H new ATOM 0 HH22 ARG A 104 0.943 -13.487 11.346 1.00 4.91 H new ATOM 1544 N LEU A 105 -0.899 -7.479 4.729 1.00 0.55 N ATOM 1545 CA LEU A 105 -0.638 -6.235 4.036 1.00 0.49 C ATOM 1546 C LEU A 105 0.014 -5.303 5.043 1.00 0.53 C ATOM 1547 O LEU A 105 -0.418 -5.248 6.193 1.00 0.76 O ATOM 1548 CB LEU A 105 -1.977 -5.661 3.546 1.00 0.57 C ATOM 1549 CG LEU A 105 -1.873 -4.314 2.809 1.00 0.60 C ATOM 1550 CD1 LEU A 105 -1.587 -4.549 1.326 1.00 1.83 C ATOM 1551 CD2 LEU A 105 -3.168 -3.506 2.933 1.00 2.00 C ATOM 0 H LEU A 105 -1.111 -7.354 5.719 1.00 0.55 H new ATOM 0 HA LEU A 105 0.015 -6.369 3.173 1.00 0.49 H new ATOM 0 HB2 LEU A 105 -2.446 -6.387 2.882 1.00 0.57 H new ATOM 0 HB3 LEU A 105 -2.639 -5.540 4.403 1.00 0.57 H new ATOM 0 HG LEU A 105 -1.060 -3.752 3.269 1.00 0.60 H new ATOM 0 HD11 LEU A 105 -1.515 -3.590 0.813 1.00 1.83 H new ATOM 0 HD12 LEU A 105 -0.647 -5.090 1.218 1.00 1.83 H new ATOM 0 HD13 LEU A 105 -2.395 -5.135 0.888 1.00 1.83 H new ATOM 0 HD21 LEU A 105 -3.059 -2.561 2.401 1.00 2.00 H new ATOM 0 HD22 LEU A 105 -3.993 -4.073 2.501 1.00 2.00 H new ATOM 0 HD23 LEU A 105 -3.374 -3.309 3.985 1.00 2.00 H new ATOM 1563 N GLY A 106 1.044 -4.572 4.636 1.00 0.51 N ATOM 1564 CA GLY A 106 1.682 -3.609 5.510 1.00 0.57 C ATOM 1565 C GLY A 106 2.354 -2.549 4.662 1.00 0.54 C ATOM 1566 O GLY A 106 3.096 -2.880 3.739 1.00 0.59 O ATOM 0 H GLY A 106 1.453 -4.631 3.703 1.00 0.51 H new ATOM 0 HA2 GLY A 106 0.945 -3.152 6.170 1.00 0.57 H new ATOM 0 HA3 GLY A 106 2.416 -4.105 6.146 1.00 0.57 H new ATOM 1570 N CYS A 107 2.069 -1.277 4.943 1.00 0.54 N ATOM 1571 CA CYS A 107 2.359 -0.172 4.045 1.00 0.55 C ATOM 1572 C CYS A 107 3.259 0.864 4.698 1.00 0.55 C ATOM 1573 O CYS A 107 3.384 0.895 5.921 1.00 0.60 O ATOM 1574 CB CYS A 107 1.068 0.453 3.511 1.00 0.69 C ATOM 1575 SG CYS A 107 -0.234 -0.671 2.932 1.00 1.42 S ATOM 0 H CYS A 107 1.624 -0.987 5.814 1.00 0.54 H new ATOM 0 HA CYS A 107 2.908 -0.574 3.194 1.00 0.55 H new ATOM 0 HB2 CYS A 107 0.647 1.078 4.299 1.00 0.69 H new ATOM 0 HB3 CYS A 107 1.332 1.115 2.686 1.00 0.69 H new ATOM 1580 N GLY A 108 3.911 1.690 3.879 1.00 0.61 N ATOM 1581 CA GLY A 108 4.958 2.597 4.311 1.00 0.61 C ATOM 1582 C GLY A 108 4.456 4.029 4.383 1.00 1.16 C ATOM 1583 O GLY A 108 3.609 4.352 5.210 1.00 2.85 O ATOM 0 H GLY A 108 3.717 1.743 2.879 1.00 0.61 H new ATOM 0 HA2 GLY A 108 5.327 2.290 5.290 1.00 0.61 H new ATOM 0 HA3 GLY A 108 5.799 2.539 3.621 1.00 0.61 H new ATOM 1587 N ARG A 109 5.024 4.847 3.505 1.00 0.98 N ATOM 1588 CA ARG A 109 4.942 6.294 3.350 1.00 0.84 C ATOM 1589 C ARG A 109 6.238 6.889 3.901 1.00 0.85 C ATOM 1590 O ARG A 109 6.268 7.398 5.020 1.00 1.36 O ATOM 1591 CB ARG A 109 3.667 6.925 3.945 1.00 1.01 C ATOM 1592 CG ARG A 109 3.578 8.407 3.548 1.00 0.80 C ATOM 1593 CD ARG A 109 2.231 9.035 3.914 1.00 1.29 C ATOM 1594 NE ARG A 109 2.152 10.425 3.417 1.00 1.53 N ATOM 1595 CZ ARG A 109 1.605 11.477 4.048 1.00 2.44 C ATOM 1596 NH1 ARG A 109 1.290 11.415 5.338 1.00 3.13 N ATOM 1597 NH2 ARG A 109 1.363 12.577 3.342 1.00 3.33 N ATOM 0 H ARG A 109 5.636 4.456 2.788 1.00 0.98 H new ATOM 0 HA ARG A 109 4.846 6.535 2.291 1.00 0.84 H new ATOM 0 HB2 ARG A 109 2.787 6.391 3.588 1.00 1.01 H new ATOM 0 HB3 ARG A 109 3.678 6.831 5.031 1.00 1.01 H new ATOM 0 HG2 ARG A 109 4.378 8.960 4.040 1.00 0.80 H new ATOM 0 HG3 ARG A 109 3.739 8.502 2.474 1.00 0.80 H new ATOM 0 HD2 ARG A 109 1.420 8.444 3.487 1.00 1.29 H new ATOM 0 HD3 ARG A 109 2.100 9.022 4.996 1.00 1.29 H new ATOM 0 HE ARG A 109 2.556 10.604 2.498 1.00 1.53 H new ATOM 0 HH11 ARG A 109 1.463 10.559 5.865 1.00 3.13 H new ATOM 0 HH12 ARG A 109 0.875 12.224 5.801 1.00 3.13 H new ATOM 0 HH21 ARG A 109 1.592 12.606 2.348 1.00 3.33 H new ATOM 0 HH22 ARG A 109 0.948 13.392 3.794 1.00 3.33 H new ATOM 1611 N ALA A 110 7.321 6.796 3.126 1.00 0.76 N ATOM 1612 CA ALA A 110 8.601 7.419 3.443 1.00 0.88 C ATOM 1613 C ALA A 110 8.812 8.591 2.492 1.00 0.83 C ATOM 1614 O ALA A 110 8.287 8.571 1.378 1.00 0.81 O ATOM 1615 CB ALA A 110 9.741 6.412 3.285 1.00 1.10 C ATOM 0 H ALA A 110 7.330 6.277 2.248 1.00 0.76 H new ATOM 0 HA ALA A 110 8.594 7.765 4.476 1.00 0.88 H new ATOM 0 HB1 ALA A 110 10.688 6.894 3.526 1.00 1.10 H new ATOM 0 HB2 ALA A 110 9.580 5.571 3.960 1.00 1.10 H new ATOM 0 HB3 ALA A 110 9.768 6.052 2.257 1.00 1.10 H new ATOM 1621 N ARG A 111 9.560 9.605 2.916 1.00 0.97 N ATOM 1622 CA ARG A 111 9.795 10.813 2.140 1.00 1.00 C ATOM 1623 C ARG A 111 11.173 10.743 1.485 1.00 1.07 C ATOM 1624 O ARG A 111 12.149 10.370 2.136 1.00 1.46 O ATOM 1625 CB ARG A 111 9.639 12.043 3.049 1.00 1.17 C ATOM 1626 CG ARG A 111 8.992 13.234 2.329 1.00 1.33 C ATOM 1627 CD ARG A 111 10.036 14.178 1.741 1.00 1.85 C ATOM 1628 NE ARG A 111 10.691 14.964 2.796 1.00 2.59 N ATOM 1629 CZ ARG A 111 11.861 15.609 2.687 1.00 3.76 C ATOM 1630 NH1 ARG A 111 12.684 15.347 1.669 1.00 4.89 N ATOM 1631 NH2 ARG A 111 12.212 16.495 3.615 1.00 4.70 N ATOM 0 H ARG A 111 10.026 9.608 3.823 1.00 0.97 H new ATOM 0 HA ARG A 111 9.060 10.900 1.340 1.00 1.00 H new ATOM 0 HB2 ARG A 111 9.034 11.775 3.915 1.00 1.17 H new ATOM 0 HB3 ARG A 111 10.619 12.339 3.424 1.00 1.17 H new ATOM 0 HG2 ARG A 111 8.344 12.868 1.533 1.00 1.33 H new ATOM 0 HG3 ARG A 111 8.360 13.782 3.028 1.00 1.33 H new ATOM 0 HD2 ARG A 111 10.783 13.603 1.194 1.00 1.85 H new ATOM 0 HD3 ARG A 111 9.562 14.849 1.024 1.00 1.85 H new ATOM 0 HE ARG A 111 10.211 15.024 3.694 1.00 2.59 H new ATOM 0 HH11 ARG A 111 12.424 14.653 0.969 1.00 4.89 H new ATOM 0 HH12 ARG A 111 13.573 15.841 1.592 1.00 4.89 H new ATOM 0 HH21 ARG A 111 11.592 16.680 4.404 1.00 4.70 H new ATOM 0 HH22 ARG A 111 13.101 16.989 3.538 1.00 4.70 H new ATOM 1645 N CYS A 112 11.254 11.077 0.199 1.00 0.98 N ATOM 1646 CA CYS A 112 12.477 11.022 -0.591 1.00 1.09 C ATOM 1647 C CYS A 112 13.261 12.324 -0.509 1.00 1.56 C ATOM 1648 O CYS A 112 12.696 13.402 -0.312 1.00 1.83 O ATOM 1649 CB CYS A 112 12.175 10.703 -2.059 1.00 1.12 C ATOM 1650 SG CYS A 112 11.040 9.353 -2.400 1.00 1.45 S ATOM 0 H CYS A 112 10.448 11.402 -0.335 1.00 0.98 H new ATOM 0 HA CYS A 112 13.086 10.222 -0.169 1.00 1.09 H new ATOM 0 HB2 CYS A 112 11.774 11.604 -2.523 1.00 1.12 H new ATOM 0 HB3 CYS A 112 13.120 10.482 -2.556 1.00 1.12 H new ATOM 1690 N TRP A 116 9.415 14.262 -2.935 1.00 1.86 N ATOM 1691 CA TRP A 116 8.178 13.515 -3.071 1.00 0.88 C ATOM 1692 C TRP A 116 8.103 12.462 -1.973 1.00 0.83 C ATOM 1693 O TRP A 116 9.130 12.018 -1.455 1.00 1.03 O ATOM 1694 CB TRP A 116 8.122 12.872 -4.458 1.00 1.23 C ATOM 1695 CG TRP A 116 8.161 13.812 -5.624 1.00 1.26 C ATOM 1696 CD1 TRP A 116 8.034 15.159 -5.578 1.00 1.58 C ATOM 1697 CD2 TRP A 116 8.367 13.483 -7.028 1.00 1.38 C ATOM 1698 NE1 TRP A 116 8.120 15.673 -6.850 1.00 1.79 N ATOM 1699 CE2 TRP A 116 8.351 14.690 -7.783 1.00 1.59 C ATOM 1700 CE3 TRP A 116 8.544 12.282 -7.745 1.00 1.66 C ATOM 1701 CZ2 TRP A 116 8.508 14.707 -9.171 1.00 1.81 C ATOM 1702 CZ3 TRP A 116 8.754 12.291 -9.138 1.00 1.97 C ATOM 1703 CH2 TRP A 116 8.703 13.498 -9.855 1.00 1.92 C ATOM 0 HA TRP A 116 7.322 14.182 -2.968 1.00 0.88 H new ATOM 0 HB2 TRP A 116 8.958 12.179 -4.548 1.00 1.23 H new ATOM 0 HB3 TRP A 116 7.209 12.280 -4.525 1.00 1.23 H new ATOM 0 HD1 TRP A 116 7.888 15.741 -4.680 1.00 1.58 H new ATOM 0 HE1 TRP A 116 8.024 16.663 -7.074 1.00 1.79 H new ATOM 0 HE3 TRP A 116 8.518 11.340 -7.218 1.00 1.66 H new ATOM 0 HZ2 TRP A 116 8.480 15.641 -9.712 1.00 1.81 H new ATOM 0 HZ3 TRP A 116 8.955 11.366 -9.657 1.00 1.97 H new ATOM 0 HH2 TRP A 116 8.814 13.495 -10.929 1.00 1.92 H new ATOM 1714 N TRP A 117 6.893 12.020 -1.648 1.00 0.85 N ATOM 1715 CA TRP A 117 6.726 10.834 -0.830 1.00 1.01 C ATOM 1716 C TRP A 117 6.800 9.627 -1.752 1.00 1.05 C ATOM 1717 O TRP A 117 6.234 9.646 -2.848 1.00 1.38 O ATOM 1718 CB TRP A 117 5.426 10.881 -0.030 1.00 1.26 C ATOM 1719 CG TRP A 117 5.405 11.927 1.047 1.00 1.22 C ATOM 1720 CD1 TRP A 117 5.115 13.232 0.866 1.00 1.35 C ATOM 1721 CD2 TRP A 117 5.780 11.806 2.452 1.00 1.14 C ATOM 1722 NE1 TRP A 117 5.256 13.922 2.047 1.00 1.33 N ATOM 1723 CE2 TRP A 117 5.697 13.097 3.055 1.00 1.21 C ATOM 1724 CE3 TRP A 117 6.222 10.747 3.270 1.00 1.10 C ATOM 1725 CZ2 TRP A 117 6.072 13.333 4.383 1.00 1.24 C ATOM 1726 CZ3 TRP A 117 6.606 10.972 4.605 1.00 1.14 C ATOM 1727 CH2 TRP A 117 6.595 12.274 5.135 1.00 1.20 C ATOM 0 H TRP A 117 6.022 12.464 -1.938 1.00 0.85 H new ATOM 0 HA TRP A 117 7.519 10.771 -0.085 1.00 1.01 H new ATOM 0 HB2 TRP A 117 4.597 11.063 -0.714 1.00 1.26 H new ATOM 0 HB3 TRP A 117 5.256 9.905 0.424 1.00 1.26 H new ATOM 0 HD1 TRP A 117 4.815 13.672 -0.073 1.00 1.35 H new ATOM 0 HE1 TRP A 117 5.059 14.916 2.161 1.00 1.33 H new ATOM 0 HE3 TRP A 117 6.267 9.747 2.866 1.00 1.10 H new ATOM 0 HZ2 TRP A 117 5.960 14.314 4.820 1.00 1.24 H new ATOM 0 HZ3 TRP A 117 6.910 10.141 5.225 1.00 1.14 H new ATOM 0 HH2 TRP A 117 6.990 12.458 6.123 1.00 1.20 H new ATOM 1738 N PHE A 118 7.528 8.601 -1.328 1.00 0.93 N ATOM 1739 CA PHE A 118 7.421 7.256 -1.871 1.00 0.79 C ATOM 1740 C PHE A 118 6.474 6.477 -0.982 1.00 0.63 C ATOM 1741 O PHE A 118 6.840 6.085 0.130 1.00 1.05 O ATOM 1742 CB PHE A 118 8.788 6.581 -1.926 1.00 0.97 C ATOM 1743 CG PHE A 118 8.858 5.318 -2.759 1.00 0.99 C ATOM 1744 CD1 PHE A 118 9.216 5.388 -4.116 1.00 1.80 C ATOM 1745 CD2 PHE A 118 8.781 4.062 -2.126 1.00 2.35 C ATOM 1746 CE1 PHE A 118 9.617 4.226 -4.793 1.00 1.84 C ATOM 1747 CE2 PHE A 118 9.282 2.920 -2.771 1.00 2.43 C ATOM 1748 CZ PHE A 118 9.721 3.008 -4.103 1.00 1.23 C ATOM 0 H PHE A 118 8.221 8.684 -0.584 1.00 0.93 H new ATOM 0 HA PHE A 118 7.041 7.291 -2.892 1.00 0.79 H new ATOM 0 HB2 PHE A 118 9.511 7.295 -2.319 1.00 0.97 H new ATOM 0 HB3 PHE A 118 9.097 6.342 -0.908 1.00 0.97 H new ATOM 0 HD1 PHE A 118 9.183 6.334 -4.637 1.00 1.80 H new ATOM 0 HD2 PHE A 118 8.337 3.978 -1.145 1.00 2.35 H new ATOM 0 HE1 PHE A 118 9.846 4.269 -5.848 1.00 1.84 H new ATOM 0 HE2 PHE A 118 9.330 1.978 -2.246 1.00 2.43 H new ATOM 0 HZ PHE A 118 10.137 2.141 -4.594 1.00 1.23 H new ATOM 1758 N ILE A 119 5.255 6.256 -1.454 1.00 0.38 N ATOM 1759 CA ILE A 119 4.375 5.281 -0.853 1.00 0.46 C ATOM 1760 C ILE A 119 4.732 3.929 -1.459 1.00 0.45 C ATOM 1761 O ILE A 119 4.942 3.808 -2.663 1.00 0.47 O ATOM 1762 CB ILE A 119 2.909 5.702 -1.051 1.00 0.60 C ATOM 1763 CG1 ILE A 119 2.533 6.664 0.085 1.00 0.57 C ATOM 1764 CG2 ILE A 119 1.978 4.488 -1.128 1.00 0.85 C ATOM 1765 CD1 ILE A 119 1.476 7.671 -0.372 1.00 1.00 C ATOM 0 H ILE A 119 4.857 6.745 -2.256 1.00 0.38 H new ATOM 0 HA ILE A 119 4.501 5.210 0.227 1.00 0.46 H new ATOM 0 HB ILE A 119 2.792 6.215 -2.006 1.00 0.60 H new ATOM 0 HG12 ILE A 119 2.155 6.097 0.936 1.00 0.57 H new ATOM 0 HG13 ILE A 119 3.422 7.195 0.425 1.00 0.57 H new ATOM 0 HG21 ILE A 119 0.951 4.825 -1.268 1.00 0.85 H new ATOM 0 HG22 ILE A 119 2.271 3.858 -1.968 1.00 0.85 H new ATOM 0 HG23 ILE A 119 2.049 3.916 -0.203 1.00 0.85 H new ATOM 0 HD11 ILE A 119 1.229 8.339 0.453 1.00 1.00 H new ATOM 0 HD12 ILE A 119 1.865 8.254 -1.207 1.00 1.00 H new ATOM 0 HD13 ILE A 119 0.579 7.139 -0.688 1.00 1.00 H new ATOM 1777 N SER A 120 4.793 2.915 -0.609 1.00 0.71 N ATOM 1778 CA SER A 120 4.962 1.532 -0.992 1.00 0.74 C ATOM 1779 C SER A 120 4.033 0.737 -0.094 1.00 0.66 C ATOM 1780 O SER A 120 3.849 1.139 1.061 1.00 0.63 O ATOM 1781 CB SER A 120 6.412 1.127 -0.736 1.00 0.80 C ATOM 1782 OG SER A 120 6.815 1.578 0.549 1.00 1.84 O ATOM 0 H SER A 120 4.723 3.043 0.401 1.00 0.71 H new ATOM 0 HA SER A 120 4.736 1.360 -2.044 1.00 0.74 H new ATOM 0 HB2 SER A 120 6.514 0.044 -0.800 1.00 0.80 H new ATOM 0 HB3 SER A 120 7.060 1.554 -1.502 1.00 0.80 H new ATOM 0 HG SER A 120 7.618 1.091 0.830 1.00 1.84 H new ATOM 1788 N CYS A 121 3.493 -0.384 -0.564 1.00 0.70 N ATOM 1789 CA CYS A 121 2.854 -1.326 0.339 1.00 0.63 C ATOM 1790 C CYS A 121 3.220 -2.763 0.029 1.00 0.67 C ATOM 1791 O CYS A 121 3.109 -3.154 -1.127 1.00 0.87 O ATOM 1792 CB CYS A 121 1.344 -1.144 0.365 1.00 0.90 C ATOM 1793 SG CYS A 121 0.700 -2.102 1.736 1.00 1.83 S ATOM 0 H CYS A 121 3.486 -0.656 -1.547 1.00 0.70 H new ATOM 0 HA CYS A 121 3.237 -1.104 1.335 1.00 0.63 H new ATOM 0 HB2 CYS A 121 1.088 -0.091 0.481 1.00 0.90 H new ATOM 0 HB3 CYS A 121 0.903 -1.477 -0.574 1.00 0.90 H new ATOM 1798 N ASN A 122 3.682 -3.508 1.035 1.00 0.61 N ATOM 1799 CA ASN A 122 4.020 -4.924 0.956 1.00 0.73 C ATOM 1800 C ASN A 122 2.765 -5.748 1.191 1.00 0.71 C ATOM 1801 O ASN A 122 1.851 -5.309 1.890 1.00 0.78 O ATOM 1802 CB ASN A 122 5.033 -5.315 2.045 1.00 1.10 C ATOM 1803 CG ASN A 122 6.489 -5.302 1.614 1.00 1.35 C ATOM 1804 OD1 ASN A 122 7.262 -4.482 2.093 1.00 2.79 O ATOM 1805 ND2 ASN A 122 6.902 -6.209 0.735 1.00 1.38 N ATOM 0 H ASN A 122 3.836 -3.121 1.966 1.00 0.61 H new ATOM 0 HA ASN A 122 4.448 -5.112 -0.029 1.00 0.73 H new ATOM 0 HB2 ASN A 122 4.915 -4.635 2.888 1.00 1.10 H new ATOM 0 HB3 ASN A 122 4.787 -6.314 2.405 1.00 1.10 H new ATOM 0 HD21 ASN A 122 7.880 -6.231 0.447 1.00 1.38 H new ATOM 0 HD22 ASN A 122 6.241 -6.883 0.349 1.00 1.38 H new ATOM 1812 N TYR A 123 2.765 -6.956 0.629 1.00 0.70 N ATOM 1813 CA TYR A 123 1.709 -7.951 0.683 1.00 0.65 C ATOM 1814 C TYR A 123 2.414 -9.287 0.922 1.00 0.69 C ATOM 1815 O TYR A 123 3.522 -9.451 0.406 1.00 0.76 O ATOM 1816 CB TYR A 123 0.988 -7.993 -0.674 1.00 0.50 C ATOM 1817 CG TYR A 123 0.268 -6.724 -1.096 1.00 0.50 C ATOM 1818 CD1 TYR A 123 1.009 -5.598 -1.493 1.00 1.63 C ATOM 1819 CD2 TYR A 123 -1.134 -6.707 -1.224 1.00 2.12 C ATOM 1820 CE1 TYR A 123 0.363 -4.470 -2.017 1.00 1.63 C ATOM 1821 CE2 TYR A 123 -1.774 -5.584 -1.784 1.00 2.16 C ATOM 1822 CZ TYR A 123 -1.022 -4.478 -2.209 1.00 0.65 C ATOM 1823 OH TYR A 123 -1.613 -3.405 -2.811 1.00 0.82 O ATOM 0 H TYR A 123 3.564 -7.283 0.086 1.00 0.70 H new ATOM 0 HA TYR A 123 0.977 -7.732 1.460 1.00 0.65 H new ATOM 0 HB2 TYR A 123 1.720 -8.242 -1.442 1.00 0.50 H new ATOM 0 HB3 TYR A 123 0.262 -8.806 -0.650 1.00 0.50 H new ATOM 0 HD1 TYR A 123 2.084 -5.602 -1.394 1.00 1.63 H new ATOM 0 HD2 TYR A 123 -1.718 -7.553 -0.893 1.00 2.12 H new ATOM 0 HE1 TYR A 123 0.937 -3.592 -2.273 1.00 1.63 H new ATOM 0 HE2 TYR A 123 -2.849 -5.574 -1.887 1.00 2.16 H new ATOM 0 HH TYR A 123 -2.192 -2.946 -2.167 1.00 0.82 H new ATOM 1833 N ASP A 124 1.824 -10.221 1.673 1.00 0.72 N ATOM 1834 CA ASP A 124 2.322 -11.599 1.740 1.00 0.71 C ATOM 1835 C ASP A 124 1.151 -12.568 1.570 1.00 0.60 C ATOM 1836 O ASP A 124 0.106 -12.322 2.188 1.00 0.62 O ATOM 1837 CB ASP A 124 3.056 -11.905 3.053 1.00 0.92 C ATOM 1838 CG ASP A 124 3.598 -13.314 3.015 1.00 1.19 C ATOM 1839 OD1 ASP A 124 2.834 -14.252 3.324 1.00 2.35 O ATOM 1840 OD2 ASP A 124 4.768 -13.464 2.611 1.00 1.97 O ATOM 0 H ASP A 124 0.998 -10.048 2.245 1.00 0.72 H new ATOM 0 HA ASP A 124 3.045 -11.722 0.934 1.00 0.71 H new ATOM 0 HB2 ASP A 124 3.870 -11.195 3.200 1.00 0.92 H new ATOM 0 HB3 ASP A 124 2.376 -11.789 3.897 1.00 0.92 H new ATOM 1845 N PRO A 125 1.294 -13.652 0.783 1.00 0.62 N ATOM 1846 CA PRO A 125 2.379 -13.934 -0.159 1.00 0.71 C ATOM 1847 C PRO A 125 2.524 -12.867 -1.251 1.00 0.77 C ATOM 1848 O PRO A 125 1.734 -11.928 -1.339 1.00 0.82 O ATOM 1849 CB PRO A 125 2.071 -15.314 -0.758 1.00 0.83 C ATOM 1850 CG PRO A 125 0.581 -15.509 -0.487 1.00 0.78 C ATOM 1851 CD PRO A 125 0.406 -14.795 0.846 1.00 0.64 C ATOM 0 HA PRO A 125 3.337 -13.922 0.360 1.00 0.71 H new ATOM 0 HB2 PRO A 125 2.290 -15.344 -1.825 1.00 0.83 H new ATOM 0 HB3 PRO A 125 2.668 -16.096 -0.288 1.00 0.83 H new ATOM 0 HG2 PRO A 125 -0.037 -15.069 -1.270 1.00 0.78 H new ATOM 0 HG3 PRO A 125 0.312 -16.563 -0.423 1.00 0.78 H new ATOM 0 HD2 PRO A 125 -0.628 -14.483 0.993 1.00 0.64 H new ATOM 0 HD3 PRO A 125 0.663 -15.448 1.680 1.00 0.64 H new ATOM 1859 N VAL A 126 3.584 -12.988 -2.052 1.00 0.84 N ATOM 1860 CA VAL A 126 3.964 -11.961 -3.010 1.00 0.98 C ATOM 1861 C VAL A 126 2.991 -11.890 -4.185 1.00 0.98 C ATOM 1862 O VAL A 126 2.144 -12.759 -4.392 1.00 1.02 O ATOM 1863 CB VAL A 126 5.433 -12.097 -3.428 1.00 1.37 C ATOM 1864 CG1 VAL A 126 6.319 -12.239 -2.190 1.00 1.52 C ATOM 1865 CG2 VAL A 126 5.694 -13.264 -4.376 1.00 1.59 C ATOM 0 H VAL A 126 4.199 -13.801 -2.051 1.00 0.84 H new ATOM 0 HA VAL A 126 3.887 -10.993 -2.514 1.00 0.98 H new ATOM 0 HB VAL A 126 5.679 -11.186 -3.974 1.00 1.37 H new ATOM 0 HG11 VAL A 126 7.360 -12.335 -2.497 1.00 1.52 H new ATOM 0 HG12 VAL A 126 6.206 -11.357 -1.559 1.00 1.52 H new ATOM 0 HG13 VAL A 126 6.023 -13.126 -1.630 1.00 1.52 H new ATOM 0 HG21 VAL A 126 6.754 -13.298 -4.628 1.00 1.59 H new ATOM 0 HG22 VAL A 126 5.406 -14.197 -3.892 1.00 1.59 H new ATOM 0 HG23 VAL A 126 5.108 -13.132 -5.286 1.00 1.59 H new ATOM 1875 N GLY A 127 3.143 -10.815 -4.951 1.00 1.22 N ATOM 1876 CA GLY A 127 2.110 -10.296 -5.813 1.00 1.38 C ATOM 1877 C GLY A 127 2.378 -10.366 -7.312 1.00 1.12 C ATOM 1878 O GLY A 127 3.528 -10.253 -7.743 1.00 1.36 O ATOM 0 H GLY A 127 4.008 -10.276 -4.984 1.00 1.22 H new ATOM 0 HA2 GLY A 127 1.188 -10.838 -5.605 1.00 1.38 H new ATOM 0 HA3 GLY A 127 1.934 -9.254 -5.546 1.00 1.38 H new ATOM 1882 N ASN A 128 1.302 -10.509 -8.101 1.00 0.96 N ATOM 1883 CA ASN A 128 1.309 -10.694 -9.558 1.00 1.08 C ATOM 1884 C ASN A 128 2.335 -11.764 -9.939 1.00 1.23 C ATOM 1885 O ASN A 128 3.035 -11.664 -10.945 1.00 1.53 O ATOM 1886 CB ASN A 128 1.497 -9.359 -10.295 1.00 1.35 C ATOM 1887 CG ASN A 128 0.209 -8.539 -10.393 1.00 1.31 C ATOM 1888 OD1 ASN A 128 -0.440 -8.489 -11.438 1.00 1.82 O ATOM 1889 ND2 ASN A 128 -0.195 -7.852 -9.332 1.00 1.78 N ATOM 0 H ASN A 128 0.356 -10.498 -7.719 1.00 0.96 H new ATOM 0 HA ASN A 128 0.335 -11.060 -9.884 1.00 1.08 H new ATOM 0 HB2 ASN A 128 2.256 -8.771 -9.780 1.00 1.35 H new ATOM 0 HB3 ASN A 128 1.873 -9.555 -11.299 1.00 1.35 H new ATOM 0 HD21 ASN A 128 -1.041 -7.285 -9.384 1.00 1.78 H new ATOM 0 HD22 ASN A 128 0.340 -7.891 -8.465 1.00 1.78 H new ATOM 1896 N TRP A 129 2.454 -12.761 -9.067 1.00 1.12 N ATOM 1897 CA TRP A 129 3.396 -13.862 -9.115 1.00 1.32 C ATOM 1898 C TRP A 129 2.675 -15.059 -9.757 1.00 1.58 C ATOM 1899 O TRP A 129 1.458 -15.018 -9.945 1.00 1.46 O ATOM 1900 CB TRP A 129 3.975 -13.983 -7.689 1.00 1.19 C ATOM 1901 CG TRP A 129 4.168 -15.284 -6.989 1.00 1.53 C ATOM 1902 CD1 TRP A 129 3.210 -15.935 -6.299 1.00 1.73 C ATOM 1903 CD2 TRP A 129 5.424 -15.930 -6.625 1.00 1.93 C ATOM 1904 NE1 TRP A 129 3.769 -16.983 -5.600 1.00 2.17 N ATOM 1905 CE2 TRP A 129 5.141 -17.011 -5.740 1.00 2.32 C ATOM 1906 CE3 TRP A 129 6.785 -15.670 -6.902 1.00 2.09 C ATOM 1907 CZ2 TRP A 129 6.153 -17.808 -5.184 1.00 2.81 C ATOM 1908 CZ3 TRP A 129 7.801 -16.501 -6.399 1.00 2.53 C ATOM 1909 CH2 TRP A 129 7.490 -17.565 -5.536 1.00 2.89 C ATOM 0 H TRP A 129 1.847 -12.820 -8.250 1.00 1.12 H new ATOM 0 HA TRP A 129 4.273 -13.747 -9.751 1.00 1.32 H new ATOM 0 HB2 TRP A 129 4.951 -13.499 -7.712 1.00 1.19 H new ATOM 0 HB3 TRP A 129 3.335 -13.380 -7.045 1.00 1.19 H new ATOM 0 HD1 TRP A 129 2.162 -15.674 -6.295 1.00 1.73 H new ATOM 0 HE1 TRP A 129 3.235 -17.654 -5.048 1.00 2.17 H new ATOM 0 HE3 TRP A 129 7.049 -14.818 -7.511 1.00 2.09 H new ATOM 0 HZ2 TRP A 129 5.906 -18.600 -4.493 1.00 2.81 H new ATOM 0 HZ3 TRP A 129 8.829 -16.320 -6.678 1.00 2.53 H new ATOM 0 HH2 TRP A 129 8.276 -18.194 -5.145 1.00 2.89 H new ATOM 1920 N ILE A 130 3.409 -16.064 -10.230 1.00 2.08 N ATOM 1921 CA ILE A 130 2.856 -17.081 -11.122 1.00 2.12 C ATOM 1922 C ILE A 130 1.843 -18.016 -10.450 1.00 1.93 C ATOM 1923 O ILE A 130 1.646 -18.002 -9.233 1.00 2.15 O ATOM 1924 CB ILE A 130 3.999 -17.811 -11.872 1.00 2.77 C ATOM 1925 CG1 ILE A 130 3.772 -17.784 -13.394 1.00 3.03 C ATOM 1926 CG2 ILE A 130 4.326 -19.203 -11.313 1.00 3.13 C ATOM 1927 CD1 ILE A 130 4.941 -18.393 -14.174 1.00 4.07 C ATOM 0 H ILE A 130 4.396 -16.196 -10.008 1.00 2.08 H new ATOM 0 HA ILE A 130 2.251 -16.570 -11.871 1.00 2.12 H new ATOM 0 HB ILE A 130 4.910 -17.244 -11.681 1.00 2.77 H new ATOM 0 HG12 ILE A 130 2.858 -18.329 -13.631 1.00 3.03 H new ATOM 0 HG13 ILE A 130 3.622 -16.754 -13.717 1.00 3.03 H new ATOM 0 HG21 ILE A 130 5.136 -19.647 -11.892 1.00 3.13 H new ATOM 0 HG22 ILE A 130 4.632 -19.114 -10.271 1.00 3.13 H new ATOM 0 HG23 ILE A 130 3.443 -19.838 -11.379 1.00 3.13 H new ATOM 0 HD11 ILE A 130 4.728 -18.348 -15.242 1.00 4.07 H new ATOM 0 HD12 ILE A 130 5.851 -17.833 -13.961 1.00 4.07 H new ATOM 0 HD13 ILE A 130 5.076 -19.432 -13.874 1.00 4.07 H new ATOM 1939 N GLY A 131 1.196 -18.848 -11.263 1.00 1.97 N ATOM 1940 CA GLY A 131 0.349 -19.937 -10.815 1.00 2.13 C ATOM 1941 C GLY A 131 -1.074 -19.450 -10.589 1.00 1.93 C ATOM 1942 O GLY A 131 -2.020 -19.990 -11.161 1.00 2.87 O ATOM 0 H GLY A 131 1.252 -18.776 -12.279 1.00 1.97 H new ATOM 0 HA2 GLY A 131 0.352 -20.736 -11.556 1.00 2.13 H new ATOM 0 HA3 GLY A 131 0.746 -20.358 -9.891 1.00 2.13 H new ATOM 1946 N GLN A 132 -1.228 -18.438 -9.741 1.00 1.47 N ATOM 1947 CA GLN A 132 -2.524 -17.974 -9.269 1.00 1.51 C ATOM 1948 C GLN A 132 -3.081 -16.837 -10.134 1.00 1.55 C ATOM 1949 O GLN A 132 -2.321 -16.104 -10.773 1.00 2.41 O ATOM 1950 CB GLN A 132 -2.392 -17.578 -7.795 1.00 1.65 C ATOM 1951 CG GLN A 132 -1.414 -16.415 -7.583 1.00 2.11 C ATOM 1952 CD GLN A 132 -0.451 -16.675 -6.432 1.00 1.72 C ATOM 1953 OE1 GLN A 132 -0.588 -16.100 -5.359 1.00 2.41 O ATOM 1954 NE2 GLN A 132 0.560 -17.511 -6.636 1.00 2.09 N ATOM 0 H GLN A 132 -0.443 -17.911 -9.358 1.00 1.47 H new ATOM 0 HA GLN A 132 -3.251 -18.781 -9.356 1.00 1.51 H new ATOM 0 HB2 GLN A 132 -3.372 -17.299 -7.408 1.00 1.65 H new ATOM 0 HB3 GLN A 132 -2.056 -18.440 -7.219 1.00 1.65 H new ATOM 0 HG2 GLN A 132 -0.846 -16.248 -8.499 1.00 2.11 H new ATOM 0 HG3 GLN A 132 -1.975 -15.502 -7.385 1.00 2.11 H new ATOM 0 HE21 GLN A 132 0.659 -17.981 -7.536 1.00 2.09 H new ATOM 0 HE22 GLN A 132 1.238 -17.683 -5.893 1.00 2.09 H new ATOM 1963 N ARG A 133 -4.403 -16.684 -10.155 1.00 1.61 N ATOM 1964 CA ARG A 133 -5.097 -15.516 -10.692 1.00 1.64 C ATOM 1965 C ARG A 133 -4.963 -14.369 -9.669 1.00 1.37 C ATOM 1966 O ARG A 133 -4.473 -14.609 -8.565 1.00 1.53 O ATOM 1967 CB ARG A 133 -6.575 -15.880 -10.945 1.00 2.10 C ATOM 1968 CG ARG A 133 -7.110 -15.444 -12.321 1.00 3.10 C ATOM 1969 CD ARG A 133 -7.316 -16.601 -13.301 1.00 3.62 C ATOM 1970 NE ARG A 133 -6.052 -17.282 -13.613 1.00 4.26 N ATOM 1971 CZ ARG A 133 -5.534 -17.526 -14.825 1.00 5.45 C ATOM 1972 NH1 ARG A 133 -6.045 -16.993 -15.936 1.00 6.07 N ATOM 1973 NH2 ARG A 133 -4.481 -18.338 -14.911 1.00 6.59 N ATOM 0 H ARG A 133 -5.040 -17.391 -9.788 1.00 1.61 H new ATOM 0 HA ARG A 133 -4.664 -15.197 -11.640 1.00 1.64 H new ATOM 0 HB2 ARG A 133 -6.693 -16.959 -10.848 1.00 2.10 H new ATOM 0 HB3 ARG A 133 -7.188 -15.422 -10.169 1.00 2.10 H new ATOM 0 HG2 ARG A 133 -8.058 -14.924 -12.183 1.00 3.10 H new ATOM 0 HG3 ARG A 133 -6.415 -14.728 -12.760 1.00 3.10 H new ATOM 0 HD2 ARG A 133 -8.019 -17.317 -12.876 1.00 3.62 H new ATOM 0 HD3 ARG A 133 -7.762 -16.223 -14.221 1.00 3.62 H new ATOM 0 HE ARG A 133 -5.506 -17.607 -12.815 1.00 4.26 H new ATOM 0 HH11 ARG A 133 -6.856 -16.377 -15.880 1.00 6.07 H new ATOM 0 HH12 ARG A 133 -5.624 -17.201 -16.842 1.00 6.07 H new ATOM 0 HH21 ARG A 133 -4.089 -18.756 -14.067 1.00 6.59 H new ATOM 0 HH22 ARG A 133 -4.067 -18.541 -15.821 1.00 6.59 H new ATOM 1987 N PRO A 134 -5.380 -13.129 -9.984 1.00 1.12 N ATOM 1988 CA PRO A 134 -5.418 -12.075 -8.996 1.00 0.89 C ATOM 1989 C PRO A 134 -6.610 -12.295 -8.071 1.00 0.83 C ATOM 1990 O PRO A 134 -6.425 -12.757 -6.950 1.00 1.29 O ATOM 1991 CB PRO A 134 -5.458 -10.758 -9.775 1.00 0.86 C ATOM 1992 CG PRO A 134 -5.997 -11.125 -11.160 1.00 1.11 C ATOM 1993 CD PRO A 134 -5.896 -12.652 -11.254 1.00 1.24 C ATOM 0 HA PRO A 134 -4.546 -12.060 -8.342 1.00 0.89 H new ATOM 0 HB2 PRO A 134 -6.102 -10.029 -9.283 1.00 0.86 H new ATOM 0 HB3 PRO A 134 -4.466 -10.312 -9.844 1.00 0.86 H new ATOM 0 HG2 PRO A 134 -7.028 -10.793 -11.279 1.00 1.11 H new ATOM 0 HG3 PRO A 134 -5.415 -10.645 -11.946 1.00 1.11 H new ATOM 0 HD2 PRO A 134 -6.873 -13.090 -11.461 1.00 1.24 H new ATOM 0 HD3 PRO A 134 -5.236 -12.944 -12.071 1.00 1.24 H new ATOM 2001 N TYR A 135 -7.819 -11.991 -8.534 1.00 1.13 N ATOM 2002 CA TYR A 135 -9.052 -12.267 -7.816 1.00 1.08 C ATOM 2003 C TYR A 135 -9.598 -13.598 -8.325 1.00 1.20 C ATOM 2004 O TYR A 135 -9.704 -14.512 -7.484 1.00 2.14 O ATOM 2005 CB TYR A 135 -10.066 -11.134 -8.014 1.00 0.85 C ATOM 2006 CG TYR A 135 -10.405 -10.807 -9.451 1.00 0.65 C ATOM 2007 CD1 TYR A 135 -9.579 -9.969 -10.224 1.00 1.87 C ATOM 2008 CD2 TYR A 135 -11.544 -11.385 -10.029 1.00 1.80 C ATOM 2009 CE1 TYR A 135 -9.894 -9.700 -11.567 1.00 1.68 C ATOM 2010 CE2 TYR A 135 -11.843 -11.138 -11.373 1.00 2.15 C ATOM 2011 CZ TYR A 135 -11.023 -10.301 -12.143 1.00 1.05 C ATOM 2012 OH TYR A 135 -11.282 -10.154 -13.468 1.00 1.60 O ATOM 2013 OXT TYR A 135 -9.318 -13.882 -9.508 1.00 2.20 O ATOM 0 H TYR A 135 -7.968 -11.538 -9.435 1.00 1.13 H new ATOM 0 HA TYR A 135 -8.861 -12.330 -6.745 1.00 1.08 H new ATOM 0 HB2 TYR A 135 -10.986 -11.398 -7.493 1.00 0.85 H new ATOM 0 HB3 TYR A 135 -9.677 -10.234 -7.537 1.00 0.85 H new ATOM 0 HD1 TYR A 135 -8.697 -9.530 -9.782 1.00 1.87 H new ATOM 0 HD2 TYR A 135 -12.189 -12.019 -9.438 1.00 1.80 H new ATOM 0 HE1 TYR A 135 -9.273 -9.037 -12.150 1.00 1.68 H new ATOM 0 HE2 TYR A 135 -12.713 -11.596 -11.821 1.00 2.15 H new ATOM 0 HH TYR A 135 -10.510 -9.740 -13.908 1.00 1.60 H new