USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN : amide:sc= -4.61! C(o=-4.3!,f=-4.9!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.272 K(o=-4.3,f=-6.2) USER MOD Set 2.1: A 69 THR OG1 : rot -78:sc= 1.34 USER MOD Set 2.2: A 117 LYS NZ :NH3+ -164:sc= 1.94 (180deg=0.901) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -3.04! C(o=-9.4!,f=-3.4!) USER MOD Set 3.2: A 157 ASN : amide:sc= -0.319 K(o=-3.4,f=-8.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.341 (180deg=-0.786!) USER MOD Single : A 2 SER OG : rot 80:sc= 1.1 USER MOD Single : A 3 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 4 SER OG : rot -158:sc= 0.415 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0.315 (180deg=-0.642) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.935 K(o=0.94,f=-5.1!) USER MOD Single : A 20 LYS NZ :NH3+ -122:sc= -8.95! (180deg=-10.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 1:sc= 1.2 USER MOD Single : A 26 GLN : amide:sc=-0.00591 K(o=-0.0059,f=-1) USER MOD Single : A 28 SER OG : rot 165:sc= 2.06 USER MOD Single : A 33 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.0068) USER MOD Single : A 35 THR OG1 : rot 180:sc=0.000475 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -156:sc= 0.464 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 0.479 (180deg=0.106) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.649 F(o=-1.3,f=-0.65) USER MOD Single : A 73 HIS :FLIP no HE2:sc= -0.228 F(o=-1.2,f=-0.23) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.34! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 82 SER OG : rot -121:sc= 1.24 USER MOD Single : A 85 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.6!) USER MOD Single : A 88 ASN : amide:sc= 0.67 K(o=0.67,f=-0.32) USER MOD Single : A 96 ASN : amide:sc= -3.56! C(o=-3.6!,f=-9.4!) USER MOD Single : A 105 SER OG : rot 67:sc= 0.949 USER MOD Single : A 111 CYS SG : rot 162:sc= -14.7! USER MOD Single : A 114 SER OG : rot 71:sc= -0.0582 USER MOD Single : A 119 MET CE :methyl -148:sc= -4.54 (180deg=-10.3!) USER MOD Single : A 120 GLN : amide:sc= 0.227! C(o=0.23!,f=-4.8!) USER MOD Single : A 124 SER OG : rot 180:sc= -1.95! USER MOD Single : A 130 MET CE :methyl 172:sc= -3.37! (180deg=-3.86!) USER MOD Single : A 132 THR OG1 : rot 83:sc= 0.107 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.0686 K(o=-0.069,f=-0.66) USER MOD Single : A 145 ASN : amide:sc= 1.05 K(o=1,f=-0.49) USER MOD Single : A 150 THR OG1 : rot -130:sc= -0.0176 USER MOD Single : A 155 TYR OH : rot 44:sc= 1.28 USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 173 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.0083) USER MOD Single : A 174 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 177 HIS : no HE2:sc= 0.00709 X(o=0.0071,f=-0.17) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=-0.00036) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1016 ASN : amide:sc= -0.567 K(o=-0.57,f=-6.1!) USER MOD Single : B1100 33B O62 : rot -40:sc= -5.14! USER MOD Single : B1100 33B O72 : rot 72:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.458 6.556 16.390 1.00 4.13 N ATOM 2 CA MET A 1 -1.421 7.592 15.951 1.00 3.61 C ATOM 3 C MET A 1 -0.846 8.396 14.790 1.00 2.48 C ATOM 4 O MET A 1 -1.141 9.582 14.633 1.00 2.89 O ATOM 5 CB MET A 1 -1.778 8.530 17.119 1.00 4.18 C ATOM 6 CG MET A 1 -0.598 9.310 17.689 1.00 4.89 C ATOM 7 SD MET A 1 0.577 8.271 18.581 1.00 5.86 S ATOM 8 CE MET A 1 1.826 9.477 19.027 1.00 6.21 C ATOM 0 H1 MET A 1 -0.842 5.613 16.178 1.00 4.13 H new ATOM 0 H2 MET A 1 0.443 6.684 15.887 1.00 4.13 H new ATOM 0 H3 MET A 1 -0.298 6.642 17.414 1.00 4.13 H new ATOM 0 HA MET A 1 -2.330 7.093 15.616 1.00 3.61 H new ATOM 0 HB2 MET A 1 -2.535 9.237 16.781 1.00 4.18 H new ATOM 0 HB3 MET A 1 -2.227 7.940 17.918 1.00 4.18 H new ATOM 0 HG2 MET A 1 -0.080 9.818 16.876 1.00 4.89 H new ATOM 0 HG3 MET A 1 -0.972 10.083 18.360 1.00 4.89 H new ATOM 0 HE1 MET A 1 2.623 8.986 19.586 1.00 6.21 H new ATOM 0 HE2 MET A 1 2.239 9.924 18.123 1.00 6.21 H new ATOM 0 HE3 MET A 1 1.377 10.255 19.644 1.00 6.21 H new ATOM 20 N SER A 2 -0.044 7.739 13.961 1.00 1.64 N ATOM 21 CA SER A 2 0.619 8.402 12.852 1.00 0.95 C ATOM 22 C SER A 2 -0.388 8.807 11.780 1.00 0.84 C ATOM 23 O SER A 2 -1.013 7.952 11.146 1.00 1.03 O ATOM 24 CB SER A 2 1.672 7.472 12.247 1.00 1.55 C ATOM 25 OG SER A 2 2.460 6.869 13.261 1.00 1.87 O ATOM 0 H SER A 2 0.162 6.743 14.039 1.00 1.64 H new ATOM 0 HA SER A 2 1.102 9.303 13.229 1.00 0.95 H new ATOM 0 HB2 SER A 2 1.182 6.699 11.654 1.00 1.55 H new ATOM 0 HB3 SER A 2 2.314 8.035 11.569 1.00 1.55 H new ATOM 0 HG SER A 2 1.967 6.120 13.656 1.00 1.87 H new ATOM 31 N GLN A 3 -0.546 10.110 11.582 1.00 0.73 N ATOM 32 CA GLN A 3 -1.406 10.622 10.523 1.00 0.73 C ATOM 33 C GLN A 3 -0.865 10.221 9.157 1.00 0.61 C ATOM 34 O GLN A 3 -1.592 10.198 8.170 1.00 0.64 O ATOM 35 CB GLN A 3 -1.526 12.141 10.608 1.00 0.83 C ATOM 36 CG GLN A 3 -2.417 12.613 11.741 1.00 1.13 C ATOM 37 CD GLN A 3 -3.872 12.232 11.544 1.00 1.76 C ATOM 38 OE1 GLN A 3 -4.346 12.077 10.417 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.596 12.093 12.641 1.00 2.22 N ATOM 0 H GLN A 3 -0.090 10.831 12.141 1.00 0.73 H new ATOM 0 HA GLN A 3 -2.397 10.187 10.654 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.532 12.570 10.735 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.919 12.520 9.665 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.059 12.189 12.679 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.339 13.696 11.831 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.167 12.230 13.556 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.584 11.849 12.572 1.00 2.22 H new ATOM 48 N SER A 4 0.413 9.882 9.125 1.00 0.55 N ATOM 49 CA SER A 4 1.093 9.506 7.899 1.00 0.52 C ATOM 50 C SER A 4 0.507 8.233 7.285 1.00 0.45 C ATOM 51 O SER A 4 0.624 8.013 6.078 1.00 0.46 O ATOM 52 CB SER A 4 2.579 9.327 8.200 1.00 0.61 C ATOM 53 OG SER A 4 2.755 8.689 9.458 1.00 1.25 O ATOM 0 H SER A 4 1.009 9.860 9.952 1.00 0.55 H new ATOM 0 HA SER A 4 0.953 10.298 7.164 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.047 8.733 7.415 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.075 10.297 8.204 1.00 0.61 H new ATOM 0 HG SER A 4 3.650 8.889 9.804 1.00 1.25 H new ATOM 59 N ASN A 5 -0.137 7.409 8.111 1.00 0.43 N ATOM 60 CA ASN A 5 -0.791 6.197 7.616 1.00 0.39 C ATOM 61 C ASN A 5 -1.901 6.570 6.646 1.00 0.35 C ATOM 62 O ASN A 5 -2.240 5.810 5.739 1.00 0.35 O ATOM 63 CB ASN A 5 -1.386 5.370 8.758 1.00 0.40 C ATOM 64 CG ASN A 5 -0.372 4.953 9.802 1.00 0.80 C ATOM 65 OD1 ASN A 5 0.798 4.738 9.505 1.00 1.78 O ATOM 66 ND2 ASN A 5 -0.825 4.832 11.039 1.00 0.53 N ATOM 0 H ASN A 5 -0.220 7.556 9.117 1.00 0.43 H new ATOM 0 HA ASN A 5 -0.034 5.596 7.113 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -2.174 5.948 9.241 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -1.854 4.478 8.343 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -0.193 4.550 11.788 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.806 5.020 11.243 1.00 0.53 H new ATOM 73 N ARG A 6 -2.458 7.757 6.853 1.00 0.35 N ATOM 74 CA ARG A 6 -3.498 8.286 5.989 1.00 0.34 C ATOM 75 C ARG A 6 -2.978 8.430 4.569 1.00 0.31 C ATOM 76 O ARG A 6 -3.615 7.991 3.617 1.00 0.30 O ATOM 77 CB ARG A 6 -3.970 9.643 6.515 1.00 0.41 C ATOM 78 CG ARG A 6 -5.011 10.314 5.638 1.00 0.59 C ATOM 79 CD ARG A 6 -6.197 9.398 5.392 1.00 0.41 C ATOM 80 NE ARG A 6 -6.921 9.089 6.627 1.00 0.68 N ATOM 81 CZ ARG A 6 -8.215 9.345 6.821 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.928 9.931 5.870 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.789 9.015 7.970 1.00 0.93 N ATOM 0 H ARG A 6 -2.201 8.375 7.622 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.340 7.593 5.984 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.383 9.510 7.515 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -3.109 10.304 6.610 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -5.352 11.234 6.113 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.561 10.594 4.685 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.877 9.869 4.682 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.850 8.472 4.934 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.402 8.650 7.387 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -8.487 10.187 4.987 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -9.918 10.126 6.021 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.241 8.566 8.704 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.779 9.210 8.120 1.00 0.93 H new ATOM 97 N GLU A 7 -1.811 9.038 4.452 1.00 0.30 N ATOM 98 CA GLU A 7 -1.180 9.279 3.164 1.00 0.29 C ATOM 99 C GLU A 7 -0.988 7.983 2.395 1.00 0.25 C ATOM 100 O GLU A 7 -1.355 7.888 1.228 1.00 0.26 O ATOM 101 CB GLU A 7 0.178 9.923 3.373 1.00 0.31 C ATOM 102 CG GLU A 7 0.131 11.203 4.169 1.00 0.40 C ATOM 103 CD GLU A 7 1.514 11.709 4.476 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.278 11.940 3.523 1.00 0.68 O ATOM 105 OE2 GLU A 7 1.865 11.831 5.666 1.00 0.53 O ATOM 0 H GLU A 7 -1.272 9.380 5.248 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.832 9.938 2.590 1.00 0.29 H new ATOM 0 HB2 GLU A 7 0.831 9.214 3.882 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.626 10.128 2.401 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.420 11.960 3.611 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.412 11.035 5.099 1.00 0.40 H new ATOM 112 N LEU A 8 -0.382 7.005 3.062 1.00 0.26 N ATOM 113 CA LEU A 8 -0.159 5.684 2.511 1.00 0.27 C ATOM 114 C LEU A 8 -1.430 5.141 1.868 1.00 0.28 C ATOM 115 O LEU A 8 -1.397 4.563 0.783 1.00 0.40 O ATOM 116 CB LEU A 8 0.287 4.766 3.644 1.00 0.34 C ATOM 117 CG LEU A 8 1.695 5.000 4.220 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.290 6.365 3.867 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.679 4.802 5.728 1.00 1.16 C ATOM 0 H LEU A 8 -0.030 7.115 4.013 1.00 0.26 H new ATOM 0 HA LEU A 8 0.607 5.735 1.738 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.432 4.859 4.458 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.234 3.737 3.287 1.00 0.34 H new ATOM 0 HG LEU A 8 2.345 4.261 3.752 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.283 6.454 4.309 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.365 6.460 2.784 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.647 7.154 4.257 1.00 1.00 H new ATOM 0 HD21 LEU A 8 2.679 4.969 6.128 1.00 1.16 H new ATOM 0 HD22 LEU A 8 0.984 5.510 6.181 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.362 3.785 5.958 1.00 1.16 H new ATOM 131 N VAL A 9 -2.545 5.345 2.551 1.00 0.23 N ATOM 132 CA VAL A 9 -3.843 4.958 2.034 1.00 0.23 C ATOM 133 C VAL A 9 -4.221 5.839 0.845 1.00 0.23 C ATOM 134 O VAL A 9 -4.349 5.363 -0.282 1.00 0.24 O ATOM 135 CB VAL A 9 -4.916 5.073 3.136 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.304 4.863 2.569 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.647 4.075 4.248 1.00 0.27 C ATOM 0 H VAL A 9 -2.574 5.781 3.473 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.789 3.921 1.703 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.865 6.081 3.549 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.040 4.950 3.368 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.504 5.617 1.808 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.368 3.871 2.122 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.414 4.171 5.016 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.665 3.064 3.842 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.668 4.273 4.686 1.00 0.27 H new ATOM 147 N VAL A 10 -4.377 7.127 1.118 1.00 0.23 N ATOM 148 CA VAL A 10 -4.815 8.111 0.126 1.00 0.25 C ATOM 149 C VAL A 10 -4.029 8.031 -1.180 1.00 0.25 C ATOM 150 O VAL A 10 -4.623 7.910 -2.254 1.00 0.27 O ATOM 151 CB VAL A 10 -4.689 9.530 0.703 1.00 0.28 C ATOM 152 CG1 VAL A 10 -5.097 10.578 -0.313 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.533 9.642 1.949 1.00 0.32 C ATOM 0 H VAL A 10 -4.203 7.526 2.040 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.855 7.880 -0.103 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.644 9.711 0.956 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.996 11.570 0.127 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.455 10.503 -1.191 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.134 10.415 -0.607 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.444 10.648 2.359 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.575 9.441 1.702 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.190 8.918 2.687 1.00 0.32 H new ATOM 163 N ASP A 11 -2.706 8.099 -1.086 1.00 0.26 N ATOM 164 CA ASP A 11 -1.851 8.105 -2.269 1.00 0.28 C ATOM 165 C ASP A 11 -2.092 6.860 -3.110 1.00 0.31 C ATOM 166 O ASP A 11 -2.058 6.909 -4.341 1.00 0.35 O ATOM 167 CB ASP A 11 -0.372 8.194 -1.870 1.00 0.32 C ATOM 168 CG ASP A 11 0.556 8.293 -3.068 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.340 9.181 -3.923 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.523 7.506 -3.152 1.00 0.49 O ATOM 0 H ASP A 11 -2.201 8.151 -0.202 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.103 8.983 -2.864 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.225 9.064 -1.229 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.106 7.316 -1.282 1.00 0.32 H new ATOM 175 N PHE A 12 -2.386 5.752 -2.442 1.00 0.32 N ATOM 176 CA PHE A 12 -2.621 4.505 -3.138 1.00 0.38 C ATOM 177 C PHE A 12 -4.000 4.505 -3.793 1.00 0.34 C ATOM 178 O PHE A 12 -4.125 4.143 -4.964 1.00 0.39 O ATOM 179 CB PHE A 12 -2.484 3.311 -2.196 1.00 0.46 C ATOM 180 CG PHE A 12 -2.079 2.055 -2.912 1.00 0.76 C ATOM 181 CD1 PHE A 12 -2.961 1.411 -3.764 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.809 1.530 -2.749 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.582 0.268 -4.438 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.430 0.384 -3.417 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.316 -0.247 -4.264 1.00 1.61 C ATOM 0 H PHE A 12 -2.466 5.696 -1.427 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.863 4.412 -3.916 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.746 3.541 -1.428 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.433 3.144 -1.686 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -3.956 1.808 -3.902 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.107 2.023 -2.092 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.278 -0.223 -5.102 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.562 -0.019 -3.276 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.019 -1.142 -4.790 1.00 1.61 H new ATOM 195 N LEU A 13 -5.036 4.921 -3.056 1.00 0.28 N ATOM 196 CA LEU A 13 -6.381 4.983 -3.624 1.00 0.28 C ATOM 197 C LEU A 13 -6.407 5.927 -4.821 1.00 0.30 C ATOM 198 O LEU A 13 -6.991 5.614 -5.860 1.00 0.34 O ATOM 199 CB LEU A 13 -7.416 5.428 -2.583 1.00 0.25 C ATOM 200 CG LEU A 13 -7.960 4.323 -1.671 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.005 4.014 -0.547 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.321 4.697 -1.111 1.00 0.27 C ATOM 0 H LEU A 13 -4.969 5.215 -2.081 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.646 3.978 -3.951 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.967 6.200 -1.959 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.255 5.888 -3.105 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.069 3.427 -2.282 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.423 3.226 0.080 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.052 3.682 -0.960 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.848 4.910 0.053 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.683 3.895 -0.468 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.236 5.616 -0.532 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.023 4.849 -1.931 1.00 0.27 H new ATOM 214 N SER A 14 -5.741 7.066 -4.677 1.00 0.29 N ATOM 215 CA SER A 14 -5.646 8.048 -5.750 1.00 0.33 C ATOM 216 C SER A 14 -4.967 7.437 -6.975 1.00 0.37 C ATOM 217 O SER A 14 -5.370 7.679 -8.115 1.00 0.42 O ATOM 218 CB SER A 14 -4.859 9.269 -5.264 1.00 0.33 C ATOM 219 OG SER A 14 -4.780 10.273 -6.261 1.00 1.05 O ATOM 0 H SER A 14 -5.255 7.334 -3.821 1.00 0.29 H new ATOM 0 HA SER A 14 -6.651 8.359 -6.033 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.335 9.678 -4.373 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.853 8.963 -4.976 1.00 0.33 H new ATOM 0 HG SER A 14 -4.273 11.037 -5.916 1.00 1.05 H new ATOM 225 N TYR A 15 -3.953 6.619 -6.724 1.00 0.37 N ATOM 226 CA TYR A 15 -3.191 5.981 -7.789 1.00 0.45 C ATOM 227 C TYR A 15 -4.024 4.899 -8.478 1.00 0.43 C ATOM 228 O TYR A 15 -3.719 4.480 -9.594 1.00 0.55 O ATOM 229 CB TYR A 15 -1.903 5.386 -7.213 1.00 0.52 C ATOM 230 CG TYR A 15 -0.930 4.877 -8.252 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.470 5.706 -9.266 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.465 3.569 -8.211 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.425 5.247 -10.213 1.00 0.89 C ATOM 234 CE2 TYR A 15 0.432 3.103 -9.151 1.00 1.06 C ATOM 235 CZ TYR A 15 0.873 3.944 -10.149 1.00 1.03 C ATOM 236 OH TYR A 15 1.772 3.484 -11.084 1.00 1.22 O ATOM 0 H TYR A 15 -3.638 6.381 -5.784 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.933 6.731 -8.537 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.406 6.144 -6.608 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.164 4.566 -6.544 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.818 6.727 -9.315 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -0.811 2.906 -7.432 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.771 5.903 -10.998 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.786 2.084 -9.104 1.00 1.06 H new ATOM 0 HH TYR A 15 1.987 2.546 -10.897 1.00 1.22 H new ATOM 246 N LYS A 16 -5.084 4.458 -7.814 1.00 0.33 N ATOM 247 CA LYS A 16 -5.945 3.416 -8.358 1.00 0.33 C ATOM 248 C LYS A 16 -6.976 4.018 -9.275 1.00 0.33 C ATOM 249 O LYS A 16 -7.214 3.532 -10.371 1.00 0.42 O ATOM 250 CB LYS A 16 -6.642 2.655 -7.238 1.00 0.34 C ATOM 251 CG LYS A 16 -5.702 1.868 -6.336 1.00 0.61 C ATOM 252 CD LYS A 16 -4.880 0.838 -7.103 1.00 0.57 C ATOM 253 CE LYS A 16 -3.587 1.435 -7.642 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.628 0.390 -8.078 1.00 1.41 N ATOM 0 H LYS A 16 -5.368 4.805 -6.898 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.322 2.721 -8.922 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.204 3.363 -6.628 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.366 1.968 -7.677 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.029 2.559 -5.827 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.283 1.363 -5.565 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.647 -0.002 -6.448 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.471 0.444 -7.930 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -3.814 2.091 -8.482 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.124 2.052 -6.872 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -1.814 0.374 -7.431 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -3.097 -0.538 -8.067 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -2.300 0.600 -9.042 1.00 1.41 H new ATOM 268 N LEU A 17 -7.583 5.080 -8.808 1.00 0.33 N ATOM 269 CA LEU A 17 -8.561 5.826 -9.580 1.00 0.32 C ATOM 270 C LEU A 17 -7.981 6.285 -10.910 1.00 0.35 C ATOM 271 O LEU A 17 -8.702 6.449 -11.899 1.00 0.36 O ATOM 272 CB LEU A 17 -9.021 6.989 -8.738 1.00 0.35 C ATOM 273 CG LEU A 17 -9.577 6.525 -7.405 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.540 7.625 -6.378 1.00 1.35 C ATOM 275 CD2 LEU A 17 -10.975 5.982 -7.596 1.00 1.15 C ATOM 0 H LEU A 17 -7.416 5.459 -7.876 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.412 5.191 -9.825 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.186 7.669 -8.568 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.785 7.550 -9.277 1.00 0.35 H new ATOM 0 HG LEU A 17 -8.945 5.723 -7.023 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -9.946 7.257 -5.436 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.510 7.948 -6.228 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.137 8.468 -6.726 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.371 5.650 -6.636 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -11.617 6.764 -8.002 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -10.947 5.140 -8.288 1.00 1.15 H new ATOM 287 N SER A 18 -6.675 6.451 -10.924 1.00 0.41 N ATOM 288 CA SER A 18 -5.951 6.808 -12.130 1.00 0.48 C ATOM 289 C SER A 18 -6.147 5.782 -13.261 1.00 0.51 C ATOM 290 O SER A 18 -6.223 6.167 -14.426 1.00 0.58 O ATOM 291 CB SER A 18 -4.459 6.960 -11.808 1.00 0.57 C ATOM 292 OG SER A 18 -3.725 7.401 -12.939 1.00 0.94 O ATOM 0 H SER A 18 -6.083 6.343 -10.100 1.00 0.41 H new ATOM 0 HA SER A 18 -6.355 7.756 -12.487 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.333 7.671 -10.991 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.061 6.005 -11.464 1.00 0.57 H new ATOM 0 HG SER A 18 -2.779 7.489 -12.701 1.00 0.94 H new ATOM 298 N GLN A 19 -6.261 4.486 -12.935 1.00 0.52 N ATOM 299 CA GLN A 19 -6.238 3.454 -13.974 1.00 0.57 C ATOM 300 C GLN A 19 -7.579 3.290 -14.680 1.00 0.51 C ATOM 301 O GLN A 19 -7.686 2.567 -15.671 1.00 0.59 O ATOM 302 CB GLN A 19 -5.777 2.109 -13.419 1.00 0.68 C ATOM 303 CG GLN A 19 -6.690 1.545 -12.364 1.00 0.84 C ATOM 304 CD GLN A 19 -6.320 0.132 -11.958 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.780 -0.637 -12.751 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.620 -0.225 -10.724 1.00 1.19 N ATOM 0 H GLN A 19 -6.367 4.136 -11.983 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.517 3.799 -14.715 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.699 1.395 -14.239 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.778 2.222 -12.999 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.663 2.189 -11.485 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.715 1.555 -12.735 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.068 0.441 -10.095 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.404 -1.167 -10.399 1.00 1.19 H new ATOM 315 N LYS A 20 -8.592 3.955 -14.171 1.00 0.45 N ATOM 316 CA LYS A 20 -9.921 3.904 -14.777 1.00 0.49 C ATOM 317 C LYS A 20 -10.252 5.250 -15.359 1.00 0.48 C ATOM 318 O LYS A 20 -11.132 5.399 -16.204 1.00 0.53 O ATOM 319 CB LYS A 20 -10.982 3.529 -13.765 1.00 0.57 C ATOM 320 CG LYS A 20 -10.458 2.769 -12.569 1.00 0.49 C ATOM 321 CD LYS A 20 -10.032 3.721 -11.508 1.00 1.20 C ATOM 322 CE LYS A 20 -11.160 4.682 -11.204 1.00 1.75 C ATOM 323 NZ LYS A 20 -12.360 4.016 -10.642 1.00 2.20 N ATOM 0 H LYS A 20 -8.530 4.541 -13.338 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.908 3.141 -15.555 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.473 4.438 -13.417 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.743 2.925 -14.260 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -11.231 2.104 -12.183 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -9.617 2.142 -12.866 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.753 3.175 -10.607 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.149 4.272 -11.833 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -10.807 5.435 -10.499 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.438 5.206 -12.118 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -13.182 4.211 -11.249 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -12.198 2.990 -10.597 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -12.543 4.380 -9.685 1.00 2.20 H new ATOM 337 N GLY A 21 -9.540 6.225 -14.862 1.00 0.45 N ATOM 338 CA GLY A 21 -9.630 7.565 -15.390 1.00 0.49 C ATOM 339 C GLY A 21 -10.446 8.481 -14.517 1.00 0.47 C ATOM 340 O GLY A 21 -11.064 9.432 -14.996 1.00 0.53 O ATOM 0 H GLY A 21 -8.886 6.118 -14.087 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.626 7.975 -15.501 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.072 7.530 -16.386 1.00 0.49 H new ATOM 344 N TYR A 22 -10.462 8.184 -13.232 1.00 0.40 N ATOM 345 CA TYR A 22 -11.083 9.072 -12.258 1.00 0.37 C ATOM 346 C TYR A 22 -10.031 9.727 -11.375 1.00 0.36 C ATOM 347 O TYR A 22 -8.877 9.303 -11.353 1.00 0.38 O ATOM 348 CB TYR A 22 -12.078 8.316 -11.388 1.00 0.34 C ATOM 349 CG TYR A 22 -13.316 7.864 -12.133 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.299 6.725 -12.926 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.501 8.585 -12.048 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.426 6.317 -13.614 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.630 8.185 -12.733 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.591 7.015 -13.487 1.00 0.62 C ATOM 355 OH TYR A 22 -16.709 6.657 -14.205 1.00 0.76 O ATOM 0 H TYR A 22 -10.054 7.338 -12.835 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.615 9.846 -12.812 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.584 7.444 -10.960 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.378 8.953 -10.556 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.390 6.148 -13.007 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.539 9.474 -11.435 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.384 5.446 -14.252 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.534 8.773 -12.685 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.446 7.265 -13.987 1.00 0.76 H new ATOM 365 N SER A 23 -10.433 10.755 -10.648 1.00 0.37 N ATOM 366 CA SER A 23 -9.525 11.466 -9.766 1.00 0.39 C ATOM 367 C SER A 23 -9.882 11.206 -8.309 1.00 0.35 C ATOM 368 O SER A 23 -11.029 10.893 -7.989 1.00 0.34 O ATOM 369 CB SER A 23 -9.603 12.962 -10.045 1.00 0.45 C ATOM 370 OG SER A 23 -8.443 13.641 -9.596 1.00 0.52 O ATOM 0 H SER A 23 -11.387 11.117 -10.652 1.00 0.37 H new ATOM 0 HA SER A 23 -8.512 11.109 -9.951 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.729 13.126 -11.115 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.482 13.379 -9.553 1.00 0.45 H new ATOM 0 HG SER A 23 -8.527 14.597 -9.793 1.00 0.52 H new ATOM 376 N TRP A 24 -8.897 11.341 -7.435 1.00 0.37 N ATOM 377 CA TRP A 24 -9.123 11.236 -6.004 1.00 0.36 C ATOM 378 C TRP A 24 -9.858 12.470 -5.494 1.00 0.35 C ATOM 379 O TRP A 24 -10.927 12.368 -4.891 1.00 0.34 O ATOM 380 CB TRP A 24 -7.785 11.079 -5.273 1.00 0.45 C ATOM 381 CG TRP A 24 -7.901 11.116 -3.779 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.590 12.158 -2.953 1.00 0.96 C ATOM 383 CD2 TRP A 24 -8.363 10.062 -2.935 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.844 11.817 -1.646 1.00 0.61 N ATOM 385 CE2 TRP A 24 -8.314 10.534 -1.610 1.00 1.10 C ATOM 386 CE3 TRP A 24 -8.817 8.768 -3.169 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -8.704 9.753 -0.529 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -9.203 7.996 -2.095 1.00 3.36 C ATOM 389 CH2 TRP A 24 -9.145 8.491 -0.791 1.00 3.13 C ATOM 0 H TRP A 24 -7.928 11.525 -7.695 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.738 10.358 -5.808 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.329 10.134 -5.569 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.111 11.873 -5.595 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -7.201 13.111 -3.279 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.705 12.422 -0.836 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -8.866 8.376 -4.174 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -8.659 10.132 0.481 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -9.557 6.990 -2.265 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -9.457 7.860 0.028 1.00 3.13 H new ATOM 400 N SER A 25 -9.291 13.636 -5.778 1.00 0.39 N ATOM 401 CA SER A 25 -9.796 14.899 -5.254 1.00 0.44 C ATOM 402 C SER A 25 -11.217 15.186 -5.738 1.00 0.43 C ATOM 403 O SER A 25 -11.981 15.855 -5.051 1.00 0.49 O ATOM 404 CB SER A 25 -8.849 16.037 -5.652 1.00 0.53 C ATOM 405 OG SER A 25 -9.175 17.254 -5.000 1.00 1.37 O ATOM 0 H SER A 25 -8.471 13.733 -6.376 1.00 0.39 H new ATOM 0 HA SER A 25 -9.836 14.825 -4.167 1.00 0.44 H new ATOM 0 HB2 SER A 25 -7.824 15.758 -5.407 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.890 16.182 -6.732 1.00 0.53 H new ATOM 0 HG SER A 25 -9.942 17.112 -4.406 1.00 1.37 H new ATOM 411 N GLN A 26 -11.586 14.663 -6.907 1.00 0.40 N ATOM 412 CA GLN A 26 -12.938 14.866 -7.427 1.00 0.42 C ATOM 413 C GLN A 26 -14.003 14.325 -6.473 1.00 0.38 C ATOM 414 O GLN A 26 -15.141 14.797 -6.466 1.00 0.41 O ATOM 415 CB GLN A 26 -13.100 14.193 -8.786 1.00 0.47 C ATOM 416 CG GLN A 26 -12.384 14.906 -9.914 1.00 0.59 C ATOM 417 CD GLN A 26 -12.562 14.204 -11.243 1.00 0.73 C ATOM 418 OE1 GLN A 26 -12.725 12.981 -11.297 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.533 14.966 -12.322 1.00 1.10 N ATOM 0 H GLN A 26 -10.978 14.103 -7.505 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.078 15.942 -7.529 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.727 13.171 -8.721 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.162 14.130 -9.025 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.759 15.926 -9.992 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.321 14.974 -9.681 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.396 15.973 -12.232 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.648 14.548 -13.245 1.00 1.10 H new ATOM 428 N PHE A 27 -13.635 13.334 -5.673 1.00 0.35 N ATOM 429 CA PHE A 27 -14.597 12.644 -4.828 1.00 0.38 C ATOM 430 C PHE A 27 -14.249 12.763 -3.347 1.00 0.43 C ATOM 431 O PHE A 27 -15.049 12.407 -2.479 1.00 0.67 O ATOM 432 CB PHE A 27 -14.633 11.170 -5.228 1.00 0.43 C ATOM 433 CG PHE A 27 -14.906 10.960 -6.688 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.000 11.557 -7.291 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.073 10.162 -7.458 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.260 11.362 -8.632 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.329 9.964 -8.800 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.399 10.579 -9.394 1.00 1.28 C ATOM 0 H PHE A 27 -12.678 12.991 -5.592 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.572 13.109 -4.972 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.679 10.708 -4.973 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.400 10.661 -4.645 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.657 12.182 -6.705 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.215 9.690 -7.003 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.128 11.815 -9.088 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.684 9.323 -9.383 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.574 10.456 -10.453 1.00 1.28 H new ATOM 448 N SER A 28 -13.059 13.256 -3.060 1.00 0.39 N ATOM 449 CA SER A 28 -12.537 13.211 -1.707 1.00 0.42 C ATOM 450 C SER A 28 -12.643 14.537 -0.968 1.00 0.58 C ATOM 451 O SER A 28 -13.149 15.528 -1.489 1.00 1.01 O ATOM 452 CB SER A 28 -11.103 12.728 -1.740 1.00 0.62 C ATOM 453 OG SER A 28 -11.046 11.443 -2.324 1.00 1.81 O ATOM 0 H SER A 28 -12.438 13.691 -3.742 1.00 0.39 H new ATOM 0 HA SER A 28 -13.157 12.512 -1.146 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.488 13.424 -2.310 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.696 12.697 -0.729 1.00 0.62 H new ATOM 0 HG SER A 28 -10.118 11.231 -2.558 1.00 1.81 H new ATOM 459 N ASP A 29 -12.179 14.510 0.274 1.00 0.63 N ATOM 460 CA ASP A 29 -12.204 15.664 1.163 1.00 0.84 C ATOM 461 C ASP A 29 -11.125 15.523 2.232 1.00 0.88 C ATOM 462 O ASP A 29 -10.733 16.497 2.878 1.00 1.03 O ATOM 463 CB ASP A 29 -13.589 15.756 1.804 1.00 1.04 C ATOM 464 CG ASP A 29 -13.609 16.475 3.141 1.00 1.69 C ATOM 465 OD1 ASP A 29 -13.555 17.720 3.157 1.00 1.85 O ATOM 466 OD2 ASP A 29 -13.694 15.790 4.181 1.00 2.31 O ATOM 0 H ASP A 29 -11.770 13.677 0.697 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.004 16.575 0.599 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.261 16.270 1.117 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.982 14.748 1.940 1.00 1.04 H new ATOM 471 N VAL A 30 -10.606 14.304 2.333 1.00 0.80 N ATOM 472 CA VAL A 30 -9.721 13.886 3.415 1.00 0.82 C ATOM 473 C VAL A 30 -8.535 14.837 3.612 1.00 0.82 C ATOM 474 O VAL A 30 -8.477 15.575 4.590 1.00 0.92 O ATOM 475 CB VAL A 30 -9.220 12.445 3.140 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.342 11.451 3.341 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.690 12.304 1.722 1.00 0.76 C ATOM 0 H VAL A 30 -10.792 13.566 1.654 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.295 13.913 4.341 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.411 12.242 3.842 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.975 10.444 3.144 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.702 11.512 4.368 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.158 11.680 2.656 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.347 11.282 1.562 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.484 12.536 1.012 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.859 12.993 1.574 1.00 0.76 H new ATOM 487 N GLU A 31 -7.599 14.817 2.685 1.00 0.78 N ATOM 488 CA GLU A 31 -6.452 15.691 2.721 1.00 0.83 C ATOM 489 C GLU A 31 -6.675 16.866 1.785 1.00 0.88 C ATOM 490 O GLU A 31 -5.814 17.733 1.622 1.00 0.98 O ATOM 491 CB GLU A 31 -5.191 14.905 2.350 1.00 0.93 C ATOM 492 CG GLU A 31 -5.391 13.846 1.269 1.00 1.05 C ATOM 493 CD GLU A 31 -5.944 14.396 -0.030 1.00 2.05 C ATOM 494 OE1 GLU A 31 -5.159 14.967 -0.816 1.00 2.46 O ATOM 495 OE2 GLU A 31 -7.162 14.260 -0.267 1.00 2.74 O ATOM 0 H GLU A 31 -7.616 14.189 1.882 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.317 16.085 3.728 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -4.428 15.607 2.014 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.805 14.420 3.247 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -4.437 13.359 1.070 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -6.068 13.079 1.645 1.00 1.05 H new ATOM 502 N GLU A 32 -7.848 16.866 1.165 1.00 0.87 N ATOM 503 CA GLU A 32 -8.219 17.890 0.214 1.00 0.98 C ATOM 504 C GLU A 32 -8.390 19.239 0.898 1.00 1.09 C ATOM 505 O GLU A 32 -7.741 20.222 0.535 1.00 1.24 O ATOM 506 CB GLU A 32 -9.514 17.502 -0.503 1.00 0.98 C ATOM 507 CG GLU A 32 -10.113 18.646 -1.305 1.00 1.12 C ATOM 508 CD GLU A 32 -11.281 18.227 -2.163 1.00 1.20 C ATOM 509 OE1 GLU A 32 -11.050 17.673 -3.257 1.00 1.45 O ATOM 510 OE2 GLU A 32 -12.432 18.431 -1.735 1.00 1.17 O ATOM 0 H GLU A 32 -8.564 16.154 1.311 1.00 0.87 H new ATOM 0 HA GLU A 32 -7.415 17.976 -0.517 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.317 16.662 -1.169 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.242 17.161 0.233 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -10.437 19.430 -0.620 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -9.340 19.078 -1.941 1.00 1.12 H new ATOM 517 N ASN A 33 -9.254 19.274 1.898 1.00 1.09 N ATOM 518 CA ASN A 33 -9.632 20.525 2.526 1.00 1.27 C ATOM 519 C ASN A 33 -8.850 20.764 3.809 1.00 1.32 C ATOM 520 O ASN A 33 -8.241 21.817 3.983 1.00 1.68 O ATOM 521 CB ASN A 33 -11.136 20.530 2.803 1.00 1.36 C ATOM 522 CG ASN A 33 -11.959 20.518 1.527 1.00 1.48 C ATOM 523 OD1 ASN A 33 -12.250 21.566 0.949 1.00 1.87 O ATOM 524 ND2 ASN A 33 -12.353 19.333 1.087 1.00 1.35 N ATOM 0 H ASN A 33 -9.706 18.449 2.292 1.00 1.09 H new ATOM 0 HA ASN A 33 -9.390 21.338 1.842 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -11.394 19.660 3.407 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -11.392 21.413 3.389 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -12.918 19.265 0.241 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -12.091 18.488 1.594 1.00 1.35 H new ATOM 531 N ARG A 34 -8.849 19.780 4.695 1.00 1.22 N ATOM 532 CA ARG A 34 -8.200 19.927 5.991 1.00 1.29 C ATOM 533 C ARG A 34 -6.761 19.424 5.948 1.00 1.17 C ATOM 534 O ARG A 34 -6.380 18.661 5.054 1.00 1.24 O ATOM 535 CB ARG A 34 -8.987 19.170 7.062 1.00 1.50 C ATOM 536 CG ARG A 34 -9.071 17.678 6.803 1.00 1.52 C ATOM 537 CD ARG A 34 -10.015 16.992 7.771 1.00 1.91 C ATOM 538 NE ARG A 34 -10.126 15.562 7.496 1.00 2.18 N ATOM 539 CZ ARG A 34 -11.135 15.014 6.823 1.00 2.65 C ATOM 540 NH1 ARG A 34 -12.061 15.790 6.273 1.00 2.89 N ATOM 541 NH2 ARG A 34 -11.200 13.696 6.676 1.00 3.39 N ATOM 0 H ARG A 34 -9.289 18.873 4.542 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.181 20.988 6.240 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -8.520 19.337 8.032 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -9.996 19.579 7.119 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -9.409 17.505 5.781 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -8.078 17.237 6.890 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -9.661 17.140 8.791 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -11.001 17.453 7.706 1.00 1.91 H new ATOM 0 HE ARG A 34 -9.388 14.948 7.840 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -11.998 16.804 6.367 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -12.835 15.373 5.757 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -10.476 13.102 7.079 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -11.974 13.278 6.160 1.00 3.39 H new ATOM 555 N THR A 35 -5.967 19.852 6.916 1.00 1.31 N ATOM 556 CA THR A 35 -4.580 19.436 7.007 1.00 1.39 C ATOM 557 C THR A 35 -4.343 18.573 8.236 1.00 1.34 C ATOM 558 O THR A 35 -4.471 19.025 9.374 1.00 1.55 O ATOM 559 CB THR A 35 -3.636 20.645 7.041 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.238 21.717 7.778 1.00 2.05 O ATOM 561 CG2 THR A 35 -3.299 21.109 5.636 1.00 2.25 C ATOM 0 H THR A 35 -6.263 20.491 7.653 1.00 1.31 H new ATOM 0 HA THR A 35 -4.365 18.847 6.115 1.00 1.39 H new ATOM 0 HB THR A 35 -2.712 20.343 7.534 1.00 1.82 H new ATOM 0 HG1 THR A 35 -3.628 22.484 7.796 1.00 2.05 H new ATOM 0 HG21 THR A 35 -2.629 21.967 5.687 1.00 2.25 H new ATOM 0 HG22 THR A 35 -2.812 20.300 5.093 1.00 2.25 H new ATOM 0 HG23 THR A 35 -4.214 21.394 5.118 1.00 2.25 H new ATOM 569 N GLU A 36 -4.015 17.322 7.987 1.00 1.44 N ATOM 570 CA GLU A 36 -3.775 16.360 9.046 1.00 1.68 C ATOM 571 C GLU A 36 -2.376 15.786 8.913 1.00 1.43 C ATOM 572 O GLU A 36 -1.506 16.018 9.754 1.00 1.46 O ATOM 573 CB GLU A 36 -4.811 15.241 8.973 1.00 2.17 C ATOM 574 CG GLU A 36 -6.236 15.727 9.174 1.00 2.49 C ATOM 575 CD GLU A 36 -7.250 14.607 9.091 1.00 2.96 C ATOM 576 OE1 GLU A 36 -7.733 14.318 7.978 1.00 3.34 O ATOM 577 OE2 GLU A 36 -7.570 14.007 10.135 1.00 3.30 O ATOM 0 H GLU A 36 -3.907 16.942 7.046 1.00 1.44 H new ATOM 0 HA GLU A 36 -3.861 16.859 10.011 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -4.736 14.749 8.003 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -4.580 14.492 9.730 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -6.316 16.213 10.146 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -6.469 16.480 8.421 1.00 2.49 H new ATOM 584 N ALA A 37 -2.173 15.042 7.844 1.00 1.50 N ATOM 585 CA ALA A 37 -0.870 14.488 7.527 1.00 1.39 C ATOM 586 C ALA A 37 -0.152 15.364 6.506 1.00 1.27 C ATOM 587 O ALA A 37 -0.800 16.020 5.688 1.00 1.58 O ATOM 588 CB ALA A 37 -1.025 13.075 6.991 1.00 1.92 C ATOM 0 H ALA A 37 -2.903 14.805 7.172 1.00 1.50 H new ATOM 0 HA ALA A 37 -0.271 14.458 8.437 1.00 1.39 H new ATOM 0 HB1 ALA A 37 -0.043 12.666 6.755 1.00 1.92 H new ATOM 0 HB2 ALA A 37 -1.507 12.451 7.744 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -1.637 13.093 6.089 1.00 1.92 H new ATOM 594 N PRO A 38 1.189 15.414 6.566 1.00 1.10 N ATOM 595 CA PRO A 38 2.011 16.133 5.582 1.00 1.43 C ATOM 596 C PRO A 38 1.855 15.564 4.170 1.00 1.79 C ATOM 597 O PRO A 38 1.050 14.663 3.934 1.00 1.87 O ATOM 598 CB PRO A 38 3.451 15.940 6.104 1.00 1.34 C ATOM 599 CG PRO A 38 3.286 15.585 7.537 1.00 1.26 C ATOM 600 CD PRO A 38 2.014 14.801 7.616 1.00 1.01 C ATOM 0 HA PRO A 38 1.722 17.180 5.492 1.00 1.43 H new ATOM 0 HB2 PRO A 38 3.968 15.152 5.557 1.00 1.34 H new ATOM 0 HB3 PRO A 38 4.041 16.849 5.986 1.00 1.34 H new ATOM 0 HG2 PRO A 38 4.131 14.997 7.894 1.00 1.26 H new ATOM 0 HG3 PRO A 38 3.234 16.479 8.158 1.00 1.26 H new ATOM 0 HD2 PRO A 38 2.181 13.740 7.432 1.00 1.01 H new ATOM 0 HD3 PRO A 38 1.547 14.885 8.598 1.00 1.01 H new ATOM 608 N GLU A 39 2.607 16.106 3.225 1.00 2.28 N ATOM 609 CA GLU A 39 2.581 15.607 1.855 1.00 2.76 C ATOM 610 C GLU A 39 3.469 14.373 1.720 1.00 2.66 C ATOM 611 O GLU A 39 3.516 13.725 0.672 1.00 3.08 O ATOM 612 CB GLU A 39 3.025 16.699 0.881 1.00 3.38 C ATOM 613 CG GLU A 39 4.385 17.294 1.203 1.00 3.52 C ATOM 614 CD GLU A 39 4.783 18.376 0.225 1.00 4.22 C ATOM 615 OE1 GLU A 39 4.386 19.542 0.431 1.00 4.44 O ATOM 616 OE2 GLU A 39 5.484 18.065 -0.758 1.00 4.64 O ATOM 0 H GLU A 39 3.242 16.889 3.379 1.00 2.28 H new ATOM 0 HA GLU A 39 1.558 15.322 1.609 1.00 2.76 H new ATOM 0 HB2 GLU A 39 3.050 16.285 -0.127 1.00 3.38 H new ATOM 0 HB3 GLU A 39 2.281 17.496 0.880 1.00 3.38 H new ATOM 0 HG2 GLU A 39 4.369 17.707 2.212 1.00 3.52 H new ATOM 0 HG3 GLU A 39 5.136 16.504 1.194 1.00 3.52 H new ATOM 623 N GLY A 40 4.155 14.050 2.800 1.00 2.15 N ATOM 624 CA GLY A 40 5.037 12.910 2.815 1.00 2.04 C ATOM 625 C GLY A 40 6.126 13.078 3.843 1.00 1.57 C ATOM 626 O GLY A 40 7.290 13.261 3.489 1.00 1.75 O ATOM 0 H GLY A 40 4.115 14.566 3.679 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.465 12.007 3.031 1.00 2.04 H new ATOM 0 HA3 GLY A 40 5.481 12.778 1.829 1.00 2.04 H new ATOM 630 N THR A 41 5.752 13.023 5.118 1.00 1.12 N ATOM 631 CA THR A 41 6.714 13.246 6.186 1.00 0.86 C ATOM 632 C THR A 41 7.712 12.075 6.265 1.00 0.75 C ATOM 633 O THR A 41 8.855 12.186 5.816 1.00 0.85 O ATOM 634 CB THR A 41 5.989 13.440 7.545 1.00 0.80 C ATOM 635 OG1 THR A 41 6.904 13.277 8.632 1.00 0.95 O ATOM 636 CG2 THR A 41 4.820 12.475 7.705 1.00 0.91 C ATOM 0 H THR A 41 4.801 12.828 5.432 1.00 1.12 H new ATOM 0 HA THR A 41 7.269 14.157 5.964 1.00 0.86 H new ATOM 0 HB THR A 41 5.593 14.456 7.557 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.430 13.404 9.480 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.339 12.643 8.669 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.098 12.642 6.905 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.186 11.449 7.656 1.00 0.91 H new ATOM 644 N GLU A 42 7.269 10.956 6.824 1.00 0.69 N ATOM 645 CA GLU A 42 7.978 9.686 6.717 1.00 0.66 C ATOM 646 C GLU A 42 7.409 8.934 5.535 1.00 0.54 C ATOM 647 O GLU A 42 8.067 8.140 4.861 1.00 0.56 O ATOM 648 CB GLU A 42 7.767 8.860 7.986 1.00 0.74 C ATOM 649 CG GLU A 42 6.329 8.372 8.176 1.00 0.65 C ATOM 650 CD GLU A 42 6.091 7.788 9.550 1.00 1.20 C ATOM 651 OE1 GLU A 42 6.757 6.796 9.902 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.245 8.329 10.293 1.00 1.17 O ATOM 0 H GLU A 42 6.406 10.903 7.366 1.00 0.69 H new ATOM 0 HA GLU A 42 9.045 9.864 6.587 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.433 7.997 7.961 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.054 9.459 8.850 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.643 9.203 8.015 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.102 7.620 7.421 1.00 0.65 H new ATOM 659 N SER A 43 6.162 9.262 5.308 1.00 0.48 N ATOM 660 CA SER A 43 5.267 8.555 4.432 1.00 0.43 C ATOM 661 C SER A 43 5.649 8.632 2.973 1.00 0.43 C ATOM 662 O SER A 43 5.205 7.815 2.188 1.00 0.49 O ATOM 663 CB SER A 43 3.912 9.169 4.637 1.00 0.50 C ATOM 664 OG SER A 43 4.069 10.483 5.150 1.00 1.25 O ATOM 0 H SER A 43 5.724 10.069 5.752 1.00 0.48 H new ATOM 0 HA SER A 43 5.297 7.494 4.678 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.365 9.196 3.694 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.326 8.563 5.328 1.00 0.50 H new ATOM 0 HG SER A 43 3.258 10.744 5.634 1.00 1.25 H new ATOM 670 N GLU A 44 6.435 9.618 2.609 1.00 0.46 N ATOM 671 CA GLU A 44 6.840 9.779 1.218 1.00 0.52 C ATOM 672 C GLU A 44 7.490 8.502 0.685 1.00 0.51 C ATOM 673 O GLU A 44 6.989 7.894 -0.253 1.00 0.58 O ATOM 674 CB GLU A 44 7.791 10.960 1.066 1.00 0.61 C ATOM 675 CG GLU A 44 8.362 11.102 -0.331 1.00 0.72 C ATOM 676 CD GLU A 44 9.350 12.236 -0.436 1.00 1.17 C ATOM 677 OE1 GLU A 44 10.550 12.010 -0.174 1.00 1.91 O ATOM 678 OE2 GLU A 44 8.931 13.358 -0.775 1.00 1.29 O ATOM 0 H GLU A 44 6.809 10.321 3.247 1.00 0.46 H new ATOM 0 HA GLU A 44 5.944 9.977 0.630 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.264 11.877 1.329 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.611 10.849 1.775 1.00 0.61 H new ATOM 0 HG2 GLU A 44 8.850 10.171 -0.617 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.549 11.266 -1.038 1.00 0.72 H new ATOM 685 N ALA A 45 8.579 8.083 1.312 1.00 0.48 N ATOM 686 CA ALA A 45 9.278 6.867 0.906 1.00 0.48 C ATOM 687 C ALA A 45 8.386 5.657 1.123 1.00 0.41 C ATOM 688 O ALA A 45 8.385 4.716 0.332 1.00 0.41 O ATOM 689 CB ALA A 45 10.576 6.720 1.683 1.00 0.52 C ATOM 0 H ALA A 45 9.000 8.566 2.105 1.00 0.48 H new ATOM 0 HA ALA A 45 9.519 6.936 -0.155 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.086 5.809 1.370 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.216 7.580 1.488 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.357 6.665 2.749 1.00 0.52 H new ATOM 695 N VAL A 46 7.617 5.717 2.198 1.00 0.37 N ATOM 696 CA VAL A 46 6.681 4.669 2.558 1.00 0.34 C ATOM 697 C VAL A 46 5.648 4.449 1.453 1.00 0.34 C ATOM 698 O VAL A 46 5.556 3.364 0.880 1.00 0.39 O ATOM 699 CB VAL A 46 5.953 5.069 3.841 1.00 0.49 C ATOM 700 CG1 VAL A 46 4.907 4.062 4.221 1.00 1.41 C ATOM 701 CG2 VAL A 46 6.906 5.283 4.995 1.00 1.13 C ATOM 0 H VAL A 46 7.626 6.502 2.850 1.00 0.37 H new ATOM 0 HA VAL A 46 7.239 3.744 2.703 1.00 0.34 H new ATOM 0 HB VAL A 46 5.461 6.018 3.629 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.411 4.381 5.138 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.172 3.981 3.420 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.377 3.092 4.381 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.343 5.566 5.884 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.454 4.361 5.190 1.00 1.13 H new ATOM 0 HG23 VAL A 46 7.609 6.077 4.744 1.00 1.13 H new ATOM 711 N LYS A 47 4.882 5.494 1.155 1.00 0.34 N ATOM 712 CA LYS A 47 3.809 5.416 0.171 1.00 0.36 C ATOM 713 C LYS A 47 4.400 5.086 -1.190 1.00 0.39 C ATOM 714 O LYS A 47 3.811 4.357 -1.991 1.00 0.43 O ATOM 715 CB LYS A 47 3.051 6.746 0.098 1.00 0.38 C ATOM 716 CG LYS A 47 3.836 7.829 -0.613 1.00 0.49 C ATOM 717 CD LYS A 47 3.202 9.199 -0.490 1.00 0.47 C ATOM 718 CE LYS A 47 2.806 9.520 0.935 1.00 0.47 C ATOM 719 NZ LYS A 47 2.493 10.969 1.106 1.00 0.67 N ATOM 0 H LYS A 47 4.987 6.413 1.586 1.00 0.34 H new ATOM 0 HA LYS A 47 3.110 4.635 0.468 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.104 6.591 -0.418 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.813 7.079 1.108 1.00 0.38 H new ATOM 0 HG2 LYS A 47 4.846 7.865 -0.205 1.00 0.49 H new ATOM 0 HG3 LYS A 47 3.927 7.571 -1.668 1.00 0.49 H new ATOM 0 HD2 LYS A 47 3.901 9.954 -0.850 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.321 9.249 -1.130 1.00 0.47 H new ATOM 0 HE2 LYS A 47 1.937 8.924 1.215 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.615 9.240 1.610 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.559 11.222 2.113 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.172 11.538 0.561 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.530 11.159 0.764 1.00 0.67 H new ATOM 733 N GLN A 48 5.592 5.622 -1.428 1.00 0.40 N ATOM 734 CA GLN A 48 6.290 5.403 -2.674 1.00 0.46 C ATOM 735 C GLN A 48 6.685 3.946 -2.822 1.00 0.45 C ATOM 736 O GLN A 48 6.736 3.425 -3.927 1.00 0.50 O ATOM 737 CB GLN A 48 7.528 6.292 -2.781 1.00 0.52 C ATOM 738 CG GLN A 48 7.240 7.689 -3.301 1.00 0.58 C ATOM 739 CD GLN A 48 6.561 7.701 -4.662 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.785 6.671 -5.470 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 5.818 8.625 -4.982 1.00 0.63 N flip ATOM 0 H GLN A 48 6.092 6.214 -0.765 1.00 0.40 H new ATOM 0 HA GLN A 48 5.607 5.667 -3.481 1.00 0.46 H new ATOM 0 HB2 GLN A 48 7.993 6.370 -1.798 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.252 5.812 -3.440 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.608 8.212 -2.584 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.176 8.244 -3.366 1.00 0.58 H new ATOM 0 HE21 GLN A 48 5.666 9.403 -4.340 1.00 0.63 H new ATOM 0 HE22 GLN A 48 5.353 8.615 -5.890 1.00 0.63 H new ATOM 750 N ALA A 49 6.971 3.297 -1.707 1.00 0.42 N ATOM 751 CA ALA A 49 7.300 1.884 -1.715 1.00 0.41 C ATOM 752 C ALA A 49 6.055 1.047 -1.935 1.00 0.39 C ATOM 753 O ALA A 49 6.053 0.107 -2.727 1.00 0.42 O ATOM 754 CB ALA A 49 7.955 1.488 -0.409 1.00 0.42 C ATOM 0 H ALA A 49 6.982 3.728 -0.783 1.00 0.42 H new ATOM 0 HA ALA A 49 7.996 1.703 -2.534 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.196 0.425 -0.430 1.00 0.42 H new ATOM 0 HB2 ALA A 49 8.870 2.065 -0.271 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.272 1.689 0.416 1.00 0.42 H new ATOM 760 N LEU A 50 4.993 1.417 -1.242 1.00 0.38 N ATOM 761 CA LEU A 50 3.754 0.652 -1.244 1.00 0.40 C ATOM 762 C LEU A 50 3.103 0.585 -2.616 1.00 0.41 C ATOM 763 O LEU A 50 2.409 -0.379 -2.918 1.00 0.43 O ATOM 764 CB LEU A 50 2.768 1.239 -0.239 1.00 0.45 C ATOM 765 CG LEU A 50 2.789 0.596 1.148 1.00 0.69 C ATOM 766 CD1 LEU A 50 4.178 0.648 1.758 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.786 1.278 2.055 1.00 1.20 C ATOM 0 H LEU A 50 4.963 2.255 -0.662 1.00 0.38 H new ATOM 0 HA LEU A 50 4.017 -0.367 -0.959 1.00 0.40 H new ATOM 0 HB2 LEU A 50 2.975 2.304 -0.131 1.00 0.45 H new ATOM 0 HB3 LEU A 50 1.761 1.150 -0.648 1.00 0.45 H new ATOM 0 HG LEU A 50 2.512 -0.453 1.040 1.00 0.69 H new ATOM 0 HD11 LEU A 50 4.160 0.183 2.744 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.877 0.112 1.117 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.495 1.687 1.852 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.810 0.812 3.040 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.039 2.334 2.148 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.787 1.180 1.631 1.00 1.20 H new ATOM 779 N ARG A 51 3.349 1.573 -3.463 1.00 0.44 N ATOM 780 CA ARG A 51 2.678 1.619 -4.755 1.00 0.50 C ATOM 781 C ARG A 51 3.369 0.642 -5.680 1.00 0.52 C ATOM 782 O ARG A 51 2.756 0.010 -6.542 1.00 0.59 O ATOM 783 CB ARG A 51 2.731 3.036 -5.329 1.00 0.53 C ATOM 784 CG ARG A 51 4.144 3.504 -5.612 1.00 0.52 C ATOM 785 CD ARG A 51 4.240 5.007 -5.727 1.00 0.73 C ATOM 786 NE ARG A 51 3.576 5.529 -6.918 1.00 1.21 N ATOM 787 CZ ARG A 51 2.727 6.557 -6.915 1.00 1.63 C ATOM 788 NH1 ARG A 51 2.290 7.069 -5.768 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.292 7.055 -8.064 1.00 2.17 N ATOM 0 H ARG A 51 3.996 2.341 -3.285 1.00 0.44 H new ATOM 0 HA ARG A 51 1.629 1.345 -4.645 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.150 3.071 -6.251 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.259 3.725 -4.628 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.804 3.160 -4.816 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.496 3.048 -6.537 1.00 0.52 H new ATOM 0 HD2 ARG A 51 3.798 5.463 -4.841 1.00 0.73 H new ATOM 0 HD3 ARG A 51 5.290 5.299 -5.745 1.00 0.73 H new ATOM 0 HE ARG A 51 3.775 5.078 -7.811 1.00 1.21 H new ATOM 0 HH11 ARG A 51 2.604 6.675 -4.881 1.00 1.96 H new ATOM 0 HH12 ARG A 51 1.641 7.856 -5.775 1.00 1.96 H new ATOM 0 HH21 ARG A 51 2.607 6.652 -8.946 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.642 7.841 -8.066 1.00 2.17 H new ATOM 803 N GLU A 52 4.659 0.520 -5.448 1.00 0.49 N ATOM 804 CA GLU A 52 5.525 -0.350 -6.209 1.00 0.54 C ATOM 805 C GLU A 52 5.388 -1.783 -5.711 1.00 0.53 C ATOM 806 O GLU A 52 5.282 -2.724 -6.501 1.00 0.58 O ATOM 807 CB GLU A 52 6.952 0.157 -6.051 1.00 0.59 C ATOM 808 CG GLU A 52 7.058 1.670 -6.209 1.00 0.63 C ATOM 809 CD GLU A 52 6.826 2.132 -7.638 1.00 0.87 C ATOM 810 OE1 GLU A 52 5.679 2.040 -8.124 1.00 1.07 O ATOM 811 OE2 GLU A 52 7.784 2.607 -8.278 1.00 1.10 O ATOM 0 H GLU A 52 5.142 1.033 -4.711 1.00 0.49 H new ATOM 0 HA GLU A 52 5.252 -0.344 -7.264 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.329 -0.129 -5.069 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.590 -0.327 -6.791 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.331 2.151 -5.554 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.045 1.996 -5.883 1.00 0.63 H new ATOM 818 N ALA A 53 5.376 -1.931 -4.388 1.00 0.49 N ATOM 819 CA ALA A 53 5.148 -3.221 -3.748 1.00 0.48 C ATOM 820 C ALA A 53 3.755 -3.732 -4.080 1.00 0.49 C ATOM 821 O ALA A 53 3.561 -4.916 -4.347 1.00 0.53 O ATOM 822 CB ALA A 53 5.322 -3.100 -2.236 1.00 0.45 C ATOM 0 H ALA A 53 5.524 -1.163 -3.733 1.00 0.49 H new ATOM 0 HA ALA A 53 5.881 -3.934 -4.126 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.149 -4.071 -1.771 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.335 -2.766 -2.012 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.606 -2.377 -1.844 1.00 0.45 H new ATOM 828 N GLY A 54 2.791 -2.819 -4.064 1.00 0.49 N ATOM 829 CA GLY A 54 1.429 -3.160 -4.412 1.00 0.53 C ATOM 830 C GLY A 54 1.321 -3.689 -5.822 1.00 0.60 C ATOM 831 O GLY A 54 0.639 -4.672 -6.060 1.00 0.70 O ATOM 0 H GLY A 54 2.933 -1.841 -3.813 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.053 -3.908 -3.714 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.796 -2.279 -4.306 1.00 0.53 H new ATOM 835 N ASP A 55 2.031 -3.053 -6.748 1.00 0.61 N ATOM 836 CA ASP A 55 2.026 -3.464 -8.153 1.00 0.69 C ATOM 837 C ASP A 55 2.372 -4.943 -8.299 1.00 0.70 C ATOM 838 O ASP A 55 1.805 -5.645 -9.132 1.00 0.79 O ATOM 839 CB ASP A 55 3.027 -2.625 -8.943 1.00 0.73 C ATOM 840 CG ASP A 55 3.139 -3.055 -10.391 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.184 -2.834 -11.164 1.00 1.04 O ATOM 842 OD2 ASP A 55 4.188 -3.625 -10.759 1.00 0.82 O ATOM 0 H ASP A 55 2.622 -2.245 -6.552 1.00 0.61 H new ATOM 0 HA ASP A 55 1.022 -3.307 -8.546 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.729 -1.577 -8.902 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.007 -2.696 -8.471 1.00 0.73 H new ATOM 847 N GLU A 56 3.297 -5.401 -7.471 1.00 0.66 N ATOM 848 CA GLU A 56 3.718 -6.800 -7.463 1.00 0.74 C ATOM 849 C GLU A 56 2.643 -7.715 -6.874 1.00 0.77 C ATOM 850 O GLU A 56 2.630 -8.919 -7.127 1.00 0.88 O ATOM 851 CB GLU A 56 5.048 -6.964 -6.724 1.00 0.79 C ATOM 852 CG GLU A 56 6.223 -6.361 -7.478 1.00 1.24 C ATOM 853 CD GLU A 56 7.559 -6.904 -7.017 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.883 -8.060 -7.363 1.00 1.43 O ATOM 855 OE2 GLU A 56 8.296 -6.179 -6.325 1.00 2.29 O ATOM 0 H GLU A 56 3.778 -4.818 -6.786 1.00 0.66 H new ATOM 0 HA GLU A 56 3.864 -7.103 -8.500 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.973 -6.495 -5.743 1.00 0.79 H new ATOM 0 HB3 GLU A 56 5.236 -8.024 -6.556 1.00 0.79 H new ATOM 0 HG2 GLU A 56 6.104 -6.558 -8.543 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.213 -5.278 -7.351 1.00 1.24 H new ATOM 862 N PHE A 57 1.795 -7.156 -6.038 1.00 0.71 N ATOM 863 CA PHE A 57 0.653 -7.881 -5.489 1.00 0.75 C ATOM 864 C PHE A 57 -0.559 -7.863 -6.443 1.00 0.78 C ATOM 865 O PHE A 57 -1.194 -8.894 -6.678 1.00 0.91 O ATOM 866 CB PHE A 57 0.262 -7.301 -4.123 1.00 0.76 C ATOM 867 CG PHE A 57 -1.031 -7.846 -3.584 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.120 -9.159 -3.149 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.161 -7.048 -3.522 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.311 -9.661 -2.660 1.00 1.79 C ATOM 871 CE2 PHE A 57 -3.354 -7.545 -3.036 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.429 -8.854 -2.603 1.00 2.20 C ATOM 0 H PHE A 57 1.871 -6.191 -5.716 1.00 0.71 H new ATOM 0 HA PHE A 57 0.956 -8.921 -5.366 1.00 0.75 H new ATOM 0 HB2 PHE A 57 1.059 -7.507 -3.409 1.00 0.76 H new ATOM 0 HB3 PHE A 57 0.182 -6.217 -4.207 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.249 -9.796 -3.193 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.108 -6.023 -3.858 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.367 -10.685 -2.322 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -4.227 -6.911 -2.995 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.360 -9.245 -2.221 1.00 2.20 H new ATOM 882 N GLU A 58 -0.852 -6.692 -7.006 1.00 0.73 N ATOM 883 CA GLU A 58 -2.142 -6.434 -7.664 1.00 0.82 C ATOM 884 C GLU A 58 -2.350 -7.267 -8.912 1.00 0.82 C ATOM 885 O GLU A 58 -3.412 -7.853 -9.102 1.00 0.89 O ATOM 886 CB GLU A 58 -2.268 -4.964 -8.043 1.00 0.86 C ATOM 887 CG GLU A 58 -2.076 -4.024 -6.880 1.00 0.91 C ATOM 888 CD GLU A 58 -2.184 -2.574 -7.288 1.00 0.93 C ATOM 889 OE1 GLU A 58 -1.252 -2.065 -7.945 1.00 1.24 O ATOM 890 OE2 GLU A 58 -3.211 -1.938 -6.980 1.00 1.30 O ATOM 0 H GLU A 58 -0.211 -5.898 -7.022 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.905 -6.713 -6.937 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.533 -4.731 -8.813 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.252 -4.793 -8.480 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.822 -4.240 -6.115 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.099 -4.201 -6.431 1.00 0.91 H new ATOM 897 N LEU A 59 -1.331 -7.318 -9.751 1.00 0.81 N ATOM 898 CA LEU A 59 -1.416 -7.964 -11.057 1.00 0.87 C ATOM 899 C LEU A 59 -1.922 -9.401 -10.935 1.00 0.85 C ATOM 900 O LEU A 59 -2.568 -9.922 -11.841 1.00 0.96 O ATOM 901 CB LEU A 59 -0.037 -7.980 -11.709 1.00 0.96 C ATOM 902 CG LEU A 59 0.946 -8.953 -11.064 1.00 1.06 C ATOM 903 CD1 LEU A 59 2.202 -9.078 -11.877 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.304 -8.530 -9.666 1.00 1.46 C ATOM 0 H LEU A 59 -0.417 -6.913 -9.549 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.120 -7.398 -11.667 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.148 -8.237 -12.762 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.384 -6.975 -11.669 1.00 0.96 H new ATOM 0 HG LEU A 59 0.447 -9.921 -11.024 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.882 -9.778 -11.391 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.955 -9.444 -12.874 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.682 -8.103 -11.957 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.006 -9.246 -9.238 1.00 1.46 H new ATOM 0 HD22 LEU A 59 1.764 -7.542 -9.691 1.00 1.46 H new ATOM 0 HD23 LEU A 59 0.402 -8.495 -9.054 1.00 1.46 H new ATOM 916 N ARG A 60 -1.596 -10.029 -9.813 1.00 0.83 N ATOM 917 CA ARG A 60 -1.972 -11.410 -9.548 1.00 0.90 C ATOM 918 C ARG A 60 -3.491 -11.573 -9.436 1.00 0.98 C ATOM 919 O ARG A 60 -4.085 -12.397 -10.129 1.00 1.15 O ATOM 920 CB ARG A 60 -1.305 -11.890 -8.260 1.00 1.03 C ATOM 921 CG ARG A 60 0.189 -11.635 -8.228 1.00 1.00 C ATOM 922 CD ARG A 60 0.805 -12.080 -6.915 1.00 1.07 C ATOM 923 NE ARG A 60 2.203 -11.677 -6.810 1.00 1.41 N ATOM 924 CZ ARG A 60 3.231 -12.508 -6.943 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.024 -13.792 -7.220 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.468 -12.056 -6.796 1.00 2.58 N ATOM 0 H ARG A 60 -1.063 -9.594 -9.060 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.632 -12.015 -10.389 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.770 -11.391 -7.410 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.487 -12.958 -8.141 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.667 -12.165 -9.052 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.380 -10.573 -8.378 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.240 -11.654 -6.086 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.731 -13.164 -6.828 1.00 1.07 H new ATOM 0 HE ARG A 60 2.404 -10.695 -6.623 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.073 -14.143 -7.331 1.00 2.43 H new ATOM 0 HH12 ARG A 60 3.817 -14.426 -7.321 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.629 -11.072 -6.581 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.259 -12.692 -6.898 1.00 2.58 H new ATOM 940 N TYR A 61 -4.112 -10.781 -8.568 1.00 1.04 N ATOM 941 CA TYR A 61 -5.552 -10.889 -8.324 1.00 1.26 C ATOM 942 C TYR A 61 -6.339 -9.971 -9.258 1.00 1.32 C ATOM 943 O TYR A 61 -7.567 -9.961 -9.238 1.00 1.59 O ATOM 944 CB TYR A 61 -5.889 -10.552 -6.860 1.00 1.52 C ATOM 945 CG TYR A 61 -5.951 -9.065 -6.562 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.804 -8.344 -6.267 1.00 2.70 C ATOM 947 CD2 TYR A 61 -7.166 -8.383 -6.584 1.00 2.84 C ATOM 948 CE1 TYR A 61 -4.863 -6.988 -6.004 1.00 3.67 C ATOM 949 CE2 TYR A 61 -7.229 -7.027 -6.326 1.00 3.86 C ATOM 950 CZ TYR A 61 -6.075 -6.336 -6.037 1.00 4.23 C ATOM 951 OH TYR A 61 -6.130 -4.984 -5.784 1.00 5.32 O ATOM 0 H TYR A 61 -3.645 -10.058 -8.021 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.840 -11.921 -8.524 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.849 -11.002 -6.607 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -5.142 -11.010 -6.212 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.850 -8.849 -6.242 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -8.074 -8.924 -6.807 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -3.960 -6.442 -5.773 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.178 -6.513 -6.351 1.00 3.86 H new ATOM 0 HH TYR A 61 -7.058 -4.677 -5.847 1.00 5.32 H new ATOM 961 N ARG A 62 -5.619 -9.192 -10.055 1.00 1.28 N ATOM 962 CA ARG A 62 -6.211 -8.140 -10.882 1.00 1.39 C ATOM 963 C ARG A 62 -7.346 -8.662 -11.770 1.00 1.07 C ATOM 964 O ARG A 62 -8.320 -7.950 -12.017 1.00 1.30 O ATOM 965 CB ARG A 62 -5.126 -7.495 -11.743 1.00 1.72 C ATOM 966 CG ARG A 62 -5.444 -6.076 -12.176 1.00 2.15 C ATOM 967 CD ARG A 62 -4.276 -5.462 -12.927 1.00 2.51 C ATOM 968 NE ARG A 62 -4.468 -4.038 -13.182 1.00 3.10 N ATOM 969 CZ ARG A 62 -4.116 -3.435 -14.315 1.00 3.59 C ATOM 970 NH1 ARG A 62 -3.617 -4.147 -15.319 1.00 3.59 N ATOM 971 NH2 ARG A 62 -4.281 -2.128 -14.450 1.00 4.48 N ATOM 0 H ARG A 62 -4.606 -9.269 -10.149 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.646 -7.399 -10.211 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.189 -7.493 -11.187 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.968 -8.108 -12.630 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.330 -6.076 -12.811 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.678 -5.469 -11.302 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -3.361 -5.606 -12.352 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.142 -5.984 -13.875 1.00 2.51 H new ATOM 0 HE ARG A 62 -4.897 -3.472 -12.450 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.504 -5.156 -15.222 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -3.347 -3.685 -16.187 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -4.678 -1.582 -13.685 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -4.011 -1.667 -15.319 1.00 4.48 H new ATOM 985 N ARG A 63 -7.215 -9.895 -12.247 1.00 0.98 N ATOM 986 CA ARG A 63 -8.257 -10.521 -13.059 1.00 1.19 C ATOM 987 C ARG A 63 -9.533 -10.722 -12.242 1.00 1.20 C ATOM 988 O ARG A 63 -10.642 -10.611 -12.762 1.00 1.45 O ATOM 989 CB ARG A 63 -7.767 -11.868 -13.605 1.00 1.61 C ATOM 990 CG ARG A 63 -7.494 -12.905 -12.524 1.00 2.18 C ATOM 991 CD ARG A 63 -6.874 -14.167 -13.095 1.00 2.52 C ATOM 992 NE ARG A 63 -5.557 -13.917 -13.678 1.00 3.12 N ATOM 993 CZ ARG A 63 -4.523 -14.743 -13.553 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.630 -15.842 -12.813 1.00 4.07 N ATOM 995 NH2 ARG A 63 -3.376 -14.455 -14.151 1.00 4.72 N ATOM 0 H ARG A 63 -6.397 -10.483 -12.086 1.00 0.98 H new ATOM 0 HA ARG A 63 -8.482 -9.859 -13.895 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -8.513 -12.263 -14.295 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.855 -11.707 -14.180 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -6.827 -12.480 -11.773 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -8.426 -13.155 -12.017 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -6.785 -14.915 -12.307 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -7.534 -14.582 -13.856 1.00 2.52 H new ATOM 0 HE ARG A 63 -5.424 -13.058 -14.212 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.508 -16.054 -12.339 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -3.834 -16.473 -12.720 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -3.289 -13.603 -14.704 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -2.580 -15.086 -14.058 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.360 -10.995 -10.955 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.474 -11.243 -10.056 1.00 1.09 C ATOM 1011 C ALA A 64 -11.131 -9.934 -9.645 1.00 1.08 C ATOM 1012 O ALA A 64 -12.326 -9.898 -9.384 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.993 -12.002 -8.824 1.00 1.17 C ATOM 0 H ALA A 64 -8.445 -11.050 -10.508 1.00 1.07 H new ATOM 0 HA ALA A 64 -11.214 -11.850 -10.578 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.835 -12.183 -8.156 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.561 -12.955 -9.129 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.239 -11.411 -8.304 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.340 -8.862 -9.619 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.796 -7.540 -9.172 1.00 1.22 C ATOM 1021 C PHE A 65 -12.169 -7.169 -9.741 1.00 1.19 C ATOM 1022 O PHE A 65 -13.054 -6.732 -9.008 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.761 -6.478 -9.565 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.245 -5.063 -9.405 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.426 -4.514 -8.148 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -10.526 -4.288 -10.519 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.878 -3.217 -8.005 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.979 -2.991 -10.381 1.00 2.59 C ATOM 1029 CZ PHE A 65 -11.155 -2.455 -9.122 1.00 2.81 C ATOM 0 H PHE A 65 -9.362 -8.883 -9.907 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.899 -7.580 -8.088 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.866 -6.616 -8.958 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.470 -6.636 -10.603 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.212 -5.106 -7.270 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -10.389 -4.703 -11.506 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -11.015 -2.799 -7.019 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -11.195 -2.397 -11.257 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.509 -1.441 -9.011 1.00 2.81 H new ATOM 1039 N SER A 66 -12.348 -7.369 -11.038 1.00 1.20 N ATOM 1040 CA SER A 66 -13.591 -6.993 -11.700 1.00 1.24 C ATOM 1041 C SER A 66 -14.770 -7.788 -11.132 1.00 1.13 C ATOM 1042 O SER A 66 -15.825 -7.226 -10.828 1.00 1.16 O ATOM 1043 CB SER A 66 -13.472 -7.216 -13.212 1.00 1.45 C ATOM 1044 OG SER A 66 -14.648 -6.810 -13.894 1.00 2.19 O ATOM 0 H SER A 66 -11.651 -7.789 -11.653 1.00 1.20 H new ATOM 0 HA SER A 66 -13.775 -5.935 -11.515 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.617 -6.659 -13.596 1.00 1.45 H new ATOM 0 HB3 SER A 66 -13.281 -8.271 -13.411 1.00 1.45 H new ATOM 0 HG SER A 66 -14.538 -6.964 -14.856 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.569 -9.085 -10.960 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.627 -9.981 -10.505 1.00 1.08 C ATOM 1052 C ASP A 67 -15.821 -9.897 -8.997 1.00 0.97 C ATOM 1053 O ASP A 67 -16.922 -10.106 -8.488 1.00 1.01 O ATOM 1054 CB ASP A 67 -15.300 -11.422 -10.903 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.583 -11.705 -12.364 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -14.777 -11.287 -13.220 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -16.622 -12.332 -12.667 1.00 2.06 O ATOM 0 H ASP A 67 -13.675 -9.546 -11.130 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.555 -9.669 -10.984 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.249 -11.622 -10.696 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -15.882 -12.106 -10.286 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.747 -9.578 -8.289 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.757 -9.544 -6.836 1.00 0.85 C ATOM 1064 C LEU A 68 -15.737 -8.522 -6.280 1.00 0.76 C ATOM 1065 O LEU A 68 -16.217 -8.686 -5.164 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.349 -9.281 -6.308 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.588 -10.535 -5.862 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.708 -11.643 -6.890 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.133 -10.207 -5.607 1.00 1.56 C ATOM 0 H LEU A 68 -13.848 -9.336 -8.705 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.096 -10.521 -6.493 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.772 -8.779 -7.085 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.414 -8.593 -5.465 1.00 0.91 H new ATOM 0 HG LEU A 68 -13.036 -10.888 -4.933 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.158 -12.519 -6.546 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.758 -11.903 -7.024 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.294 -11.305 -7.840 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.607 -11.108 -5.291 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.681 -9.824 -6.522 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.062 -9.452 -4.824 1.00 1.56 H new ATOM 1081 N THR A 69 -16.067 -7.496 -7.056 1.00 0.70 N ATOM 1082 CA THR A 69 -17.027 -6.493 -6.603 1.00 0.62 C ATOM 1083 C THR A 69 -18.360 -7.143 -6.250 1.00 0.63 C ATOM 1084 O THR A 69 -19.089 -6.669 -5.379 1.00 0.60 O ATOM 1085 CB THR A 69 -17.262 -5.391 -7.652 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.519 -5.965 -8.942 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.073 -4.458 -7.729 1.00 0.63 C ATOM 0 H THR A 69 -15.690 -7.336 -7.990 1.00 0.70 H new ATOM 0 HA THR A 69 -16.596 -6.029 -5.716 1.00 0.62 H new ATOM 0 HB THR A 69 -18.135 -4.817 -7.343 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.675 -6.258 -9.344 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.263 -3.688 -8.477 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.915 -3.989 -6.758 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.184 -5.024 -8.008 1.00 0.63 H new ATOM 1095 N SER A 70 -18.653 -8.249 -6.921 1.00 0.72 N ATOM 1096 CA SER A 70 -19.851 -9.018 -6.652 1.00 0.80 C ATOM 1097 C SER A 70 -19.664 -9.835 -5.380 1.00 0.76 C ATOM 1098 O SER A 70 -20.576 -9.968 -4.565 1.00 0.76 O ATOM 1099 CB SER A 70 -20.137 -9.949 -7.828 1.00 0.96 C ATOM 1100 OG SER A 70 -21.448 -10.478 -7.757 1.00 1.34 O ATOM 0 H SER A 70 -18.067 -8.633 -7.663 1.00 0.72 H new ATOM 0 HA SER A 70 -20.693 -8.339 -6.519 1.00 0.80 H new ATOM 0 HB2 SER A 70 -20.012 -9.405 -8.764 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.413 -10.764 -7.834 1.00 0.96 H new ATOM 0 HG SER A 70 -21.604 -11.069 -8.523 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.458 -10.363 -5.217 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.116 -11.187 -4.068 1.00 0.77 C ATOM 1108 C GLN A 71 -18.162 -10.357 -2.796 1.00 0.67 C ATOM 1109 O GLN A 71 -18.750 -10.760 -1.793 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.720 -11.788 -4.247 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.494 -12.387 -5.619 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.378 -13.413 -5.636 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.417 -13.263 -4.739 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.385 -14.341 -6.446 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.691 -10.232 -5.877 1.00 0.77 H new ATOM 0 HA GLN A 71 -18.843 -11.996 -3.990 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.974 -11.014 -4.070 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.565 -12.559 -3.492 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.417 -12.855 -5.963 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.259 -11.590 -6.324 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.144 -14.422 -7.122 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -14.631 -15.028 -6.440 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.548 -9.186 -2.851 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.531 -8.281 -1.717 1.00 0.55 C ATOM 1125 C LEU A 72 -18.885 -7.606 -1.552 1.00 0.47 C ATOM 1126 O LEU A 72 -19.303 -7.310 -0.433 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.450 -7.218 -1.908 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.023 -7.750 -2.020 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.371 -7.242 -3.295 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.210 -7.347 -0.800 1.00 1.35 C ATOM 0 H LEU A 72 -17.053 -8.840 -3.673 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.313 -8.860 -0.820 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.679 -6.648 -2.808 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.496 -6.522 -1.070 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.057 -8.839 -2.062 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.354 -7.629 -3.363 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -14.946 -7.580 -4.157 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.345 -6.152 -3.281 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.195 -7.734 -0.895 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.179 -6.260 -0.727 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.672 -7.758 0.097 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.572 -7.394 -2.675 1.00 0.48 N ATOM 1143 CA HIS A 73 -20.855 -6.688 -2.696 1.00 0.48 C ATOM 1144 C HIS A 73 -20.619 -5.214 -2.438 1.00 0.43 C ATOM 1145 O HIS A 73 -21.185 -4.622 -1.519 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.857 -7.257 -1.683 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.361 -8.620 -2.032 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -23.229 -9.021 -2.987 1.00 2.06 N flip ATOM 1149 CD2 HIS A 73 -21.984 -9.760 -1.356 1.00 1.97 C flip ATOM 1150 CE1 HIS A 73 -23.360 -10.379 -2.872 1.00 2.72 C flip ATOM 1151 NE2 HIS A 73 -22.598 -10.801 -1.882 1.00 2.62 N flip ATOM 0 H HIS A 73 -19.257 -7.706 -3.594 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.297 -6.828 -3.682 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.385 -7.295 -0.701 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.704 -6.576 -1.603 1.00 0.55 H new ATOM 0 HD1 HIS A 73 -23.699 -8.423 -3.667 1.00 2.06 H new ATOM 0 HD2 HIS A 73 -21.294 -9.795 -0.526 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -23.986 -11.004 -3.492 1.00 2.72 H new ATOM 1160 N ILE A 74 -19.750 -4.654 -3.259 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.376 -3.255 -3.182 1.00 0.41 C ATOM 1162 C ILE A 74 -20.597 -2.364 -3.339 1.00 0.49 C ATOM 1163 O ILE A 74 -21.278 -2.388 -4.367 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.344 -2.948 -4.270 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.176 -3.922 -4.131 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.864 -1.510 -4.165 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.277 -3.627 -2.951 1.00 0.39 C ATOM 0 H ILE A 74 -19.279 -5.164 -4.006 1.00 0.45 H new ATOM 0 HA ILE A 74 -18.939 -3.054 -2.204 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.802 -3.070 -5.252 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.568 -4.934 -4.034 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.582 -3.896 -5.045 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.131 -1.313 -4.947 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.711 -0.834 -4.283 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.405 -1.350 -3.189 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.470 -4.359 -2.916 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.855 -2.627 -3.056 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -16.857 -3.682 -2.029 1.00 0.39 H new ATOM 1179 N THR A 75 -20.867 -1.592 -2.306 1.00 0.38 N ATOM 1180 CA THR A 75 -22.106 -0.859 -2.194 1.00 0.40 C ATOM 1181 C THR A 75 -21.866 0.343 -1.251 1.00 0.37 C ATOM 1182 O THR A 75 -20.703 0.653 -0.984 1.00 0.34 O ATOM 1183 CB THR A 75 -23.193 -1.850 -1.669 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.481 -1.539 -2.211 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.264 -1.875 -0.146 1.00 0.46 C ATOM 0 H THR A 75 -20.231 -1.457 -1.520 1.00 0.38 H new ATOM 0 HA THR A 75 -22.454 -0.459 -3.146 1.00 0.40 H new ATOM 0 HB THR A 75 -22.896 -2.843 -2.007 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.143 -2.175 -1.868 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.034 -2.578 0.171 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.300 -2.185 0.258 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.508 -0.879 0.223 1.00 0.46 H new ATOM 1193 N PRO A 76 -22.920 1.089 -0.817 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.877 2.021 0.317 1.00 0.37 C ATOM 1195 C PRO A 76 -21.875 1.655 1.424 1.00 0.35 C ATOM 1196 O PRO A 76 -21.353 0.545 1.467 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.309 1.953 0.857 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.159 1.457 -0.276 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.244 1.164 -1.439 1.00 0.44 C ATOM 0 HA PRO A 76 -22.541 3.007 -0.006 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.371 1.281 1.713 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.645 2.933 1.196 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.703 0.560 0.018 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.902 2.205 -0.553 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.509 0.230 -1.934 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.290 1.949 -2.194 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.630 2.636 2.304 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.625 2.568 3.376 1.00 0.37 C ATOM 1209 C GLY A 77 -20.373 1.206 4.011 1.00 0.38 C ATOM 1210 O GLY A 77 -19.301 0.977 4.566 1.00 0.40 O ATOM 0 H GLY A 77 -22.137 3.521 2.290 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.679 2.934 2.976 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -20.926 3.258 4.165 1.00 0.37 H new ATOM 1214 N THR A 78 -21.334 0.307 3.948 1.00 0.40 N ATOM 1215 CA THR A 78 -21.181 -1.014 4.519 1.00 0.42 C ATOM 1216 C THR A 78 -20.218 -1.887 3.709 1.00 0.38 C ATOM 1217 O THR A 78 -20.028 -3.063 4.018 1.00 0.40 O ATOM 1218 CB THR A 78 -22.545 -1.698 4.640 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.273 -1.549 3.415 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.325 -1.079 5.780 1.00 0.56 C ATOM 0 H THR A 78 -22.237 0.470 3.503 1.00 0.40 H new ATOM 0 HA THR A 78 -20.748 -0.892 5.512 1.00 0.42 H new ATOM 0 HB THR A 78 -22.399 -2.759 4.840 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.144 -1.990 3.497 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.296 -1.568 5.864 1.00 0.56 H new ATOM 0 HG22 THR A 78 -22.772 -1.207 6.711 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.469 -0.016 5.587 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.573 -1.294 2.705 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.542 -1.980 1.936 1.00 0.31 C ATOM 1230 C ALA A 79 -17.311 -2.220 2.803 1.00 0.30 C ATOM 1231 O ALA A 79 -16.420 -2.986 2.444 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.174 -1.178 0.692 1.00 0.32 C ATOM 0 H ALA A 79 -19.749 -0.335 2.406 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.934 -2.944 1.614 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.403 -1.708 0.132 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.057 -1.054 0.065 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.799 -0.198 0.988 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.275 -1.564 3.959 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.195 -1.763 4.916 1.00 0.36 C ATOM 1240 C TYR A 80 -16.387 -3.083 5.643 1.00 0.36 C ATOM 1241 O TYR A 80 -15.480 -3.583 6.299 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.119 -0.603 5.912 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.081 -0.680 7.081 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.456 -0.707 6.892 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -16.600 -0.709 8.384 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.323 -0.761 7.966 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -17.459 -0.767 9.462 1.00 2.52 C ATOM 1248 CZ TYR A 80 -18.819 -0.792 9.249 1.00 3.12 C ATOM 1249 OH TYR A 80 -19.678 -0.839 10.322 1.00 4.13 O ATOM 0 H TYR A 80 -17.982 -0.890 4.254 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.251 -1.792 4.371 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.103 -0.550 6.303 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.303 0.327 5.374 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -18.855 -0.685 5.888 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -15.534 -0.686 8.556 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.390 -0.779 7.802 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -17.067 -0.793 10.468 1.00 2.52 H new ATOM 0 HH TYR A 80 -19.161 -0.857 11.154 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.588 -3.626 5.528 1.00 0.37 N ATOM 1260 CA GLN A 81 -17.884 -4.955 6.041 1.00 0.41 C ATOM 1261 C GLN A 81 -17.458 -6.005 5.027 1.00 0.41 C ATOM 1262 O GLN A 81 -17.143 -7.141 5.372 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.371 -5.090 6.375 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.734 -4.546 7.746 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.219 -4.632 8.029 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -21.713 -5.643 8.532 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -21.941 -3.570 7.718 1.00 0.79 N ATOM 0 H GLN A 81 -18.379 -3.163 5.081 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.322 -5.110 6.962 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -19.955 -4.566 5.618 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.653 -6.142 6.323 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.189 -5.101 8.510 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.413 -3.507 7.818 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.493 -2.753 7.303 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.946 -3.567 7.893 1.00 0.79 H new ATOM 1276 N SER A 82 -17.442 -5.598 3.779 1.00 0.39 N ATOM 1277 CA SER A 82 -16.910 -6.410 2.703 1.00 0.41 C ATOM 1278 C SER A 82 -15.390 -6.414 2.777 1.00 0.41 C ATOM 1279 O SER A 82 -14.748 -7.462 2.764 1.00 0.48 O ATOM 1280 CB SER A 82 -17.367 -5.828 1.374 1.00 0.41 C ATOM 1281 OG SER A 82 -18.740 -5.479 1.425 1.00 0.43 O ATOM 0 H SER A 82 -17.798 -4.691 3.478 1.00 0.39 H new ATOM 0 HA SER A 82 -17.271 -7.435 2.793 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.772 -4.947 1.133 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.200 -6.553 0.577 1.00 0.41 H new ATOM 0 HG SER A 82 -19.230 -5.976 0.737 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.830 -5.214 2.878 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.394 -5.032 3.048 1.00 0.37 C ATOM 1289 C PHE A 83 -12.951 -5.595 4.395 1.00 0.38 C ATOM 1290 O PHE A 83 -11.771 -5.862 4.623 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.049 -3.545 2.948 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.575 -3.257 2.958 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.771 -3.660 1.906 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -10.997 -2.579 4.019 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.417 -3.395 1.911 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.642 -2.311 4.031 1.00 1.05 C ATOM 1297 CZ PHE A 83 -8.849 -2.728 2.978 1.00 1.18 C ATOM 0 H PHE A 83 -15.358 -4.342 2.844 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.866 -5.569 2.260 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.481 -3.143 2.031 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.517 -3.017 3.779 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.209 -4.188 1.072 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.613 -2.257 4.846 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.802 -3.709 1.081 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.203 -1.777 4.861 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.787 -2.532 2.990 1.00 1.18 H new ATOM 1307 N GLU A 84 -13.918 -5.773 5.277 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.675 -6.324 6.601 1.00 0.48 C ATOM 1309 C GLU A 84 -13.153 -7.735 6.500 1.00 0.52 C ATOM 1310 O GLU A 84 -12.170 -8.091 7.140 1.00 0.55 O ATOM 1311 CB GLU A 84 -14.964 -6.350 7.399 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.805 -6.903 8.795 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.055 -6.727 9.627 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -16.189 -5.681 10.292 1.00 0.80 O ATOM 1315 OE2 GLU A 84 -16.916 -7.632 9.614 1.00 0.78 O ATOM 0 H GLU A 84 -14.895 -5.540 5.097 1.00 0.41 H new ATOM 0 HA GLU A 84 -12.937 -5.693 7.097 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.362 -5.337 7.463 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.700 -6.948 6.863 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.556 -7.963 8.738 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -13.970 -6.405 9.288 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.850 -8.527 5.701 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.472 -9.910 5.435 1.00 0.65 C ATOM 1324 C GLN A 85 -12.003 -9.990 5.087 1.00 0.64 C ATOM 1325 O GLN A 85 -11.301 -10.914 5.497 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.302 -10.459 4.277 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.787 -10.263 4.471 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.629 -10.883 3.373 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.196 -11.002 2.232 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.847 -11.277 3.706 1.00 1.62 N ATOM 0 H GLN A 85 -14.697 -8.230 5.216 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.659 -10.504 6.329 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -13.994 -9.970 3.353 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.094 -11.522 4.160 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.080 -10.693 5.429 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.001 -9.195 4.522 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.176 -11.163 4.665 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.458 -11.695 3.004 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.553 -8.971 4.377 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.197 -8.907 3.878 1.00 0.62 C ATOM 1341 C VAL A 86 -9.244 -8.430 4.954 1.00 0.55 C ATOM 1342 O VAL A 86 -8.251 -9.075 5.250 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.065 -7.926 2.722 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -8.969 -8.407 1.805 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.388 -7.729 2.011 1.00 1.30 C ATOM 0 H VAL A 86 -12.123 -8.162 4.131 1.00 0.58 H new ATOM 0 HA VAL A 86 -9.952 -9.918 3.551 1.00 0.62 H new ATOM 0 HB VAL A 86 -9.789 -6.941 3.098 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -8.862 -7.714 0.971 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.030 -8.459 2.356 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.221 -9.397 1.424 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.259 -7.023 1.191 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.735 -8.684 1.616 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.124 -7.338 2.714 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.545 -7.277 5.537 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.667 -6.692 6.540 1.00 0.51 C ATOM 1357 C VAL A 87 -8.511 -7.662 7.703 1.00 0.56 C ATOM 1358 O VAL A 87 -7.524 -7.646 8.439 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.198 -5.330 7.039 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.440 -5.490 7.909 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.103 -4.574 7.777 1.00 0.85 C ATOM 0 H VAL A 87 -10.383 -6.733 5.335 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.695 -6.511 6.082 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.494 -4.747 6.167 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.782 -4.509 8.239 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.228 -5.974 7.332 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.199 -6.102 8.778 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.492 -3.616 8.123 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.769 -5.161 8.633 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.262 -4.403 7.105 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.503 -8.524 7.818 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.487 -9.622 8.752 1.00 0.71 C ATOM 1373 C ASN A 88 -8.492 -10.694 8.315 1.00 0.78 C ATOM 1374 O ASN A 88 -7.536 -10.970 9.029 1.00 0.91 O ATOM 1375 CB ASN A 88 -10.887 -10.202 8.873 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.599 -9.686 10.105 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.494 -10.267 11.185 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.321 -8.589 9.959 1.00 0.73 N ATOM 0 H ASN A 88 -10.352 -8.476 7.255 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.167 -9.254 9.727 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.465 -9.947 7.985 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -10.829 -11.290 8.914 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -12.816 -8.194 10.759 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.383 -8.137 9.047 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.675 -11.244 7.113 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.859 -12.360 6.643 1.00 0.84 C ATOM 1387 C GLU A 89 -6.420 -11.924 6.555 1.00 0.82 C ATOM 1388 O GLU A 89 -5.492 -12.657 6.910 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.328 -12.832 5.263 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.720 -11.723 4.326 1.00 1.25 C ATOM 1391 CD GLU A 89 -8.066 -11.780 2.990 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -8.433 -12.665 2.198 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -7.166 -10.938 2.729 1.00 2.87 O ATOM 0 H GLU A 89 -9.383 -10.933 6.448 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.959 -13.185 7.348 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.531 -13.416 4.802 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.179 -13.500 5.391 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.801 -11.747 4.188 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.479 -10.768 4.793 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.278 -10.698 6.112 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.009 -10.062 5.931 1.00 0.64 C ATOM 1402 C LEU A 90 -4.198 -10.071 7.240 1.00 0.70 C ATOM 1403 O LEU A 90 -2.973 -10.156 7.228 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.297 -8.632 5.484 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.433 -8.031 4.371 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -3.969 -9.051 3.355 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.240 -6.976 3.663 1.00 1.28 C ATOM 0 H LEU A 90 -7.069 -10.104 5.862 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.412 -10.591 5.188 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.336 -8.588 5.158 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.210 -7.987 6.358 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.539 -7.619 4.839 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.362 -8.558 2.595 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.375 -9.817 3.854 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -4.835 -9.514 2.883 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.642 -6.535 2.865 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.136 -7.428 3.237 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -5.527 -6.200 4.373 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.898 -10.033 8.373 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.266 -9.793 9.661 1.00 0.82 C ATOM 1421 C PHE A 91 -3.925 -11.091 10.374 1.00 0.91 C ATOM 1422 O PHE A 91 -2.927 -11.172 11.089 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.193 -8.947 10.534 1.00 0.88 C ATOM 1424 CG PHE A 91 -4.611 -8.537 11.860 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -3.801 -7.418 11.962 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -4.884 -9.268 13.006 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -3.275 -7.034 13.181 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -4.360 -8.890 14.227 1.00 1.75 C ATOM 1429 CZ PHE A 91 -3.555 -7.773 14.315 1.00 2.23 C ATOM 0 H PHE A 91 -5.908 -10.167 8.420 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.332 -9.260 9.484 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -5.470 -8.049 9.981 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -6.111 -9.507 10.713 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -3.578 -6.839 11.078 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -5.514 -10.143 12.943 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -2.646 -6.158 13.247 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -4.580 -9.468 15.112 1.00 1.75 H new ATOM 0 HZ PHE A 91 -3.144 -7.476 15.269 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.750 -12.100 10.179 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.568 -13.360 10.900 1.00 1.11 C ATOM 1441 C ARG A 92 -3.393 -14.117 10.337 1.00 0.83 C ATOM 1442 O ARG A 92 -2.527 -14.609 11.057 1.00 0.90 O ATOM 1443 CB ARG A 92 -5.779 -14.303 10.791 1.00 1.53 C ATOM 1444 CG ARG A 92 -7.065 -13.659 10.339 1.00 1.62 C ATOM 1445 CD ARG A 92 -7.517 -12.609 11.323 1.00 2.21 C ATOM 1446 NE ARG A 92 -7.781 -13.167 12.649 1.00 3.27 N ATOM 1447 CZ ARG A 92 -8.723 -12.720 13.478 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -9.506 -11.707 13.125 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -8.880 -13.296 14.663 1.00 5.06 N ATOM 0 H ARG A 92 -5.544 -12.082 9.539 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.422 -13.077 11.943 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -5.531 -15.105 10.096 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -5.947 -14.765 11.764 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.924 -13.206 9.357 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -7.839 -14.419 10.231 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -6.753 -11.836 11.402 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.420 -12.127 10.948 1.00 2.21 H new ATOM 0 HE ARG A 92 -7.206 -13.950 12.959 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -9.388 -11.265 12.213 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -10.225 -11.371 13.766 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -8.281 -14.076 14.934 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -9.599 -12.959 15.303 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.375 -14.168 9.029 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.613 -15.170 8.311 1.00 1.10 C ATOM 1465 C ASP A 93 -1.248 -14.666 7.881 1.00 1.31 C ATOM 1466 O ASP A 93 -0.626 -15.227 6.980 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.432 -15.629 7.112 1.00 1.65 C ATOM 1468 CG ASP A 93 -2.944 -16.942 6.522 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.002 -17.974 7.227 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -2.516 -16.960 5.351 1.00 3.12 O ATOM 0 H ASP A 93 -3.885 -13.520 8.429 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.422 -16.009 8.980 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.474 -15.738 7.412 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.401 -14.858 6.342 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.760 -13.625 8.527 1.00 1.11 N ATOM 1476 CA GLY A 94 0.590 -13.207 8.225 1.00 1.69 C ATOM 1477 C GLY A 94 0.772 -11.732 7.929 1.00 1.62 C ATOM 1478 O GLY A 94 1.028 -11.374 6.787 1.00 2.31 O ATOM 0 H GLY A 94 -1.252 -13.076 9.232 1.00 1.11 H new ATOM 0 HA2 GLY A 94 1.229 -13.471 9.068 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.943 -13.777 7.366 1.00 1.69 H new ATOM 1482 N VAL A 95 0.608 -10.860 8.918 1.00 0.85 N ATOM 1483 CA VAL A 95 0.910 -9.449 8.704 1.00 0.67 C ATOM 1484 C VAL A 95 2.419 -9.237 8.636 1.00 0.62 C ATOM 1485 O VAL A 95 3.118 -9.212 9.646 1.00 0.61 O ATOM 1486 CB VAL A 95 0.341 -8.537 9.816 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.658 -7.071 9.525 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.152 -8.741 9.980 1.00 1.06 C ATOM 0 H VAL A 95 0.276 -11.096 9.853 1.00 0.85 H new ATOM 0 HA VAL A 95 0.435 -9.175 7.762 1.00 0.67 H new ATOM 0 HB VAL A 95 0.821 -8.813 10.755 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.249 -6.446 10.319 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.738 -6.935 9.476 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.213 -6.785 8.572 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.524 -8.087 10.768 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.657 -8.504 9.043 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.350 -9.779 10.246 1.00 1.06 H new ATOM 1498 N ASN A 96 2.904 -9.155 7.418 1.00 0.76 N ATOM 1499 CA ASN A 96 4.299 -8.855 7.141 1.00 0.86 C ATOM 1500 C ASN A 96 4.397 -7.487 6.494 1.00 0.72 C ATOM 1501 O ASN A 96 3.391 -6.789 6.350 1.00 0.62 O ATOM 1502 CB ASN A 96 4.904 -9.912 6.213 1.00 1.17 C ATOM 1503 CG ASN A 96 4.045 -10.138 4.995 1.00 1.47 C ATOM 1504 OD1 ASN A 96 4.268 -9.545 3.944 1.00 2.12 O ATOM 1505 ND2 ASN A 96 3.038 -10.975 5.145 1.00 1.67 N ATOM 0 H ASN A 96 2.339 -9.295 6.580 1.00 0.76 H new ATOM 0 HA ASN A 96 4.855 -8.861 8.078 1.00 0.86 H new ATOM 0 HB2 ASN A 96 5.900 -9.597 5.903 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.020 -10.850 6.756 1.00 1.17 H new ATOM 0 HD21 ASN A 96 2.403 -11.153 4.367 1.00 1.67 H new ATOM 0 HD22 ASN A 96 2.894 -11.444 6.039 1.00 1.67 H new ATOM 1512 N TRP A 97 5.599 -7.127 6.081 1.00 0.77 N ATOM 1513 CA TRP A 97 5.838 -5.850 5.428 1.00 0.72 C ATOM 1514 C TRP A 97 5.045 -5.748 4.126 1.00 0.63 C ATOM 1515 O TRP A 97 4.384 -4.746 3.863 1.00 0.59 O ATOM 1516 CB TRP A 97 7.333 -5.681 5.139 1.00 0.86 C ATOM 1517 CG TRP A 97 8.203 -5.831 6.354 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.559 -4.853 7.236 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.841 -7.031 6.809 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.373 -5.369 8.214 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.561 -6.705 7.975 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.870 -8.350 6.348 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.301 -7.648 8.681 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.605 -9.286 7.050 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.311 -8.931 8.206 1.00 3.34 C ATOM 0 H TRP A 97 6.432 -7.706 6.187 1.00 0.77 H new ATOM 0 HA TRP A 97 5.507 -5.056 6.098 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.635 -6.416 4.393 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.501 -4.697 4.702 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.246 -3.821 7.174 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.773 -4.843 8.992 1.00 0.99 H new ATOM 0 HE3 TRP A 97 8.327 -8.633 5.458 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.848 -7.377 9.572 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.635 -10.308 6.702 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.875 -9.686 8.734 1.00 3.34 H new ATOM 1536 N GLY A 98 5.088 -6.812 3.337 1.00 0.69 N ATOM 1537 CA GLY A 98 4.482 -6.796 2.020 1.00 0.69 C ATOM 1538 C GLY A 98 2.972 -6.945 2.048 1.00 0.62 C ATOM 1539 O GLY A 98 2.270 -6.331 1.250 1.00 0.61 O ATOM 0 H GLY A 98 5.536 -7.693 3.588 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.738 -5.861 1.522 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.908 -7.602 1.423 1.00 0.69 H new ATOM 1543 N ARG A 99 2.465 -7.760 2.958 1.00 0.65 N ATOM 1544 CA ARG A 99 1.033 -8.015 3.023 1.00 0.67 C ATOM 1545 C ARG A 99 0.278 -6.739 3.389 1.00 0.53 C ATOM 1546 O ARG A 99 -0.882 -6.562 3.017 1.00 0.55 O ATOM 1547 CB ARG A 99 0.734 -9.152 4.018 1.00 0.82 C ATOM 1548 CG ARG A 99 0.259 -8.702 5.394 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.227 -8.399 5.385 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.712 -7.890 6.661 1.00 2.48 N ATOM 1551 CZ ARG A 99 -2.367 -6.742 6.798 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -2.470 -5.908 5.769 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -2.914 -6.425 7.962 1.00 4.24 N ATOM 0 H ARG A 99 3.018 -8.254 3.658 1.00 0.65 H new ATOM 0 HA ARG A 99 0.688 -8.334 2.039 1.00 0.67 H new ATOM 0 HB2 ARG A 99 -0.025 -9.803 3.584 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.636 -9.752 4.141 1.00 0.82 H new ATOM 0 HG2 ARG A 99 0.471 -9.480 6.128 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.813 -7.815 5.701 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.438 -7.668 4.605 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.776 -9.306 5.130 1.00 1.50 H new ATOM 0 HE ARG A 99 -1.539 -8.447 7.498 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -2.046 -6.149 4.873 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -2.973 -5.027 5.875 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -2.833 -7.062 8.754 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -3.417 -5.544 8.066 1.00 4.24 H new ATOM 1567 N ILE A 100 0.922 -5.853 4.134 1.00 0.44 N ATOM 1568 CA ILE A 100 0.279 -4.609 4.508 1.00 0.36 C ATOM 1569 C ILE A 100 0.093 -3.720 3.283 1.00 0.33 C ATOM 1570 O ILE A 100 -0.939 -3.073 3.143 1.00 0.34 O ATOM 1571 CB ILE A 100 1.037 -3.865 5.630 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.915 -4.640 6.945 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.493 -2.458 5.806 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.590 -3.960 8.116 1.00 0.34 C ATOM 0 H ILE A 100 1.872 -5.971 4.485 1.00 0.44 H new ATOM 0 HA ILE A 100 -0.702 -4.858 4.913 1.00 0.36 H new ATOM 0 HB ILE A 100 2.088 -3.796 5.349 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.141 -4.781 7.177 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.347 -5.632 6.814 1.00 0.33 H new ATOM 0 HG21 ILE A 100 1.041 -1.953 6.601 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.610 -1.903 4.875 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.564 -2.507 6.068 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.462 -4.567 9.012 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.653 -3.843 7.906 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.142 -2.979 8.275 1.00 0.34 H new ATOM 1586 N VAL A 101 1.066 -3.736 2.368 1.00 0.33 N ATOM 1587 CA VAL A 101 0.945 -2.988 1.117 1.00 0.35 C ATOM 1588 C VAL A 101 -0.291 -3.479 0.340 1.00 0.37 C ATOM 1589 O VAL A 101 -0.953 -2.706 -0.356 1.00 0.45 O ATOM 1590 CB VAL A 101 2.215 -3.105 0.227 1.00 0.46 C ATOM 1591 CG1 VAL A 101 3.439 -3.487 1.042 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.991 -4.054 -0.927 1.00 1.32 C ATOM 0 H VAL A 101 1.939 -4.254 2.470 1.00 0.33 H new ATOM 0 HA VAL A 101 0.832 -1.935 1.374 1.00 0.35 H new ATOM 0 HB VAL A 101 2.410 -2.119 -0.196 1.00 0.46 H new ATOM 0 HG11 VAL A 101 4.306 -3.559 0.385 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.622 -2.727 1.802 1.00 1.35 H new ATOM 0 HG13 VAL A 101 3.269 -4.449 1.525 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.897 -4.114 -1.530 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.745 -5.044 -0.542 1.00 1.32 H new ATOM 0 HG23 VAL A 101 1.169 -3.690 -1.543 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.608 -4.770 0.503 1.00 0.37 N ATOM 1603 CA ALA A 102 -1.762 -5.391 -0.149 1.00 0.39 C ATOM 1604 C ALA A 102 -3.060 -4.806 0.369 1.00 0.35 C ATOM 1605 O ALA A 102 -4.031 -4.652 -0.369 1.00 0.34 O ATOM 1606 CB ALA A 102 -1.758 -6.887 0.082 1.00 0.44 C ATOM 0 H ALA A 102 -0.072 -5.410 1.089 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.687 -5.189 -1.217 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -2.623 -7.333 -0.409 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -0.845 -7.316 -0.330 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -1.804 -7.090 1.152 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.058 -4.484 1.650 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.200 -3.868 2.297 1.00 0.34 C ATOM 1614 C PHE A 103 -4.509 -2.524 1.640 1.00 0.31 C ATOM 1615 O PHE A 103 -5.666 -2.124 1.529 1.00 0.32 O ATOM 1616 CB PHE A 103 -3.898 -3.730 3.795 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.742 -2.732 4.536 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -5.981 -3.098 5.041 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.308 -1.431 4.711 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.767 -2.184 5.709 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.093 -0.513 5.381 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.278 -0.887 5.925 1.00 1.49 C ATOM 0 H PHE A 103 -2.264 -4.643 2.270 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.089 -4.488 2.183 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.024 -4.706 4.265 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.851 -3.452 3.913 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.334 -4.110 4.909 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.347 -1.130 4.321 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.749 -2.463 6.062 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.761 0.511 5.472 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.844 -0.188 6.523 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.465 -1.852 1.175 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.623 -0.609 0.433 1.00 0.40 C ATOM 1634 C PHE A 104 -3.987 -0.898 -1.012 1.00 0.39 C ATOM 1635 O PHE A 104 -4.765 -0.170 -1.619 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.344 0.220 0.484 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.945 0.594 1.874 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -1.127 -0.232 2.618 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -2.381 1.778 2.430 1.00 1.79 C ATOM 1640 CE1 PHE A 104 -0.756 0.119 3.898 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -2.013 2.133 3.707 1.00 2.90 C ATOM 1642 CZ PHE A 104 -1.208 1.269 4.452 1.00 3.29 C ATOM 0 H PHE A 104 -2.497 -2.148 1.299 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.428 -0.040 0.898 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.535 -0.342 0.019 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.482 1.127 -0.105 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -0.775 -1.161 2.194 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -3.019 2.434 1.856 1.00 1.79 H new ATOM 0 HE1 PHE A 104 -0.101 -0.527 4.463 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -2.343 3.071 4.129 1.00 2.90 H new ATOM 0 HZ PHE A 104 -0.946 1.518 5.470 1.00 3.29 H new ATOM 1652 N SER A 105 -3.423 -1.969 -1.552 1.00 0.37 N ATOM 1653 CA SER A 105 -3.684 -2.362 -2.929 1.00 0.44 C ATOM 1654 C SER A 105 -5.162 -2.674 -3.128 1.00 0.40 C ATOM 1655 O SER A 105 -5.818 -2.104 -3.997 1.00 0.45 O ATOM 1656 CB SER A 105 -2.833 -3.577 -3.299 1.00 0.50 C ATOM 1657 OG SER A 105 -1.458 -3.334 -3.045 1.00 1.19 O ATOM 0 H SER A 105 -2.779 -2.584 -1.055 1.00 0.37 H new ATOM 0 HA SER A 105 -3.417 -1.531 -3.582 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.164 -4.444 -2.728 1.00 0.50 H new ATOM 0 HB3 SER A 105 -2.975 -3.817 -4.353 1.00 0.50 H new ATOM 0 HG SER A 105 -1.314 -3.245 -2.080 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.688 -3.560 -2.293 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.080 -3.970 -2.393 1.00 0.37 C ATOM 1665 C PHE A 106 -7.998 -2.858 -1.899 1.00 0.31 C ATOM 1666 O PHE A 106 -9.094 -2.672 -2.415 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.310 -5.247 -1.587 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.588 -5.954 -1.934 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.680 -6.731 -3.076 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.699 -5.835 -1.116 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.857 -7.379 -3.393 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -10.878 -6.479 -1.429 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.944 -7.269 -2.582 1.00 2.89 C ATOM 0 H PHE A 106 -5.170 -4.009 -1.538 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.312 -4.169 -3.439 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.473 -5.926 -1.751 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.318 -5.000 -0.525 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.823 -6.831 -3.725 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.642 -5.231 -0.223 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.915 -7.977 -4.290 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.742 -6.374 -0.790 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.857 -7.791 -2.828 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.533 -2.111 -0.908 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.306 -1.006 -0.382 1.00 0.28 C ATOM 1685 C GLY A 107 -8.436 0.118 -1.386 1.00 0.24 C ATOM 1686 O GLY A 107 -9.520 0.669 -1.585 1.00 0.27 O ATOM 0 H GLY A 107 -6.629 -2.252 -0.457 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.298 -1.358 -0.101 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.832 -0.630 0.525 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.324 0.452 -2.025 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.342 1.448 -3.068 1.00 0.22 C ATOM 1692 C GLY A 108 -8.154 0.981 -4.251 1.00 0.22 C ATOM 1693 O GLY A 108 -8.784 1.777 -4.950 1.00 0.23 O ATOM 0 H GLY A 108 -6.407 0.047 -1.836 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.759 2.377 -2.680 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.322 1.665 -3.386 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.141 -0.325 -4.466 1.00 0.24 N ATOM 1698 CA ALA A 109 -8.929 -0.938 -5.516 1.00 0.26 C ATOM 1699 C ALA A 109 -10.405 -0.836 -5.180 1.00 0.27 C ATOM 1700 O ALA A 109 -11.237 -0.638 -6.063 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.526 -2.391 -5.699 1.00 0.29 C ATOM 0 H ALA A 109 -7.586 -0.984 -3.920 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.744 -0.410 -6.451 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.127 -2.838 -6.491 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.471 -2.445 -5.969 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.690 -2.934 -4.768 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.715 -0.930 -3.889 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.093 -0.881 -3.427 1.00 0.28 C ATOM 1709 C LEU A 110 -12.697 0.470 -3.732 1.00 0.24 C ATOM 1710 O LEU A 110 -13.888 0.601 -4.020 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.175 -1.121 -1.937 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.416 -1.887 -1.529 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -13.022 -3.240 -0.981 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -14.249 -1.097 -0.547 1.00 1.12 C ATOM 0 H LEU A 110 -10.026 -1.041 -3.145 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.644 -1.664 -3.948 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.292 -1.672 -1.614 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.160 -0.162 -1.419 1.00 0.32 H new ATOM 0 HG LEU A 110 -14.041 -2.045 -2.408 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -13.917 -3.789 -0.688 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -12.487 -3.801 -1.747 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -12.378 -3.107 -0.112 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -15.133 -1.673 -0.273 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.660 -0.890 0.346 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -14.557 -0.157 -1.005 1.00 1.12 H new ATOM 1726 N CYS A 111 -11.859 1.480 -3.624 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.209 2.821 -4.026 1.00 0.19 C ATOM 1728 C CYS A 111 -12.734 2.802 -5.458 1.00 0.20 C ATOM 1729 O CYS A 111 -13.811 3.322 -5.740 1.00 0.26 O ATOM 1730 CB CYS A 111 -10.977 3.702 -3.889 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.197 5.403 -4.420 1.00 0.22 S ATOM 0 H CYS A 111 -10.913 1.391 -3.253 1.00 0.21 H new ATOM 0 HA CYS A 111 -12.998 3.225 -3.391 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.662 3.701 -2.845 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.166 3.259 -4.467 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.250 6.140 -3.920 1.00 0.22 H new ATOM 1737 N VAL A 112 -11.992 2.148 -6.349 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.434 1.977 -7.725 1.00 0.22 C ATOM 1739 C VAL A 112 -13.691 1.121 -7.780 1.00 0.22 C ATOM 1740 O VAL A 112 -14.577 1.387 -8.581 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.342 1.355 -8.625 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.853 1.162 -10.048 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.111 2.236 -8.648 1.00 0.27 C ATOM 0 H VAL A 112 -11.085 1.730 -6.141 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.651 2.974 -8.110 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.083 0.381 -8.209 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.066 0.723 -10.661 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.717 0.498 -10.037 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.142 2.127 -10.465 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.352 1.784 -9.286 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.374 3.219 -9.038 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.719 2.340 -7.636 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.770 0.114 -6.917 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.957 -0.733 -6.834 1.00 0.28 C ATOM 1755 C GLU A 113 -16.203 0.100 -6.566 1.00 0.23 C ATOM 1756 O GLU A 113 -17.285 -0.194 -7.079 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.795 -1.812 -5.753 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.723 -2.835 -6.092 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.588 -3.933 -5.064 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.288 -4.956 -5.186 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.782 -3.761 -4.128 1.00 2.51 O ATOM 0 H GLU A 113 -13.027 -0.137 -6.265 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.074 -1.230 -7.797 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.547 -1.335 -4.805 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.747 -2.324 -5.613 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -13.952 -3.281 -7.060 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.765 -2.325 -6.194 1.00 0.53 H new ATOM 1768 N SER A 114 -16.045 1.157 -5.791 1.00 0.18 N ATOM 1769 CA SER A 114 -17.155 2.030 -5.470 1.00 0.19 C ATOM 1770 C SER A 114 -17.418 2.972 -6.631 1.00 0.22 C ATOM 1771 O SER A 114 -18.556 3.253 -6.977 1.00 0.28 O ATOM 1772 CB SER A 114 -16.846 2.812 -4.199 1.00 0.18 C ATOM 1773 OG SER A 114 -16.532 1.930 -3.135 1.00 0.20 O ATOM 0 H SER A 114 -15.156 1.431 -5.372 1.00 0.18 H new ATOM 0 HA SER A 114 -18.051 1.433 -5.298 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.010 3.489 -4.376 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.703 3.428 -3.927 1.00 0.18 H new ATOM 0 HG SER A 114 -15.658 1.519 -3.298 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.348 3.398 -7.270 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.429 4.328 -8.382 1.00 0.27 C ATOM 1781 C VAL A 115 -17.059 3.635 -9.574 1.00 0.28 C ATOM 1782 O VAL A 115 -17.768 4.238 -10.379 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.024 4.820 -8.758 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -15.057 5.722 -9.971 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.390 5.527 -7.580 1.00 1.10 C ATOM 0 H VAL A 115 -15.398 3.111 -7.035 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.040 5.183 -8.090 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.419 3.951 -9.016 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -14.045 6.051 -10.208 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.469 5.176 -10.820 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.681 6.591 -9.762 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.394 5.872 -7.856 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -15.004 6.381 -7.295 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.315 4.837 -6.739 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.786 2.352 -9.641 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.268 1.481 -10.688 1.00 0.34 C ATOM 1797 C ASP A 116 -18.785 1.507 -10.773 1.00 0.35 C ATOM 1798 O ASP A 116 -19.357 1.703 -11.843 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.793 0.071 -10.378 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.061 -0.897 -11.510 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.572 -0.661 -12.631 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.762 -1.905 -11.281 1.00 0.60 O ATOM 0 H ASP A 116 -16.208 1.873 -8.951 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.880 1.820 -11.649 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.724 0.090 -10.167 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.290 -0.285 -9.475 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.429 1.326 -9.631 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.882 1.315 -9.560 1.00 0.35 C ATOM 1809 C LYS A 117 -21.424 2.736 -9.412 1.00 0.34 C ATOM 1810 O LYS A 117 -22.593 2.928 -9.078 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.347 0.464 -8.376 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.401 -0.672 -8.008 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.159 -1.615 -9.168 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.384 -2.840 -8.723 1.00 0.61 C ATOM 1815 NZ LYS A 117 -19.058 -3.732 -9.866 1.00 1.62 N ATOM 0 H LYS A 117 -18.964 1.184 -8.734 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.265 0.885 -10.486 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.474 1.110 -7.508 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.326 0.045 -8.608 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.450 -0.257 -7.675 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.816 -1.230 -7.169 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.113 -1.921 -9.597 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.608 -1.097 -9.953 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.463 -2.528 -8.231 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.968 -3.392 -7.986 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.778 -4.667 -9.508 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -19.893 -3.831 -10.478 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.274 -3.322 -10.414 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.556 3.720 -9.659 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.904 5.136 -9.538 1.00 0.33 C ATOM 1831 C GLU A 118 -21.289 5.470 -8.102 1.00 0.31 C ATOM 1832 O GLU A 118 -22.297 6.125 -7.840 1.00 0.38 O ATOM 1833 CB GLU A 118 -22.029 5.510 -10.502 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.668 5.296 -11.960 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.740 5.805 -12.894 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.792 5.142 -13.014 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -22.541 6.875 -13.504 1.00 1.07 O ATOM 0 H GLU A 118 -19.592 3.556 -9.949 1.00 0.31 H new ATOM 0 HA GLU A 118 -20.026 5.725 -9.805 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.913 4.919 -10.264 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.295 6.556 -10.351 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.728 5.803 -12.178 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.506 4.233 -12.140 1.00 0.49 H new ATOM 1844 N MET A 119 -20.445 5.029 -7.187 1.00 0.26 N ATOM 1845 CA MET A 119 -20.651 5.213 -5.758 1.00 0.26 C ATOM 1846 C MET A 119 -19.405 5.860 -5.187 1.00 0.25 C ATOM 1847 O MET A 119 -18.899 5.471 -4.140 1.00 0.23 O ATOM 1848 CB MET A 119 -20.886 3.865 -5.072 1.00 0.25 C ATOM 1849 CG MET A 119 -21.993 3.032 -5.691 1.00 0.28 C ATOM 1850 SD MET A 119 -22.135 1.409 -4.918 1.00 0.31 S ATOM 1851 CE MET A 119 -20.434 0.855 -5.020 1.00 0.29 C ATOM 0 H MET A 119 -19.587 4.527 -7.416 1.00 0.26 H new ATOM 0 HA MET A 119 -21.526 5.840 -5.588 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.959 3.292 -5.097 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.124 4.041 -4.023 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.941 3.562 -5.597 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.801 2.910 -6.757 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.411 -0.228 -5.138 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.949 1.324 -5.876 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.906 1.132 -4.107 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.917 6.854 -5.903 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.644 7.486 -5.621 1.00 0.31 C ATOM 1863 C GLN A 120 -17.591 8.153 -4.246 1.00 0.32 C ATOM 1864 O GLN A 120 -16.541 8.623 -3.822 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.354 8.489 -6.715 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.600 7.912 -8.094 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.955 8.279 -8.657 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.921 8.475 -7.920 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -19.035 8.358 -9.969 1.00 0.55 N ATOM 0 H GLN A 120 -19.401 7.251 -6.708 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.880 6.709 -5.599 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.980 9.370 -6.574 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.318 8.818 -6.639 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.823 8.265 -8.773 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.514 6.826 -8.048 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.208 8.188 -10.542 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.924 8.590 -10.413 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.718 8.203 -3.556 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.755 8.752 -2.209 1.00 0.35 C ATOM 1880 C VAL A 121 -17.942 7.888 -1.241 1.00 0.31 C ATOM 1881 O VAL A 121 -17.443 8.376 -0.231 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.200 8.884 -1.688 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -21.003 9.822 -2.570 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.868 7.521 -1.610 1.00 0.38 C ATOM 0 H VAL A 121 -19.618 7.871 -3.904 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.312 9.747 -2.261 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.164 9.306 -0.683 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.020 9.902 -2.186 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.537 10.808 -2.572 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -21.029 9.431 -3.587 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.887 7.636 -1.240 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.891 7.070 -2.602 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.306 6.879 -0.932 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.792 6.607 -1.569 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.043 5.682 -0.722 1.00 0.21 C ATOM 1896 C LEU A 122 -15.564 5.942 -0.834 1.00 0.19 C ATOM 1897 O LEU A 122 -14.814 5.634 0.077 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.321 4.221 -1.083 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.681 3.676 -0.657 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -18.986 4.085 0.773 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.768 4.141 -1.605 1.00 0.22 C ATOM 0 H LEU A 122 -18.179 6.186 -2.414 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.374 5.853 0.302 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.229 4.110 -2.163 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.546 3.602 -0.632 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.650 2.587 -0.700 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.959 3.690 1.065 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.219 3.687 1.437 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -18.999 5.173 0.845 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.729 3.740 -1.282 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.810 5.230 -1.604 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.548 3.787 -2.612 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.158 6.508 -1.956 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.759 6.822 -2.213 1.00 0.20 C ATOM 1915 C VAL A 123 -13.078 7.460 -1.002 1.00 0.22 C ATOM 1916 O VAL A 123 -12.047 6.977 -0.533 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.657 7.754 -3.431 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.261 8.328 -3.588 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.061 6.989 -4.672 1.00 0.23 C ATOM 0 H VAL A 123 -15.787 6.764 -2.717 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.239 5.886 -2.417 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.331 8.597 -3.280 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.232 8.981 -4.460 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.001 8.900 -2.698 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.546 7.516 -3.719 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.992 7.643 -5.541 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.396 6.136 -4.806 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.087 6.636 -4.564 1.00 0.23 H new ATOM 1929 N SER A 124 -13.671 8.519 -0.481 1.00 0.24 N ATOM 1930 CA SER A 124 -13.084 9.240 0.638 1.00 0.28 C ATOM 1931 C SER A 124 -13.334 8.494 1.954 1.00 0.27 C ATOM 1932 O SER A 124 -12.598 8.658 2.928 1.00 0.33 O ATOM 1933 CB SER A 124 -13.671 10.655 0.695 1.00 0.36 C ATOM 1934 OG SER A 124 -12.881 11.529 1.484 1.00 1.35 O ATOM 0 H SER A 124 -14.557 8.900 -0.813 1.00 0.24 H new ATOM 0 HA SER A 124 -12.006 9.307 0.495 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.753 11.054 -0.316 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.681 10.612 1.103 1.00 0.36 H new ATOM 0 HG SER A 124 -13.289 12.420 1.493 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.359 7.649 1.961 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.741 6.908 3.157 1.00 0.23 C ATOM 1942 C ARG A 125 -13.832 5.706 3.364 1.00 0.21 C ATOM 1943 O ARG A 125 -13.400 5.429 4.479 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.183 6.428 3.044 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.165 7.529 2.717 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.589 7.054 2.856 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.547 8.122 2.587 1.00 1.44 N ATOM 1948 CZ ARG A 125 -20.797 8.128 3.040 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.211 7.175 3.864 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -21.626 9.105 2.698 1.00 2.67 N ATOM 0 H ARG A 125 -14.943 7.460 1.147 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.644 7.579 4.010 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.242 5.660 2.273 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.475 5.959 3.984 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -16.996 8.378 3.380 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -16.995 7.880 1.699 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.765 6.227 2.168 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.747 6.670 3.864 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.239 8.910 2.018 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.570 6.435 4.151 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.170 7.182 4.210 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.305 9.855 2.086 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -22.584 9.106 3.047 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.579 4.982 2.286 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.713 3.814 2.321 1.00 0.19 C ATOM 1966 C ILE A 126 -11.340 4.176 2.869 1.00 0.20 C ATOM 1967 O ILE A 126 -10.827 3.498 3.758 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.582 3.184 0.917 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -13.972 2.769 0.424 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.637 1.991 0.950 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.025 2.288 -1.006 1.00 0.18 C ATOM 0 H ILE A 126 -13.966 5.186 1.365 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.167 3.079 2.986 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.162 3.916 0.228 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.349 1.978 1.072 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.647 3.618 0.531 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.558 1.561 -0.049 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.652 2.316 1.284 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.023 1.240 1.639 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.050 2.018 -1.261 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.683 3.082 -1.670 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.381 1.416 -1.121 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.763 5.259 2.363 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.459 5.712 2.830 1.00 0.24 C ATOM 1985 C ALA A 127 -9.487 6.011 4.322 1.00 0.24 C ATOM 1986 O ALA A 127 -8.511 5.767 5.033 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.017 6.938 2.059 1.00 0.27 C ATOM 0 H ALA A 127 -11.176 5.838 1.632 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.742 4.910 2.656 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.041 7.263 2.420 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -8.949 6.696 0.998 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.742 7.739 2.202 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.614 6.539 4.783 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.828 6.797 6.201 1.00 0.22 C ATOM 1995 C ALA A 128 -10.686 5.519 6.996 1.00 0.23 C ATOM 1996 O ALA A 128 -9.851 5.408 7.896 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.220 7.346 6.425 1.00 0.23 C ATOM 0 H ALA A 128 -11.401 6.799 4.188 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.082 7.521 6.530 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.370 7.535 7.488 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.338 8.277 5.870 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.957 6.622 6.078 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.523 4.559 6.635 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.565 3.269 7.288 1.00 0.35 C ATOM 2005 C TRP A 129 -10.188 2.611 7.251 1.00 0.25 C ATOM 2006 O TRP A 129 -9.680 2.147 8.272 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.574 2.368 6.578 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.958 2.934 6.448 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.630 3.716 7.343 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.850 2.732 5.346 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.878 4.029 6.847 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -16.035 3.432 5.628 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.756 2.029 4.141 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -17.116 3.451 4.752 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.829 2.046 3.273 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.994 2.754 3.582 1.00 3.91 C ATOM 0 H TRP A 129 -12.195 4.658 5.875 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.864 3.411 8.327 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.196 2.142 5.581 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.635 1.423 7.117 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.242 4.041 8.297 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.572 4.612 7.315 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.858 1.482 3.893 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -18.018 3.996 4.988 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -15.768 1.504 2.341 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -17.816 2.750 2.881 1.00 3.91 H new ATOM 2027 N MET A 130 -9.585 2.603 6.065 1.00 0.24 N ATOM 2028 CA MET A 130 -8.296 1.955 5.843 1.00 0.26 C ATOM 2029 C MET A 130 -7.211 2.536 6.736 1.00 0.25 C ATOM 2030 O MET A 130 -6.547 1.811 7.479 1.00 0.29 O ATOM 2031 CB MET A 130 -7.883 2.100 4.381 1.00 0.31 C ATOM 2032 CG MET A 130 -8.758 1.320 3.422 1.00 0.29 C ATOM 2033 SD MET A 130 -8.354 1.666 1.705 1.00 1.08 S ATOM 2034 CE MET A 130 -6.655 1.121 1.659 1.00 0.31 C ATOM 0 H MET A 130 -9.975 3.045 5.233 1.00 0.24 H new ATOM 0 HA MET A 130 -8.412 0.900 6.093 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.910 3.155 4.108 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.851 1.768 4.269 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.643 0.253 3.613 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.804 1.566 3.605 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.296 1.134 0.630 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.042 1.788 2.266 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.587 0.107 2.054 1.00 0.31 H new ATOM 2044 N ALA A 131 -7.036 3.847 6.664 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.991 4.515 7.421 1.00 0.24 C ATOM 2046 C ALA A 131 -6.184 4.328 8.920 1.00 0.24 C ATOM 2047 O ALA A 131 -5.215 4.141 9.655 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.941 5.986 7.071 1.00 0.25 C ATOM 0 H ALA A 131 -7.605 4.468 6.089 1.00 0.24 H new ATOM 0 HA ALA A 131 -5.039 4.059 7.149 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.153 6.471 7.647 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.735 6.100 6.007 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.899 6.449 7.307 1.00 0.25 H new ATOM 2054 N THR A 132 -7.428 4.368 9.374 1.00 0.26 N ATOM 2055 CA THR A 132 -7.714 4.125 10.776 1.00 0.29 C ATOM 2056 C THR A 132 -7.378 2.687 11.153 1.00 0.30 C ATOM 2057 O THR A 132 -6.739 2.436 12.175 1.00 0.32 O ATOM 2058 CB THR A 132 -9.185 4.389 11.122 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.486 5.781 10.977 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.469 3.931 12.543 1.00 0.40 C ATOM 0 H THR A 132 -8.246 4.564 8.797 1.00 0.26 H new ATOM 0 HA THR A 132 -7.092 4.819 11.342 1.00 0.29 H new ATOM 0 HB THR A 132 -9.818 3.826 10.436 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.675 5.979 10.036 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.515 4.121 12.784 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.264 2.864 12.629 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.832 4.480 13.236 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.823 1.744 10.331 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.528 0.340 10.560 1.00 0.32 C ATOM 2070 C TYR A 133 -6.025 0.117 10.642 1.00 0.32 C ATOM 2071 O TYR A 133 -5.556 -0.698 11.430 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.156 -0.528 9.472 1.00 0.33 C ATOM 2073 CG TYR A 133 -9.520 -1.063 9.847 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -9.661 -2.104 10.755 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -10.668 -0.531 9.277 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -10.909 -2.599 11.085 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -11.918 -1.018 9.604 1.00 1.93 C ATOM 2078 CZ TYR A 133 -12.023 -2.041 10.564 1.00 2.40 C ATOM 2079 OH TYR A 133 -13.281 -2.543 10.827 1.00 3.13 O ATOM 0 H TYR A 133 -8.388 1.928 9.502 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.965 0.046 11.514 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.242 0.056 8.555 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.492 -1.365 9.256 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -8.781 -2.534 11.211 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.582 0.277 8.566 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -10.993 -3.436 11.763 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -12.802 -0.619 9.130 1.00 1.93 H new ATOM 0 HH TYR A 133 -13.953 -2.003 10.361 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.265 0.856 9.845 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.818 0.865 9.993 1.00 0.30 C ATOM 2091 C LEU A 134 -3.469 1.411 11.373 1.00 0.32 C ATOM 2092 O LEU A 134 -2.835 0.733 12.175 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.152 1.735 8.916 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.672 1.433 8.648 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.172 2.228 7.463 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.821 1.760 9.860 1.00 0.88 C ATOM 0 H LEU A 134 -5.622 1.451 9.097 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.449 -0.154 9.879 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.704 1.615 7.984 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.245 2.781 9.209 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.589 0.368 8.432 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.120 2.000 7.289 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.751 1.965 6.578 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.283 3.293 7.666 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.223 1.536 9.642 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.923 2.818 10.101 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.151 1.161 10.709 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.917 2.632 11.630 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.616 3.352 12.868 1.00 0.35 C ATOM 2110 C ASN A 135 -3.850 2.508 14.115 1.00 0.38 C ATOM 2111 O ASN A 135 -3.014 2.486 15.019 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.466 4.622 12.946 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.766 5.838 12.384 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.045 6.538 13.093 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -3.980 6.101 11.108 1.00 0.34 N ATOM 0 H ASN A 135 -4.504 3.158 10.983 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.555 3.602 12.841 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.398 4.463 12.403 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.732 4.811 13.986 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.539 6.912 10.674 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.586 5.493 10.557 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.976 1.817 14.168 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.336 1.066 15.363 1.00 0.42 C ATOM 2124 C ASP A 136 -4.783 -0.358 15.334 1.00 0.40 C ATOM 2125 O ASP A 136 -4.215 -0.833 16.314 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.856 1.027 15.520 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.290 0.247 16.744 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.134 0.760 17.868 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.790 -0.886 16.585 1.00 0.58 O ATOM 0 H ASP A 136 -5.652 1.759 13.407 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.890 1.578 16.216 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.238 2.046 15.587 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.299 0.579 14.631 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.940 -1.024 14.202 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.654 -2.452 14.099 1.00 0.38 C ATOM 2136 C HIS A 137 -3.215 -2.728 13.671 1.00 0.35 C ATOM 2137 O HIS A 137 -2.515 -3.538 14.280 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.621 -3.084 13.094 1.00 0.40 C ATOM 2139 CG HIS A 137 -7.029 -3.207 13.597 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.645 -4.412 13.854 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -7.950 -2.254 13.877 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.880 -4.195 14.269 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -9.087 -2.894 14.292 1.00 1.34 N ATOM 0 H HIS A 137 -5.266 -0.598 13.334 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.786 -2.891 15.088 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.623 -2.487 12.182 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -5.254 -4.075 12.826 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -7.813 -1.186 13.789 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.598 -4.954 14.543 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -9.954 -2.437 14.574 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.788 -2.053 12.618 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.551 -2.365 11.941 1.00 0.29 C ATOM 2154 C LEU A 138 -0.344 -1.650 12.512 1.00 0.27 C ATOM 2155 O LEU A 138 0.714 -2.251 12.662 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.724 -1.980 10.492 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.811 -3.138 9.529 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.290 -4.405 10.222 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.729 -2.784 8.379 1.00 1.20 C ATOM 0 H LEU A 138 -3.296 -1.269 12.210 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.354 -3.429 12.070 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.629 -1.380 10.397 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.888 -1.345 10.198 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.811 -3.333 9.142 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.341 -5.219 9.498 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.594 -4.670 11.018 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.279 -4.235 10.647 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.787 -3.625 7.688 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.724 -2.561 8.763 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.338 -1.911 7.857 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.507 -0.366 12.786 1.00 0.30 N ATOM 2172 CA GLU A 139 0.591 0.491 13.235 1.00 0.31 C ATOM 2173 C GLU A 139 1.478 -0.183 14.292 1.00 0.30 C ATOM 2174 O GLU A 139 2.694 -0.247 14.107 1.00 0.30 O ATOM 2175 CB GLU A 139 0.064 1.822 13.760 1.00 0.38 C ATOM 2176 CG GLU A 139 1.161 2.839 14.004 1.00 0.40 C ATOM 2177 CD GLU A 139 0.646 4.092 14.673 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.397 4.066 15.894 1.00 0.61 O ATOM 2179 OE2 GLU A 139 0.489 5.114 13.982 1.00 0.75 O ATOM 0 H GLU A 139 -1.402 0.117 12.705 1.00 0.30 H new ATOM 0 HA GLU A 139 1.216 0.674 12.361 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.650 2.231 13.045 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.478 1.650 14.690 1.00 0.38 H new ATOM 0 HG2 GLU A 139 1.936 2.391 14.625 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.626 3.102 13.054 1.00 0.40 H new ATOM 2186 N PRO A 140 0.906 -0.708 15.404 1.00 0.32 N ATOM 2187 CA PRO A 140 1.695 -1.404 16.425 1.00 0.34 C ATOM 2188 C PRO A 140 2.521 -2.535 15.821 1.00 0.32 C ATOM 2189 O PRO A 140 3.727 -2.623 16.048 1.00 0.34 O ATOM 2190 CB PRO A 140 0.648 -1.960 17.397 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.660 -1.842 16.690 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.521 -0.673 15.762 1.00 0.36 C ATOM 0 HA PRO A 140 2.412 -0.740 16.908 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.863 -2.998 17.653 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.641 -1.396 18.330 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -0.889 -2.754 16.138 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -1.474 -1.684 17.398 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.160 -0.775 14.885 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.793 0.264 16.248 1.00 0.36 H new ATOM 2200 N TRP A 141 1.858 -3.368 15.028 1.00 0.31 N ATOM 2201 CA TRP A 141 2.490 -4.485 14.329 1.00 0.32 C ATOM 2202 C TRP A 141 3.647 -3.986 13.469 1.00 0.31 C ATOM 2203 O TRP A 141 4.766 -4.468 13.578 1.00 0.36 O ATOM 2204 CB TRP A 141 1.446 -5.179 13.455 1.00 0.35 C ATOM 2205 CG TRP A 141 1.771 -6.600 13.139 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.715 -7.050 12.269 1.00 0.43 C ATOM 2207 CD2 TRP A 141 1.137 -7.761 13.684 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.708 -8.418 12.238 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.750 -8.881 13.099 1.00 0.70 C ATOM 2210 CE3 TRP A 141 0.113 -7.962 14.611 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 1.373 -10.185 13.409 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.261 -9.257 14.918 1.00 1.19 C ATOM 2213 CH2 TRP A 141 0.368 -10.353 14.319 1.00 1.20 C ATOM 0 H TRP A 141 0.857 -3.288 14.849 1.00 0.31 H new ATOM 0 HA TRP A 141 2.886 -5.192 15.058 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.481 -5.141 13.960 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.340 -4.625 12.522 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.373 -6.420 11.688 1.00 0.43 H new ATOM 0 HE1 TRP A 141 3.319 -9.000 11.665 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.378 -7.122 15.080 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 1.857 -11.033 12.947 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.053 -9.425 15.633 1.00 1.19 H new ATOM 0 HH2 TRP A 141 0.053 -11.352 14.581 1.00 1.20 H new ATOM 2224 N ILE A 142 3.359 -3.006 12.629 1.00 0.26 N ATOM 2225 CA ILE A 142 4.361 -2.363 11.783 1.00 0.26 C ATOM 2226 C ILE A 142 5.619 -2.007 12.566 1.00 0.29 C ATOM 2227 O ILE A 142 6.732 -2.359 12.173 1.00 0.32 O ATOM 2228 CB ILE A 142 3.758 -1.089 11.170 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.698 -1.483 10.153 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.829 -0.208 10.544 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.676 -0.412 9.901 1.00 0.26 C ATOM 0 H ILE A 142 2.419 -2.629 12.511 1.00 0.26 H new ATOM 0 HA ILE A 142 4.646 -3.065 11.000 1.00 0.26 H new ATOM 0 HB ILE A 142 3.295 -0.499 11.960 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.186 -1.736 9.212 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.190 -2.383 10.500 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.365 0.683 10.121 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.550 0.085 11.307 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.340 -0.761 9.755 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.953 -0.765 9.165 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.160 -0.175 10.832 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.172 0.482 9.523 1.00 0.26 H new ATOM 2243 N GLN A 143 5.429 -1.307 13.672 1.00 0.30 N ATOM 2244 CA GLN A 143 6.535 -0.879 14.517 1.00 0.35 C ATOM 2245 C GLN A 143 7.334 -2.071 15.055 1.00 0.39 C ATOM 2246 O GLN A 143 8.546 -1.976 15.237 1.00 0.43 O ATOM 2247 CB GLN A 143 6.008 -0.030 15.668 1.00 0.41 C ATOM 2248 CG GLN A 143 5.152 1.133 15.201 1.00 0.43 C ATOM 2249 CD GLN A 143 5.881 2.060 14.252 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.100 2.223 14.327 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.136 2.665 13.343 1.00 0.52 N ATOM 0 H GLN A 143 4.510 -1.020 14.009 1.00 0.30 H new ATOM 0 HA GLN A 143 7.213 -0.282 13.907 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.422 -0.659 16.338 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.850 0.354 16.245 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.260 0.746 14.708 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.816 1.701 16.068 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.130 2.501 13.317 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.568 3.296 12.668 1.00 0.52 H new ATOM 2260 N GLU A 144 6.658 -3.197 15.285 1.00 0.40 N ATOM 2261 CA GLU A 144 7.315 -4.418 15.748 1.00 0.47 C ATOM 2262 C GLU A 144 8.267 -4.948 14.682 1.00 0.48 C ATOM 2263 O GLU A 144 9.200 -5.700 14.965 1.00 0.55 O ATOM 2264 CB GLU A 144 6.259 -5.477 16.042 1.00 0.51 C ATOM 2265 CG GLU A 144 5.178 -5.004 16.981 1.00 0.52 C ATOM 2266 CD GLU A 144 5.613 -4.975 18.429 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.511 -6.017 19.111 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.075 -3.916 18.894 1.00 0.67 O ATOM 0 H GLU A 144 5.650 -3.288 15.157 1.00 0.40 H new ATOM 0 HA GLU A 144 7.883 -4.191 16.650 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.802 -5.793 15.104 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.744 -6.353 16.471 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.861 -4.004 16.684 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.310 -5.656 16.883 1.00 0.52 H new ATOM 2275 N ASN A 145 8.018 -4.534 13.458 1.00 0.44 N ATOM 2276 CA ASN A 145 8.749 -5.021 12.304 1.00 0.48 C ATOM 2277 C ASN A 145 9.677 -3.941 11.784 1.00 0.47 C ATOM 2278 O ASN A 145 10.265 -4.060 10.708 1.00 0.57 O ATOM 2279 CB ASN A 145 7.760 -5.469 11.233 1.00 0.49 C ATOM 2280 CG ASN A 145 6.985 -6.694 11.676 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.322 -7.822 11.320 1.00 0.93 O ATOM 2282 ND2 ASN A 145 5.963 -6.480 12.491 1.00 0.54 N ATOM 0 H ASN A 145 7.299 -3.846 13.233 1.00 0.44 H new ATOM 0 HA ASN A 145 9.362 -5.877 12.587 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.067 -4.657 11.013 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.296 -5.689 10.310 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.422 -7.267 12.848 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.717 -5.528 12.761 1.00 0.54 H new ATOM 2289 N GLY A 146 9.792 -2.881 12.567 1.00 0.42 N ATOM 2290 CA GLY A 146 10.763 -1.853 12.295 1.00 0.45 C ATOM 2291 C GLY A 146 10.150 -0.484 12.104 1.00 0.44 C ATOM 2292 O GLY A 146 10.776 0.533 12.407 1.00 0.56 O ATOM 0 H GLY A 146 9.220 -2.717 13.396 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.477 -1.812 13.117 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.323 -2.120 11.399 1.00 0.45 H new ATOM 2296 N GLY A 147 8.923 -0.449 11.617 1.00 0.36 N ATOM 2297 CA GLY A 147 8.285 0.816 11.312 1.00 0.36 C ATOM 2298 C GLY A 147 8.166 1.023 9.820 1.00 0.38 C ATOM 2299 O GLY A 147 8.811 0.314 9.048 1.00 0.49 O ATOM 0 H GLY A 147 8.354 -1.274 11.426 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.294 0.845 11.766 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.861 1.631 11.750 1.00 0.36 H new ATOM 2303 N TRP A 148 7.357 1.993 9.410 1.00 0.35 N ATOM 2304 CA TRP A 148 7.074 2.219 7.999 1.00 0.37 C ATOM 2305 C TRP A 148 8.331 2.466 7.177 1.00 0.38 C ATOM 2306 O TRP A 148 8.444 1.972 6.055 1.00 0.40 O ATOM 2307 CB TRP A 148 6.106 3.380 7.834 1.00 0.39 C ATOM 2308 CG TRP A 148 4.679 2.956 7.888 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.720 3.392 8.747 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.057 1.994 7.037 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.530 2.770 8.472 1.00 0.52 N ATOM 2312 CE2 TRP A 148 2.712 1.904 7.426 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.507 1.204 5.976 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 1.815 1.055 6.790 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.615 0.363 5.348 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.282 0.295 5.757 1.00 3.32 C ATOM 0 H TRP A 148 6.883 2.639 10.041 1.00 0.35 H new ATOM 0 HA TRP A 148 6.619 1.304 7.619 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.291 4.115 8.617 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.297 3.874 6.881 1.00 0.39 H new ATOM 0 HD1 TRP A 148 3.873 4.120 9.530 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.651 2.926 8.966 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.537 1.252 5.654 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 0.783 0.998 7.102 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 3.952 -0.253 4.527 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.606 -0.373 5.245 1.00 3.32 H new ATOM 2327 N ASP A 149 9.270 3.226 7.727 1.00 0.42 N ATOM 2328 CA ASP A 149 10.535 3.483 7.042 1.00 0.47 C ATOM 2329 C ASP A 149 11.214 2.174 6.681 1.00 0.47 C ATOM 2330 O ASP A 149 11.735 2.025 5.582 1.00 0.52 O ATOM 2331 CB ASP A 149 11.489 4.318 7.896 1.00 0.56 C ATOM 2332 CG ASP A 149 11.129 5.789 7.944 1.00 1.23 C ATOM 2333 OD1 ASP A 149 11.412 6.509 6.962 1.00 1.72 O ATOM 2334 OD2 ASP A 149 10.594 6.242 8.977 1.00 1.96 O ATOM 0 H ASP A 149 9.183 3.674 8.639 1.00 0.42 H new ATOM 0 HA ASP A 149 10.300 4.046 6.139 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.497 3.921 8.911 1.00 0.56 H new ATOM 0 HB3 ASP A 149 12.501 4.213 7.505 1.00 0.56 H new ATOM 2339 N THR A 150 11.178 1.218 7.606 1.00 0.47 N ATOM 2340 CA THR A 150 11.791 -0.085 7.392 1.00 0.51 C ATOM 2341 C THR A 150 11.241 -0.763 6.142 1.00 0.50 C ATOM 2342 O THR A 150 11.989 -1.382 5.391 1.00 0.56 O ATOM 2343 CB THR A 150 11.585 -1.013 8.603 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.346 -0.534 9.721 1.00 0.62 O ATOM 2345 CG2 THR A 150 11.994 -2.438 8.262 1.00 0.67 C ATOM 0 H THR A 150 10.728 1.325 8.515 1.00 0.47 H new ATOM 0 HA THR A 150 12.858 0.093 7.259 1.00 0.51 H new ATOM 0 HB THR A 150 10.527 -1.013 8.866 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.871 -1.270 10.099 1.00 0.62 H new ATOM 0 HG21 THR A 150 11.841 -3.078 9.131 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.388 -2.802 7.432 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.046 -2.457 7.979 1.00 0.67 H new ATOM 2353 N PHE A 151 9.947 -0.619 5.900 1.00 0.45 N ATOM 2354 CA PHE A 151 9.323 -1.254 4.749 1.00 0.47 C ATOM 2355 C PHE A 151 9.959 -0.722 3.469 1.00 0.48 C ATOM 2356 O PHE A 151 10.180 -1.458 2.504 1.00 0.55 O ATOM 2357 CB PHE A 151 7.814 -0.990 4.723 1.00 0.47 C ATOM 2358 CG PHE A 151 7.028 -1.619 5.850 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.446 -1.516 7.168 1.00 1.80 C ATOM 2360 CD2 PHE A 151 5.855 -2.306 5.584 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.715 -2.087 8.192 1.00 2.65 C ATOM 2362 CE2 PHE A 151 5.118 -2.876 6.604 1.00 2.61 C ATOM 2363 CZ PHE A 151 5.549 -2.766 7.910 1.00 3.00 C ATOM 0 H PHE A 151 9.312 -0.072 6.481 1.00 0.45 H new ATOM 0 HA PHE A 151 9.479 -2.330 4.822 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.650 0.087 4.745 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.415 -1.354 3.776 1.00 0.47 H new ATOM 0 HD1 PHE A 151 8.356 -0.982 7.398 1.00 1.80 H new ATOM 0 HD2 PHE A 151 5.512 -2.397 4.564 1.00 1.75 H new ATOM 0 HE1 PHE A 151 7.057 -2.001 9.213 1.00 2.65 H new ATOM 0 HE2 PHE A 151 4.205 -3.407 6.379 1.00 2.61 H new ATOM 0 HZ PHE A 151 4.974 -3.211 8.709 1.00 3.00 H new ATOM 2373 N VAL A 152 10.285 0.562 3.488 1.00 0.45 N ATOM 2374 CA VAL A 152 10.934 1.196 2.358 1.00 0.49 C ATOM 2375 C VAL A 152 12.436 0.885 2.372 1.00 0.57 C ATOM 2376 O VAL A 152 13.099 0.903 1.338 1.00 0.64 O ATOM 2377 CB VAL A 152 10.664 2.723 2.289 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.420 3.089 3.088 1.00 1.15 C ATOM 2379 CG2 VAL A 152 11.861 3.537 2.742 1.00 0.91 C ATOM 0 H VAL A 152 10.109 1.184 4.277 1.00 0.45 H new ATOM 0 HA VAL A 152 10.498 0.777 1.451 1.00 0.49 H new ATOM 0 HB VAL A 152 10.487 2.972 1.243 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.250 4.164 3.025 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.558 2.561 2.681 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.560 2.804 4.131 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.625 4.599 2.676 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.105 3.283 3.774 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.715 3.315 2.102 1.00 0.91 H new ATOM 2389 N GLU A 153 12.968 0.603 3.554 1.00 0.59 N ATOM 2390 CA GLU A 153 14.350 0.162 3.687 1.00 0.69 C ATOM 2391 C GLU A 153 14.532 -1.185 3.003 1.00 0.70 C ATOM 2392 O GLU A 153 15.616 -1.511 2.516 1.00 0.80 O ATOM 2393 CB GLU A 153 14.732 0.045 5.161 1.00 0.76 C ATOM 2394 CG GLU A 153 14.680 1.366 5.895 1.00 0.80 C ATOM 2395 CD GLU A 153 15.866 2.254 5.596 1.00 1.31 C ATOM 2396 OE1 GLU A 153 15.949 2.802 4.477 1.00 1.67 O ATOM 2397 OE2 GLU A 153 16.717 2.421 6.493 1.00 1.58 O ATOM 0 H GLU A 153 12.462 0.672 4.437 1.00 0.59 H new ATOM 0 HA GLU A 153 14.998 0.899 3.212 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.060 -0.661 5.649 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.738 -0.367 5.238 1.00 0.76 H new ATOM 0 HG2 GLU A 153 13.763 1.890 5.624 1.00 0.80 H new ATOM 0 HG3 GLU A 153 14.635 1.178 6.968 1.00 0.80 H new ATOM 2404 N LEU A 154 13.460 -1.968 2.982 1.00 0.67 N ATOM 2405 CA LEU A 154 13.488 -3.277 2.358 1.00 0.72 C ATOM 2406 C LEU A 154 13.268 -3.148 0.860 1.00 0.74 C ATOM 2407 O LEU A 154 14.094 -3.589 0.061 1.00 0.83 O ATOM 2408 CB LEU A 154 12.411 -4.197 2.944 1.00 0.72 C ATOM 2409 CG LEU A 154 12.249 -4.161 4.465 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.360 -5.298 4.929 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.595 -4.213 5.166 1.00 1.14 C ATOM 0 H LEU A 154 12.561 -1.715 3.392 1.00 0.67 H new ATOM 0 HA LEU A 154 14.467 -3.714 2.554 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.454 -3.937 2.491 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.636 -5.221 2.647 1.00 0.72 H new ATOM 0 HG LEU A 154 11.774 -3.216 4.730 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.255 -5.258 6.013 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.378 -5.204 4.465 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.807 -6.250 4.642 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.444 -4.186 6.245 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.111 -5.134 4.895 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.197 -3.357 4.862 1.00 1.14 H new ATOM 2423 N TYR A 155 12.156 -2.531 0.480 1.00 0.69 N ATOM 2424 CA TYR A 155 11.808 -2.422 -0.925 1.00 0.78 C ATOM 2425 C TYR A 155 11.858 -0.971 -1.382 1.00 0.77 C ATOM 2426 O TYR A 155 12.464 -0.663 -2.409 1.00 1.15 O ATOM 2427 CB TYR A 155 10.407 -2.996 -1.140 1.00 0.86 C ATOM 2428 CG TYR A 155 10.003 -3.133 -2.587 1.00 1.40 C ATOM 2429 CD1 TYR A 155 10.514 -4.157 -3.368 1.00 1.83 C ATOM 2430 CD2 TYR A 155 9.100 -2.253 -3.166 1.00 2.24 C ATOM 2431 CE1 TYR A 155 10.142 -4.299 -4.686 1.00 2.65 C ATOM 2432 CE2 TYR A 155 8.718 -2.392 -4.485 1.00 3.16 C ATOM 2433 CZ TYR A 155 9.244 -3.416 -5.240 1.00 3.24 C ATOM 2434 OH TYR A 155 8.859 -3.572 -6.551 1.00 4.24 O ATOM 0 H TYR A 155 11.487 -2.103 1.121 1.00 0.69 H new ATOM 0 HA TYR A 155 12.530 -2.986 -1.516 1.00 0.78 H new ATOM 0 HB2 TYR A 155 10.353 -3.976 -0.666 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.684 -2.357 -0.633 1.00 0.86 H new ATOM 0 HD1 TYR A 155 11.216 -4.855 -2.936 1.00 1.83 H new ATOM 0 HD2 TYR A 155 8.690 -1.447 -2.576 1.00 2.24 H new ATOM 0 HE1 TYR A 155 10.553 -5.100 -5.282 1.00 2.65 H new ATOM 0 HE2 TYR A 155 8.011 -1.702 -4.922 1.00 3.16 H new ATOM 0 HH TYR A 155 8.673 -4.518 -6.727 1.00 4.24 H new ATOM 2444 N GLY A 156 11.290 -0.085 -0.565 1.00 0.66 N ATOM 2445 CA GLY A 156 11.207 1.330 -0.897 1.00 0.64 C ATOM 2446 C GLY A 156 10.807 1.597 -2.320 1.00 0.78 C ATOM 2447 O GLY A 156 10.156 0.781 -2.975 1.00 1.10 O ATOM 0 H GLY A 156 10.879 -0.328 0.336 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.488 1.808 -0.232 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.174 1.795 -0.708 1.00 0.64 H new ATOM 2451 N ASN A 157 11.164 2.764 -2.778 1.00 0.70 N ATOM 2452 CA ASN A 157 10.884 3.161 -4.119 1.00 0.80 C ATOM 2453 C ASN A 157 12.180 3.267 -4.904 1.00 1.14 C ATOM 2454 O ASN A 157 12.978 4.183 -4.691 1.00 1.29 O ATOM 2455 CB ASN A 157 10.136 4.481 -4.087 1.00 0.70 C ATOM 2456 CG ASN A 157 9.742 4.970 -5.462 1.00 0.77 C ATOM 2457 OD1 ASN A 157 10.492 5.684 -6.123 1.00 0.88 O ATOM 2458 ND2 ASN A 157 8.545 4.600 -5.893 1.00 0.76 N ATOM 0 H ASN A 157 11.659 3.465 -2.226 1.00 0.70 H new ATOM 0 HA ASN A 157 10.260 2.419 -4.617 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.240 4.370 -3.476 1.00 0.70 H new ATOM 0 HB3 ASN A 157 10.759 5.234 -3.604 1.00 0.70 H new ATOM 0 HD21 ASN A 157 8.214 4.909 -6.807 1.00 0.76 H new ATOM 0 HD22 ASN A 157 7.955 4.006 -5.311 1.00 0.76 H new ATOM 2465 N ASN A 158 12.391 2.326 -5.806 1.00 1.40 N ATOM 2466 CA ASN A 158 13.636 2.258 -6.553 1.00 1.79 C ATOM 2467 C ASN A 158 13.702 3.336 -7.620 1.00 1.93 C ATOM 2468 O ASN A 158 14.789 3.750 -8.012 1.00 2.18 O ATOM 2469 CB ASN A 158 13.827 0.875 -7.172 1.00 2.11 C ATOM 2470 CG ASN A 158 14.358 -0.131 -6.172 1.00 2.55 C ATOM 2471 OD1 ASN A 158 13.597 -0.774 -5.449 1.00 2.99 O ATOM 2472 ND2 ASN A 158 15.672 -0.282 -6.130 1.00 2.94 N ATOM 0 H ASN A 158 11.717 1.597 -6.040 1.00 1.40 H new ATOM 0 HA ASN A 158 14.450 2.434 -5.850 1.00 1.79 H new ATOM 0 HB2 ASN A 158 12.875 0.522 -7.569 1.00 2.11 H new ATOM 0 HB3 ASN A 158 14.517 0.947 -8.013 1.00 2.11 H new ATOM 0 HD21 ASN A 158 16.088 -0.951 -5.482 1.00 2.94 H new ATOM 0 HD22 ASN A 158 16.269 0.270 -6.746 1.00 2.94 H new ATOM 2479 N ALA A 159 12.542 3.798 -8.071 1.00 1.86 N ATOM 2480 CA ALA A 159 12.477 4.893 -9.033 1.00 2.10 C ATOM 2481 C ALA A 159 13.207 6.122 -8.496 1.00 2.25 C ATOM 2482 O ALA A 159 13.838 6.864 -9.247 1.00 2.52 O ATOM 2483 CB ALA A 159 11.031 5.231 -9.361 1.00 2.14 C ATOM 0 H ALA A 159 11.633 3.432 -7.787 1.00 1.86 H new ATOM 0 HA ALA A 159 12.971 4.574 -9.951 1.00 2.10 H new ATOM 0 HB1 ALA A 159 11.003 6.050 -10.080 1.00 2.14 H new ATOM 0 HB2 ALA A 159 10.541 4.356 -9.788 1.00 2.14 H new ATOM 0 HB3 ALA A 159 10.512 5.530 -8.450 1.00 2.14 H new ATOM 2489 N ALA A 160 13.115 6.329 -7.190 1.00 2.17 N ATOM 2490 CA ALA A 160 13.857 7.394 -6.538 1.00 2.44 C ATOM 2491 C ALA A 160 15.241 6.908 -6.133 1.00 2.55 C ATOM 2492 O ALA A 160 16.228 7.631 -6.274 1.00 2.87 O ATOM 2493 CB ALA A 160 13.098 7.907 -5.324 1.00 2.45 C ATOM 0 H ALA A 160 12.534 5.773 -6.563 1.00 2.17 H new ATOM 0 HA ALA A 160 13.972 8.216 -7.245 1.00 2.44 H new ATOM 0 HB1 ALA A 160 13.669 8.704 -4.848 1.00 2.45 H new ATOM 0 HB2 ALA A 160 12.128 8.293 -5.638 1.00 2.45 H new ATOM 0 HB3 ALA A 160 12.952 7.092 -4.615 1.00 2.45 H new ATOM 2499 N ALA A 161 15.300 5.667 -5.652 1.00 2.37 N ATOM 2500 CA ALA A 161 16.543 5.066 -5.178 1.00 2.60 C ATOM 2501 C ALA A 161 17.648 5.141 -6.228 1.00 2.85 C ATOM 2502 O ALA A 161 18.660 5.804 -6.013 1.00 3.20 O ATOM 2503 CB ALA A 161 16.309 3.621 -4.760 1.00 2.50 C ATOM 0 H ALA A 161 14.489 5.052 -5.581 1.00 2.37 H new ATOM 0 HA ALA A 161 16.873 5.639 -4.312 1.00 2.60 H new ATOM 0 HB1 ALA A 161 17.246 3.188 -4.409 1.00 2.50 H new ATOM 0 HB2 ALA A 161 15.571 3.589 -3.958 1.00 2.50 H new ATOM 0 HB3 ALA A 161 15.942 3.050 -5.613 1.00 2.50 H new ATOM 2509 N GLU A 162 17.451 4.482 -7.369 1.00 2.76 N ATOM 2510 CA GLU A 162 18.478 4.458 -8.413 1.00 3.08 C ATOM 2511 C GLU A 162 18.698 5.835 -9.009 1.00 3.31 C ATOM 2512 O GLU A 162 19.754 6.109 -9.575 1.00 3.67 O ATOM 2513 CB GLU A 162 18.133 3.481 -9.532 1.00 3.06 C ATOM 2514 CG GLU A 162 16.790 3.725 -10.191 1.00 3.25 C ATOM 2515 CD GLU A 162 16.466 2.673 -11.224 1.00 3.48 C ATOM 2516 OE1 GLU A 162 16.889 2.825 -12.388 1.00 3.72 O ATOM 2517 OE2 GLU A 162 15.805 1.674 -10.873 1.00 3.71 O ATOM 0 H GLU A 162 16.602 3.964 -7.594 1.00 2.76 H new ATOM 0 HA GLU A 162 19.395 4.125 -7.928 1.00 3.08 H new ATOM 0 HB2 GLU A 162 18.911 3.532 -10.294 1.00 3.06 H new ATOM 0 HB3 GLU A 162 18.147 2.468 -9.129 1.00 3.06 H new ATOM 0 HG2 GLU A 162 16.010 3.738 -9.430 1.00 3.25 H new ATOM 0 HG3 GLU A 162 16.791 4.708 -10.663 1.00 3.25 H new ATOM 2524 N SER A 163 17.705 6.696 -8.883 1.00 3.19 N ATOM 2525 CA SER A 163 17.817 8.038 -9.407 1.00 3.52 C ATOM 2526 C SER A 163 18.921 8.793 -8.666 1.00 3.81 C ATOM 2527 O SER A 163 19.788 9.412 -9.281 1.00 4.18 O ATOM 2528 CB SER A 163 16.475 8.770 -9.287 1.00 3.44 C ATOM 2529 OG SER A 163 16.559 10.104 -9.760 1.00 3.87 O ATOM 0 H SER A 163 16.818 6.489 -8.424 1.00 3.19 H new ATOM 0 HA SER A 163 18.080 7.990 -10.464 1.00 3.52 H new ATOM 0 HB2 SER A 163 15.715 8.231 -9.853 1.00 3.44 H new ATOM 0 HB3 SER A 163 16.155 8.773 -8.245 1.00 3.44 H new ATOM 0 HG SER A 163 15.685 10.539 -9.670 1.00 3.87 H new ATOM 2535 N ARG A 164 18.909 8.703 -7.341 1.00 3.70 N ATOM 2536 CA ARG A 164 19.923 9.363 -6.524 1.00 4.07 C ATOM 2537 C ARG A 164 21.165 8.488 -6.411 1.00 4.24 C ATOM 2538 O ARG A 164 22.229 8.938 -5.987 1.00 4.61 O ATOM 2539 CB ARG A 164 19.385 9.689 -5.125 1.00 4.05 C ATOM 2540 CG ARG A 164 18.440 10.885 -5.071 1.00 4.12 C ATOM 2541 CD ARG A 164 17.152 10.637 -5.839 1.00 4.41 C ATOM 2542 NE ARG A 164 16.170 11.700 -5.636 1.00 4.73 N ATOM 2543 CZ ARG A 164 14.933 11.668 -6.127 1.00 5.32 C ATOM 2544 NH1 ARG A 164 14.562 10.673 -6.922 1.00 5.65 N ATOM 2545 NH2 ARG A 164 14.075 12.637 -5.835 1.00 5.82 N ATOM 0 H ARG A 164 18.211 8.182 -6.810 1.00 3.70 H new ATOM 0 HA ARG A 164 20.188 10.300 -7.015 1.00 4.07 H new ATOM 0 HB2 ARG A 164 18.864 8.813 -4.737 1.00 4.05 H new ATOM 0 HB3 ARG A 164 20.228 9.879 -4.461 1.00 4.05 H new ATOM 0 HG2 ARG A 164 18.203 11.111 -4.031 1.00 4.12 H new ATOM 0 HG3 ARG A 164 18.942 11.761 -5.481 1.00 4.12 H new ATOM 0 HD2 ARG A 164 17.377 10.552 -6.902 1.00 4.41 H new ATOM 0 HD3 ARG A 164 16.723 9.685 -5.526 1.00 4.41 H new ATOM 0 HE ARG A 164 16.448 12.513 -5.087 1.00 4.73 H new ATOM 0 HH11 ARG A 164 15.224 9.933 -7.156 1.00 5.65 H new ATOM 0 HH12 ARG A 164 13.614 10.647 -7.299 1.00 5.65 H new ATOM 0 HH21 ARG A 164 14.363 13.409 -5.233 1.00 5.82 H new ATOM 0 HH22 ARG A 164 13.128 12.610 -6.212 1.00 5.82 H new ATOM 2559 N LYS A 165 21.014 7.236 -6.802 1.00 4.03 N ATOM 2560 CA LYS A 165 22.104 6.274 -6.771 1.00 4.26 C ATOM 2561 C LYS A 165 22.978 6.418 -8.012 1.00 4.49 C ATOM 2562 O LYS A 165 24.162 6.080 -7.996 1.00 4.77 O ATOM 2563 CB LYS A 165 21.543 4.853 -6.699 1.00 4.10 C ATOM 2564 CG LYS A 165 22.602 3.781 -6.518 1.00 4.47 C ATOM 2565 CD LYS A 165 22.020 2.390 -6.684 1.00 4.47 C ATOM 2566 CE LYS A 165 20.916 2.116 -5.673 1.00 4.43 C ATOM 2567 NZ LYS A 165 20.416 0.720 -5.767 1.00 4.72 N ATOM 0 H LYS A 165 20.134 6.856 -7.150 1.00 4.03 H new ATOM 0 HA LYS A 165 22.713 6.468 -5.888 1.00 4.26 H new ATOM 0 HB2 LYS A 165 20.835 4.794 -5.872 1.00 4.10 H new ATOM 0 HB3 LYS A 165 20.984 4.647 -7.612 1.00 4.10 H new ATOM 0 HG2 LYS A 165 23.401 3.931 -7.244 1.00 4.47 H new ATOM 0 HG3 LYS A 165 23.049 3.874 -5.528 1.00 4.47 H new ATOM 0 HD2 LYS A 165 21.624 2.280 -7.694 1.00 4.47 H new ATOM 0 HD3 LYS A 165 22.811 1.649 -6.569 1.00 4.47 H new ATOM 0 HE2 LYS A 165 21.291 2.301 -4.666 1.00 4.43 H new ATOM 0 HE3 LYS A 165 20.091 2.809 -5.838 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 19.665 0.572 -5.063 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 20.035 0.551 -6.720 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 21.197 0.058 -5.584 1.00 4.72 H new ATOM 2581 N GLY A 166 22.382 6.929 -9.082 1.00 4.45 N ATOM 2582 CA GLY A 166 23.090 7.073 -10.339 1.00 4.72 C ATOM 2583 C GLY A 166 24.284 7.998 -10.231 1.00 4.91 C ATOM 2584 O GLY A 166 25.328 7.750 -10.832 1.00 5.10 O ATOM 0 H GLY A 166 21.413 7.248 -9.101 1.00 4.45 H new ATOM 0 HA2 GLY A 166 23.424 6.092 -10.678 1.00 4.72 H new ATOM 0 HA3 GLY A 166 22.405 7.456 -11.096 1.00 4.72 H new ATOM 2588 N GLN A 167 24.138 9.065 -9.458 1.00 4.92 N ATOM 2589 CA GLN A 167 25.232 10.002 -9.240 1.00 5.16 C ATOM 2590 C GLN A 167 26.255 9.420 -8.274 1.00 5.19 C ATOM 2591 O GLN A 167 27.419 9.828 -8.261 1.00 5.45 O ATOM 2592 CB GLN A 167 24.702 11.342 -8.728 1.00 5.30 C ATOM 2593 CG GLN A 167 23.839 11.227 -7.485 1.00 5.16 C ATOM 2594 CD GLN A 167 23.230 12.551 -7.077 1.00 5.42 C ATOM 2595 OE1 GLN A 167 22.139 12.907 -7.521 1.00 5.60 O ATOM 2596 NE2 GLN A 167 23.929 13.289 -6.231 1.00 5.72 N ATOM 0 H GLN A 167 23.274 9.304 -8.972 1.00 4.92 H new ATOM 0 HA GLN A 167 25.728 10.176 -10.195 1.00 5.16 H new ATOM 0 HB2 GLN A 167 25.546 11.997 -8.513 1.00 5.30 H new ATOM 0 HB3 GLN A 167 24.122 11.818 -9.518 1.00 5.30 H new ATOM 0 HG2 GLN A 167 23.043 10.505 -7.665 1.00 5.16 H new ATOM 0 HG3 GLN A 167 24.441 10.839 -6.663 1.00 5.16 H new ATOM 0 HE21 GLN A 167 24.830 12.956 -5.887 1.00 5.72 H new ATOM 0 HE22 GLN A 167 23.567 14.191 -5.922 1.00 5.72 H new ATOM 2605 N GLU A 168 25.827 8.438 -7.490 1.00 5.02 N ATOM 2606 CA GLU A 168 26.721 7.752 -6.572 1.00 5.17 C ATOM 2607 C GLU A 168 27.534 6.704 -7.318 1.00 5.30 C ATOM 2608 O GLU A 168 28.391 6.045 -6.740 1.00 5.55 O ATOM 2609 CB GLU A 168 25.944 7.099 -5.429 1.00 5.10 C ATOM 2610 CG GLU A 168 25.152 8.084 -4.589 1.00 5.39 C ATOM 2611 CD GLU A 168 24.613 7.462 -3.319 1.00 5.63 C ATOM 2612 OE1 GLU A 168 23.520 6.859 -3.368 1.00 5.81 O ATOM 2613 OE2 GLU A 168 25.277 7.568 -2.265 1.00 5.88 O ATOM 0 H GLU A 168 24.865 8.100 -7.473 1.00 5.02 H new ATOM 0 HA GLU A 168 27.397 8.491 -6.143 1.00 5.17 H new ATOM 0 HB2 GLU A 168 25.261 6.357 -5.843 1.00 5.10 H new ATOM 0 HB3 GLU A 168 26.643 6.565 -4.785 1.00 5.10 H new ATOM 0 HG2 GLU A 168 25.788 8.931 -4.333 1.00 5.39 H new ATOM 0 HG3 GLU A 168 24.323 8.475 -5.179 1.00 5.39 H new ATOM 2620 N ARG A 169 27.257 6.561 -8.610 1.00 5.23 N ATOM 2621 CA ARG A 169 28.015 5.652 -9.459 1.00 5.45 C ATOM 2622 C ARG A 169 29.385 6.264 -9.722 1.00 5.78 C ATOM 2623 O ARG A 169 30.398 5.566 -9.778 1.00 6.09 O ATOM 2624 CB ARG A 169 27.256 5.401 -10.770 1.00 5.37 C ATOM 2625 CG ARG A 169 27.767 4.228 -11.598 1.00 5.66 C ATOM 2626 CD ARG A 169 29.025 4.576 -12.375 1.00 6.08 C ATOM 2627 NE ARG A 169 29.428 3.496 -13.273 1.00 6.39 N ATOM 2628 CZ ARG A 169 30.633 3.397 -13.831 1.00 6.90 C ATOM 2629 NH1 ARG A 169 31.564 4.310 -13.580 1.00 7.13 N ATOM 2630 NH2 ARG A 169 30.913 2.379 -14.634 1.00 7.34 N ATOM 0 H ARG A 169 26.512 7.064 -9.092 1.00 5.23 H new ATOM 0 HA ARG A 169 28.144 4.689 -8.964 1.00 5.45 H new ATOM 0 HB2 ARG A 169 26.205 5.230 -10.536 1.00 5.37 H new ATOM 0 HB3 ARG A 169 27.305 6.304 -11.379 1.00 5.37 H new ATOM 0 HG2 ARG A 169 27.971 3.383 -10.940 1.00 5.66 H new ATOM 0 HG3 ARG A 169 26.990 3.910 -12.293 1.00 5.66 H new ATOM 0 HD2 ARG A 169 28.855 5.484 -12.953 1.00 6.08 H new ATOM 0 HD3 ARG A 169 29.835 4.789 -11.677 1.00 6.08 H new ATOM 0 HE ARG A 169 28.742 2.772 -13.486 1.00 6.39 H new ATOM 0 HH11 ARG A 169 31.357 5.091 -12.958 1.00 7.13 H new ATOM 0 HH12 ARG A 169 32.486 4.230 -14.010 1.00 7.13 H new ATOM 0 HH21 ARG A 169 30.205 1.670 -14.825 1.00 7.34 H new ATOM 0 HH22 ARG A 169 31.837 2.305 -15.060 1.00 7.34 H new ATOM 2644 N LEU A 170 29.405 7.586 -9.856 1.00 5.79 N ATOM 2645 CA LEU A 170 30.649 8.320 -10.027 1.00 6.19 C ATOM 2646 C LEU A 170 31.359 8.437 -8.688 1.00 6.32 C ATOM 2647 O LEU A 170 32.580 8.566 -8.623 1.00 6.79 O ATOM 2648 CB LEU A 170 30.399 9.707 -10.613 1.00 6.33 C ATOM 2649 CG LEU A 170 29.851 9.754 -12.046 1.00 6.61 C ATOM 2650 CD1 LEU A 170 30.648 8.837 -12.959 1.00 6.97 C ATOM 2651 CD2 LEU A 170 28.371 9.402 -12.085 1.00 6.43 C ATOM 0 H LEU A 170 28.569 8.171 -9.849 1.00 5.79 H new ATOM 0 HA LEU A 170 31.278 7.771 -10.728 1.00 6.19 H new ATOM 0 HB2 LEU A 170 29.699 10.232 -9.962 1.00 6.33 H new ATOM 0 HB3 LEU A 170 31.336 10.263 -10.587 1.00 6.33 H new ATOM 0 HG LEU A 170 29.959 10.776 -12.409 1.00 6.61 H new ATOM 0 HD11 LEU A 170 30.242 8.887 -13.969 1.00 6.97 H new ATOM 0 HD12 LEU A 170 31.691 9.153 -12.971 1.00 6.97 H new ATOM 0 HD13 LEU A 170 30.584 7.813 -12.592 1.00 6.97 H new ATOM 0 HD21 LEU A 170 28.014 9.445 -13.114 1.00 6.43 H new ATOM 0 HD22 LEU A 170 28.226 8.396 -11.692 1.00 6.43 H new ATOM 0 HD23 LEU A 170 27.812 10.113 -11.477 1.00 6.43 H new ATOM 2663 N GLU A 171 30.573 8.384 -7.620 1.00 6.03 N ATOM 2664 CA GLU A 171 31.107 8.372 -6.266 1.00 6.27 C ATOM 2665 C GLU A 171 31.432 6.937 -5.867 1.00 6.70 C ATOM 2666 O GLU A 171 31.300 6.013 -6.675 1.00 6.90 O ATOM 2667 CB GLU A 171 30.088 8.953 -5.281 1.00 6.34 C ATOM 2668 CG GLU A 171 29.570 10.333 -5.655 1.00 6.31 C ATOM 2669 CD GLU A 171 30.659 11.382 -5.685 1.00 6.67 C ATOM 2670 OE1 GLU A 171 30.930 11.990 -4.633 1.00 6.97 O ATOM 2671 OE2 GLU A 171 31.261 11.593 -6.756 1.00 6.91 O ATOM 0 H GLU A 171 29.555 8.348 -7.668 1.00 6.03 H new ATOM 0 HA GLU A 171 32.010 8.982 -6.238 1.00 6.27 H new ATOM 0 HB2 GLU A 171 29.243 8.269 -5.206 1.00 6.34 H new ATOM 0 HB3 GLU A 171 30.545 9.005 -4.293 1.00 6.34 H new ATOM 0 HG2 GLU A 171 29.093 10.284 -6.634 1.00 6.31 H new ATOM 0 HG3 GLU A 171 28.803 10.633 -4.941 1.00 6.31 H new ATOM 2678 N HIS A 172 31.850 6.744 -4.626 1.00 7.18 N ATOM 2679 CA HIS A 172 32.062 5.406 -4.103 1.00 7.91 C ATOM 2680 C HIS A 172 31.555 5.323 -2.670 1.00 8.34 C ATOM 2681 O HIS A 172 32.293 5.579 -1.717 1.00 8.55 O ATOM 2682 CB HIS A 172 33.540 5.007 -4.177 1.00 8.43 C ATOM 2683 CG HIS A 172 33.791 3.561 -3.865 1.00 8.65 C ATOM 2684 ND1 HIS A 172 33.814 2.578 -4.830 1.00 8.91 N ATOM 2685 CD2 HIS A 172 34.023 2.931 -2.687 1.00 8.94 C ATOM 2686 CE1 HIS A 172 34.046 1.410 -4.261 1.00 9.32 C ATOM 2687 NE2 HIS A 172 34.178 1.595 -2.962 1.00 9.35 N ATOM 0 H HIS A 172 32.048 7.495 -3.965 1.00 7.18 H new ATOM 0 HA HIS A 172 31.500 4.704 -4.720 1.00 7.91 H new ATOM 0 HB2 HIS A 172 33.916 5.224 -5.177 1.00 8.43 H new ATOM 0 HB3 HIS A 172 34.109 5.624 -3.481 1.00 8.43 H new ATOM 0 HD2 HIS A 172 34.076 3.394 -1.713 1.00 8.94 H new ATOM 0 HE1 HIS A 172 34.116 0.462 -4.773 1.00 9.32 H new ATOM 0 HE2 HIS A 172 34.365 0.865 -2.274 1.00 9.35 H new ATOM 2696 N HIS A 173 30.283 4.995 -2.530 1.00 8.71 N ATOM 2697 CA HIS A 173 29.667 4.849 -1.223 1.00 9.35 C ATOM 2698 C HIS A 173 29.512 3.369 -0.907 1.00 9.73 C ATOM 2699 O HIS A 173 29.213 2.577 -1.803 1.00 10.12 O ATOM 2700 CB HIS A 173 28.303 5.553 -1.196 1.00 9.85 C ATOM 2701 CG HIS A 173 27.708 5.686 0.175 1.00 10.34 C ATOM 2702 ND1 HIS A 173 27.688 6.874 0.877 1.00 10.84 N ATOM 2703 CD2 HIS A 173 27.102 4.776 0.971 1.00 10.66 C ATOM 2704 CE1 HIS A 173 27.099 6.684 2.042 1.00 11.40 C ATOM 2705 NE2 HIS A 173 26.735 5.422 2.121 1.00 11.31 N ATOM 0 H HIS A 173 29.652 4.823 -3.313 1.00 8.71 H new ATOM 0 HA HIS A 173 30.301 5.312 -0.467 1.00 9.35 H new ATOM 0 HB2 HIS A 173 28.411 6.546 -1.631 1.00 9.85 H new ATOM 0 HB3 HIS A 173 27.609 5.001 -1.829 1.00 9.85 H new ATOM 0 HD2 HIS A 173 26.938 3.733 0.742 1.00 10.66 H new ATOM 0 HE1 HIS A 173 26.942 7.436 2.801 1.00 11.40 H new ATOM 0 HE2 HIS A 173 26.256 4.993 2.913 1.00 11.31 H new ATOM 2714 N HIS A 174 29.732 3.013 0.361 1.00 9.86 N ATOM 2715 CA HIS A 174 29.652 1.628 0.826 1.00 10.40 C ATOM 2716 C HIS A 174 30.855 0.826 0.326 1.00 11.06 C ATOM 2717 O HIS A 174 31.264 0.947 -0.829 1.00 11.27 O ATOM 2718 CB HIS A 174 28.334 0.971 0.387 1.00 10.58 C ATOM 2719 CG HIS A 174 28.164 -0.437 0.863 1.00 10.83 C ATOM 2720 ND1 HIS A 174 28.469 -1.535 0.090 1.00 11.12 N ATOM 2721 CD2 HIS A 174 27.716 -0.922 2.043 1.00 11.10 C ATOM 2722 CE1 HIS A 174 28.215 -2.633 0.773 1.00 11.52 C ATOM 2723 NE2 HIS A 174 27.756 -2.292 1.962 1.00 11.52 N ATOM 0 H HIS A 174 29.971 3.680 1.095 1.00 9.86 H new ATOM 0 HA HIS A 174 29.671 1.634 1.916 1.00 10.40 H new ATOM 0 HB2 HIS A 174 27.502 1.571 0.755 1.00 10.58 H new ATOM 0 HB3 HIS A 174 28.279 0.984 -0.702 1.00 10.58 H new ATOM 0 HD2 HIS A 174 27.388 -0.340 2.891 1.00 11.10 H new ATOM 0 HE1 HIS A 174 28.359 -3.643 0.419 1.00 11.52 H new ATOM 0 HE2 HIS A 174 27.477 -2.939 2.699 1.00 11.52 H new ATOM 2732 N HIS A 175 31.424 0.016 1.202 1.00 11.59 N ATOM 2733 CA HIS A 175 32.601 -0.764 0.862 1.00 12.41 C ATOM 2734 C HIS A 175 32.263 -2.244 0.758 1.00 12.84 C ATOM 2735 O HIS A 175 31.614 -2.812 1.638 1.00 13.21 O ATOM 2736 CB HIS A 175 33.701 -0.543 1.905 1.00 12.99 C ATOM 2737 CG HIS A 175 34.951 -1.335 1.654 1.00 13.51 C ATOM 2738 ND1 HIS A 175 35.870 -1.016 0.678 1.00 13.89 N ATOM 2739 CD2 HIS A 175 35.426 -2.445 2.265 1.00 13.89 C ATOM 2740 CE1 HIS A 175 36.853 -1.895 0.699 1.00 14.46 C ATOM 2741 NE2 HIS A 175 36.609 -2.772 1.653 1.00 14.48 N ATOM 0 H HIS A 175 31.089 -0.119 2.156 1.00 11.59 H new ATOM 0 HA HIS A 175 32.962 -0.429 -0.110 1.00 12.41 H new ATOM 0 HB2 HIS A 175 33.954 0.517 1.931 1.00 12.99 H new ATOM 0 HB3 HIS A 175 33.311 -0.802 2.889 1.00 12.99 H new ATOM 0 HD2 HIS A 175 34.960 -2.975 3.083 1.00 13.89 H new ATOM 0 HE1 HIS A 175 37.713 -1.896 0.045 1.00 14.46 H new ATOM 0 HE2 HIS A 175 37.203 -3.565 1.896 1.00 14.48 H new ATOM 2750 N HIS A 176 32.704 -2.857 -0.325 1.00 12.98 N ATOM 2751 CA HIS A 176 32.570 -4.291 -0.507 1.00 13.55 C ATOM 2752 C HIS A 176 33.915 -4.951 -0.230 1.00 13.90 C ATOM 2753 O HIS A 176 34.836 -4.850 -1.035 1.00 14.09 O ATOM 2754 CB HIS A 176 32.098 -4.613 -1.932 1.00 13.99 C ATOM 2755 CG HIS A 176 31.846 -6.071 -2.186 1.00 14.45 C ATOM 2756 ND1 HIS A 176 30.582 -6.610 -2.284 1.00 14.88 N ATOM 2757 CD2 HIS A 176 32.704 -7.099 -2.386 1.00 14.71 C ATOM 2758 CE1 HIS A 176 30.674 -7.903 -2.530 1.00 15.37 C ATOM 2759 NE2 HIS A 176 31.950 -8.225 -2.597 1.00 15.28 N ATOM 0 H HIS A 176 33.163 -2.378 -1.100 1.00 12.98 H new ATOM 0 HA HIS A 176 31.823 -4.677 0.187 1.00 13.55 H new ATOM 0 HB2 HIS A 176 31.182 -4.058 -2.133 1.00 13.99 H new ATOM 0 HB3 HIS A 176 32.847 -4.257 -2.639 1.00 13.99 H new ATOM 0 HD2 HIS A 176 33.783 -7.043 -2.380 1.00 14.71 H new ATOM 0 HE1 HIS A 176 29.844 -8.582 -2.655 1.00 15.37 H new ATOM 0 HE2 HIS A 176 32.317 -9.160 -2.777 1.00 15.28 H new ATOM 2768 N HIS A 177 34.035 -5.599 0.918 1.00 14.14 N ATOM 2769 CA HIS A 177 35.297 -6.219 1.294 1.00 14.65 C ATOM 2770 C HIS A 177 35.464 -7.559 0.597 1.00 15.60 C ATOM 2771 O HIS A 177 34.507 -8.329 0.462 1.00 16.02 O ATOM 2772 CB HIS A 177 35.414 -6.392 2.819 1.00 14.60 C ATOM 2773 CG HIS A 177 34.511 -7.438 3.409 1.00 14.47 C ATOM 2774 ND1 HIS A 177 34.894 -8.751 3.591 1.00 14.51 N ATOM 2775 CD2 HIS A 177 33.240 -7.353 3.865 1.00 14.51 C ATOM 2776 CE1 HIS A 177 33.896 -9.426 4.131 1.00 14.56 C ATOM 2777 NE2 HIS A 177 32.881 -8.601 4.309 1.00 14.56 N ATOM 0 H HIS A 177 33.284 -5.709 1.599 1.00 14.14 H new ATOM 0 HA HIS A 177 36.097 -5.552 0.973 1.00 14.65 H new ATOM 0 HB2 HIS A 177 36.446 -6.644 3.063 1.00 14.60 H new ATOM 0 HB3 HIS A 177 35.198 -5.436 3.296 1.00 14.60 H new ATOM 0 HD1 HIS A 177 35.805 -9.139 3.347 1.00 14.51 H new ATOM 0 HD2 HIS A 177 32.622 -6.467 3.877 1.00 14.51 H new ATOM 0 HE1 HIS A 177 33.908 -10.476 4.384 1.00 14.56 H new ATOM 2786 N LEU A 178 36.672 -7.822 0.143 1.00 16.06 N ATOM 2787 CA LEU A 178 36.998 -9.106 -0.447 1.00 17.08 C ATOM 2788 C LEU A 178 37.318 -10.092 0.666 1.00 17.58 C ATOM 2789 O LEU A 178 37.508 -9.679 1.813 1.00 17.74 O ATOM 2790 CB LEU A 178 38.192 -8.976 -1.397 1.00 17.47 C ATOM 2791 CG LEU A 178 38.085 -7.858 -2.438 1.00 17.56 C ATOM 2792 CD1 LEU A 178 39.308 -7.852 -3.340 1.00 17.99 C ATOM 2793 CD2 LEU A 178 36.813 -8.002 -3.264 1.00 17.68 C ATOM 0 H LEU A 178 37.448 -7.161 0.171 1.00 16.06 H new ATOM 0 HA LEU A 178 36.146 -9.465 -1.024 1.00 17.08 H new ATOM 0 HB2 LEU A 178 39.091 -8.811 -0.803 1.00 17.47 H new ATOM 0 HB3 LEU A 178 38.324 -9.924 -1.919 1.00 17.47 H new ATOM 0 HG LEU A 178 38.039 -6.906 -1.909 1.00 17.56 H new ATOM 0 HD11 LEU A 178 39.215 -7.051 -4.074 1.00 17.99 H new ATOM 0 HD12 LEU A 178 40.203 -7.691 -2.739 1.00 17.99 H new ATOM 0 HD13 LEU A 178 39.385 -8.809 -3.856 1.00 17.99 H new ATOM 0 HD21 LEU A 178 36.761 -7.196 -3.996 1.00 17.68 H new ATOM 0 HD22 LEU A 178 36.822 -8.961 -3.781 1.00 17.68 H new ATOM 0 HD23 LEU A 178 35.945 -7.952 -2.607 1.00 17.68 H new ATOM 2805 N GLU A 179 37.372 -11.378 0.326 1.00 17.95 N ATOM 2806 CA GLU A 179 37.663 -12.438 1.294 1.00 18.57 C ATOM 2807 C GLU A 179 36.536 -12.570 2.319 1.00 19.13 C ATOM 2808 O GLU A 179 36.307 -11.678 3.140 1.00 19.11 O ATOM 2809 CB GLU A 179 38.997 -12.187 2.012 1.00 18.91 C ATOM 2810 CG GLU A 179 40.208 -12.180 1.091 1.00 18.77 C ATOM 2811 CD GLU A 179 40.454 -13.525 0.443 1.00 18.94 C ATOM 2812 OE1 GLU A 179 41.058 -14.401 1.092 1.00 19.19 O ATOM 2813 OE2 GLU A 179 40.042 -13.717 -0.720 1.00 18.93 O ATOM 0 H GLU A 179 37.216 -11.716 -0.624 1.00 17.95 H new ATOM 0 HA GLU A 179 37.741 -13.372 0.738 1.00 18.57 H new ATOM 0 HB2 GLU A 179 38.943 -11.230 2.531 1.00 18.91 H new ATOM 0 HB3 GLU A 179 39.137 -12.955 2.773 1.00 18.91 H new ATOM 0 HG2 GLU A 179 40.065 -11.428 0.315 1.00 18.77 H new ATOM 0 HG3 GLU A 179 41.091 -11.888 1.660 1.00 18.77 H new ATOM 2820 N HIS A 180 35.834 -13.687 2.266 1.00 19.74 N ATOM 2821 CA HIS A 180 34.762 -13.958 3.212 1.00 20.41 C ATOM 2822 C HIS A 180 35.332 -14.546 4.496 1.00 20.84 C ATOM 2823 O HIS A 180 36.547 -14.583 4.690 1.00 21.13 O ATOM 2824 CB HIS A 180 33.731 -14.915 2.606 1.00 21.03 C ATOM 2825 CG HIS A 180 32.855 -14.287 1.566 1.00 21.37 C ATOM 2826 ND1 HIS A 180 31.501 -14.099 1.742 1.00 21.96 N ATOM 2827 CD2 HIS A 180 33.137 -13.819 0.328 1.00 21.34 C ATOM 2828 CE1 HIS A 180 30.991 -13.543 0.661 1.00 22.26 C ATOM 2829 NE2 HIS A 180 31.960 -13.363 -0.213 1.00 21.90 N ATOM 0 H HIS A 180 35.986 -14.424 1.577 1.00 19.74 H new ATOM 0 HA HIS A 180 34.262 -13.017 3.443 1.00 20.41 H new ATOM 0 HB2 HIS A 180 34.254 -15.763 2.163 1.00 21.03 H new ATOM 0 HB3 HIS A 180 33.103 -15.310 3.405 1.00 21.03 H new ATOM 0 HD2 HIS A 180 34.107 -13.806 -0.146 1.00 21.34 H new ATOM 0 HE1 HIS A 180 29.954 -13.280 0.516 1.00 22.26 H new ATOM 0 HE2 HIS A 180 31.853 -12.952 -1.140 1.00 21.90 H new ATOM 2838 N HIS A 181 34.455 -14.993 5.373 1.00 20.99 N ATOM 2839 CA HIS A 181 34.873 -15.609 6.618 1.00 21.54 C ATOM 2840 C HIS A 181 34.458 -17.068 6.641 1.00 22.31 C ATOM 2841 O HIS A 181 33.555 -17.473 5.910 1.00 22.51 O ATOM 2842 CB HIS A 181 34.279 -14.862 7.815 1.00 21.37 C ATOM 2843 CG HIS A 181 34.838 -13.484 7.993 1.00 21.01 C ATOM 2844 ND1 HIS A 181 34.176 -12.341 7.596 1.00 20.83 N ATOM 2845 CD2 HIS A 181 36.011 -13.069 8.528 1.00 20.92 C ATOM 2846 CE1 HIS A 181 34.917 -11.287 7.878 1.00 20.64 C ATOM 2847 NE2 HIS A 181 36.033 -11.701 8.443 1.00 20.70 N ATOM 0 H HIS A 181 33.444 -14.941 5.246 1.00 20.99 H new ATOM 0 HA HIS A 181 35.959 -15.553 6.688 1.00 21.54 H new ATOM 0 HB2 HIS A 181 33.198 -14.794 7.692 1.00 21.37 H new ATOM 0 HB3 HIS A 181 34.461 -15.440 8.721 1.00 21.37 H new ATOM 0 HD2 HIS A 181 36.784 -13.698 8.944 1.00 20.92 H new ATOM 0 HE1 HIS A 181 34.654 -10.259 7.679 1.00 20.64 H new ATOM 0 HE2 HIS A 181 36.792 -11.100 8.765 1.00 20.70 H new ATOM 2856 N HIS A 182 35.127 -17.856 7.466 1.00 22.83 N ATOM 2857 CA HIS A 182 34.847 -19.280 7.551 1.00 23.69 C ATOM 2858 C HIS A 182 33.701 -19.524 8.520 1.00 24.16 C ATOM 2859 O HIS A 182 32.800 -20.317 8.246 1.00 24.40 O ATOM 2860 CB HIS A 182 36.095 -20.047 7.987 1.00 24.01 C ATOM 2861 CG HIS A 182 35.955 -21.536 7.893 1.00 24.24 C ATOM 2862 ND1 HIS A 182 36.219 -22.381 8.943 1.00 24.67 N ATOM 2863 CD2 HIS A 182 35.597 -22.328 6.855 1.00 24.22 C ATOM 2864 CE1 HIS A 182 36.030 -23.629 8.560 1.00 24.89 C ATOM 2865 NE2 HIS A 182 35.652 -23.627 7.296 1.00 24.63 N ATOM 0 H HIS A 182 35.869 -17.533 8.087 1.00 22.83 H new ATOM 0 HA HIS A 182 34.556 -19.642 6.565 1.00 23.69 H new ATOM 0 HB2 HIS A 182 36.937 -19.731 7.371 1.00 24.01 H new ATOM 0 HB3 HIS A 182 36.334 -19.778 9.016 1.00 24.01 H new ATOM 0 HD2 HIS A 182 35.320 -21.999 5.864 1.00 24.22 H new ATOM 0 HE1 HIS A 182 36.162 -24.505 9.177 1.00 24.89 H new ATOM 0 HE2 HIS A 182 35.436 -24.454 6.739 1.00 24.63 H new ATOM 2874 N HIS A 183 33.735 -18.826 9.646 1.00 24.38 N ATOM 2875 CA HIS A 183 32.654 -18.900 10.614 1.00 24.93 C ATOM 2876 C HIS A 183 31.478 -18.070 10.133 1.00 25.44 C ATOM 2877 O HIS A 183 31.600 -16.862 9.926 1.00 25.58 O ATOM 2878 CB HIS A 183 33.105 -18.411 11.994 1.00 25.08 C ATOM 2879 CG HIS A 183 34.071 -19.324 12.683 1.00 25.22 C ATOM 2880 ND1 HIS A 183 35.263 -18.890 13.218 1.00 25.36 N ATOM 2881 CD2 HIS A 183 34.004 -20.650 12.952 1.00 25.35 C ATOM 2882 CE1 HIS A 183 35.886 -19.903 13.785 1.00 25.56 C ATOM 2883 NE2 HIS A 183 35.144 -20.983 13.638 1.00 25.56 N ATOM 0 H HIS A 183 34.499 -18.203 9.910 1.00 24.38 H new ATOM 0 HA HIS A 183 32.354 -19.944 10.708 1.00 24.93 H new ATOM 0 HB2 HIS A 183 33.564 -17.428 11.887 1.00 25.08 H new ATOM 0 HB3 HIS A 183 32.227 -18.285 12.627 1.00 25.08 H new ATOM 0 HD2 HIS A 183 33.203 -21.320 12.678 1.00 25.35 H new ATOM 0 HE1 HIS A 183 36.842 -19.857 14.285 1.00 25.56 H new ATOM 0 HE2 HIS A 183 35.380 -21.915 13.979 1.00 25.56 H new ATOM 2892 N HIS A 184 30.349 -18.721 9.931 1.00 25.80 N ATOM 2893 CA HIS A 184 29.148 -18.036 9.492 1.00 26.40 C ATOM 2894 C HIS A 184 28.160 -17.957 10.645 1.00 26.96 C ATOM 2895 O HIS A 184 27.903 -18.955 11.319 1.00 27.37 O ATOM 2896 CB HIS A 184 28.520 -18.760 8.300 1.00 26.76 C ATOM 2897 CG HIS A 184 27.468 -17.957 7.596 1.00 26.84 C ATOM 2898 ND1 HIS A 184 26.131 -18.007 7.927 1.00 26.92 N ATOM 2899 CD2 HIS A 184 27.566 -17.078 6.570 1.00 26.96 C ATOM 2900 CE1 HIS A 184 25.455 -17.199 7.135 1.00 27.09 C ATOM 2901 NE2 HIS A 184 26.300 -16.622 6.304 1.00 27.11 N ATOM 0 H HIS A 184 30.238 -19.726 10.064 1.00 25.80 H new ATOM 0 HA HIS A 184 29.411 -17.027 9.174 1.00 26.40 H new ATOM 0 HB2 HIS A 184 29.304 -19.019 7.589 1.00 26.76 H new ATOM 0 HB3 HIS A 184 28.081 -19.696 8.645 1.00 26.76 H new ATOM 0 HD2 HIS A 184 28.472 -16.790 6.057 1.00 26.96 H new ATOM 0 HE1 HIS A 184 24.388 -17.037 7.162 1.00 27.09 H new ATOM 0 HE2 HIS A 184 26.053 -15.946 5.581 1.00 27.11 H new ATOM 2910 N HIS A 185 27.631 -16.771 10.890 1.00 27.04 N ATOM 2911 CA HIS A 185 26.696 -16.571 11.983 1.00 27.63 C ATOM 2912 C HIS A 185 25.458 -15.834 11.492 1.00 27.78 C ATOM 2913 O HIS A 185 25.470 -14.585 11.473 1.00 27.59 O ATOM 2914 CB HIS A 185 27.369 -15.797 13.121 1.00 28.05 C ATOM 2915 CG HIS A 185 26.513 -15.643 14.340 1.00 28.32 C ATOM 2916 ND1 HIS A 185 26.267 -16.672 15.222 1.00 28.85 N ATOM 2917 CD2 HIS A 185 25.844 -14.570 14.824 1.00 28.21 C ATOM 2918 CE1 HIS A 185 25.485 -16.240 16.192 1.00 29.06 C ATOM 2919 NE2 HIS A 185 25.215 -14.969 15.975 1.00 28.68 N ATOM 2920 OXT HIS A 185 24.476 -16.508 11.123 1.00 28.16 O ATOM 0 H HIS A 185 27.833 -15.932 10.347 1.00 27.04 H new ATOM 0 HA HIS A 185 26.387 -17.545 12.363 1.00 27.63 H new ATOM 0 HB2 HIS A 185 28.291 -16.308 13.399 1.00 28.05 H new ATOM 0 HB3 HIS A 185 27.649 -14.808 12.759 1.00 28.05 H new ATOM 0 HD2 HIS A 185 25.812 -13.584 14.385 1.00 28.21 H new ATOM 0 HE1 HIS A 185 25.127 -16.829 17.024 1.00 29.06 H new ATOM 0 HE2 HIS A 185 24.632 -14.377 16.567 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -19.445 -14.077 -1.252 1.00 3.23 C HETATM 2931 O ACE B1001 -19.397 -13.439 -0.197 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -20.385 -13.633 -2.354 1.00 4.05 C HETATM 0 H1 ACE B1001 -19.811 -13.403 -3.252 1.00 4.05 H new HETATM 0 H2 ACE B1001 -21.094 -14.432 -2.571 1.00 4.05 H new HETATM 0 H3 ACE B1001 -20.928 -12.744 -2.033 1.00 4.05 H new ATOM 2936 N GLY B1002 -18.692 -15.149 -1.455 1.00 2.68 N ATOM 2937 CA GLY B1002 -17.784 -15.626 -0.432 1.00 2.37 C ATOM 2938 C GLY B1002 -16.346 -15.269 -0.738 1.00 2.24 C ATOM 2939 O GLY B1002 -16.073 -14.195 -1.282 1.00 2.97 O ATOM 0 H GLY B1002 -18.694 -15.699 -2.314 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -18.066 -15.199 0.531 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -17.877 -16.708 -0.341 1.00 2.37 H new ATOM 2943 N CYS B1003 -15.426 -16.174 -0.399 1.00 1.72 N ATOM 2944 CA CYS B1003 -13.998 -15.955 -0.619 1.00 1.60 C ATOM 2945 C CYS B1003 -13.516 -14.738 0.167 1.00 1.42 C ATOM 2946 O CYS B1003 -14.115 -14.366 1.177 1.00 1.55 O ATOM 2947 CB CYS B1003 -13.713 -15.724 -2.110 1.00 1.63 C ATOM 2948 SG CYS B1003 -14.302 -17.035 -3.226 1.00 1.94 S ATOM 0 H CYS B1003 -15.648 -17.071 0.032 1.00 1.72 H new ATOM 0 HA CYS B1003 -13.468 -16.844 -0.278 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -14.172 -14.782 -2.409 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -12.637 -15.611 -2.244 1.00 1.63 H new ATOM 2953 N VAL B1004 -12.384 -14.189 -0.290 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.895 -12.831 0.022 1.00 1.19 C ATOM 2955 C VAL B1004 -11.566 -12.546 1.485 1.00 1.19 C ATOM 2956 O VAL B1004 -10.880 -11.577 1.776 1.00 1.63 O ATOM 2957 CB VAL B1004 -12.790 -11.735 -0.563 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -12.877 -11.936 -2.046 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -14.172 -11.692 0.052 1.00 1.42 C ATOM 0 H VAL B1004 -11.755 -14.695 -0.913 1.00 1.37 H new ATOM 0 HA VAL B1004 -10.929 -12.807 -0.482 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.337 -10.772 -0.328 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -13.511 -11.164 -2.481 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -11.879 -11.874 -2.481 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -13.304 -12.917 -2.256 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.751 -10.892 -0.410 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -14.674 -12.645 -0.113 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -14.088 -11.507 1.123 1.00 1.42 H new ATOM 2969 N GLY B1005 -12.099 -13.328 2.396 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.436 -13.514 3.659 1.00 1.07 C ATOM 2971 C GLY B1005 -10.562 -14.759 3.620 1.00 1.05 C ATOM 2972 O GLY B1005 -10.011 -15.190 4.632 1.00 1.20 O ATOM 0 H GLY B1005 -12.976 -13.837 2.286 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -10.826 -12.641 3.889 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.175 -13.605 4.455 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.485 -15.362 2.434 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.613 -16.495 2.179 1.00 1.08 C ATOM 2978 C ARG B1006 -8.624 -16.209 1.054 1.00 1.04 C ATOM 2979 O ARG B1006 -7.499 -16.705 1.059 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.444 -17.710 1.789 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.677 -18.663 2.931 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.563 -18.060 4.002 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.816 -18.999 5.095 1.00 1.88 N ATOM 2984 CZ ARG B1006 -12.760 -18.829 6.024 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -13.543 -17.756 5.996 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -12.912 -19.730 6.986 1.00 2.87 N ATOM 0 H ARG B1006 -11.031 -15.072 1.623 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.055 -16.685 3.096 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.406 -17.375 1.403 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.943 -18.240 0.979 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.136 -19.577 2.553 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -9.720 -18.945 3.369 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.092 -17.160 4.398 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.511 -17.755 3.559 1.00 1.55 H new ATOM 0 HE ARG B1006 -11.235 -19.836 5.151 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -13.425 -17.057 5.262 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -14.263 -17.631 6.708 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.308 -20.551 7.015 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -13.633 -19.601 7.696 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.048 -15.405 0.092 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.316 -15.270 -1.159 1.00 1.05 C ATOM 3002 C ALA B1007 -7.156 -14.294 -1.041 1.00 1.02 C ATOM 3003 O ALA B1007 -6.019 -14.646 -1.338 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.261 -14.858 -2.272 1.00 1.10 C ATOM 0 H ALA B1007 -9.893 -14.837 0.152 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.886 -16.242 -1.400 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.704 -14.759 -3.204 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -10.036 -15.615 -2.390 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.723 -13.903 -2.022 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.440 -13.084 -0.592 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.420 -12.046 -0.489 1.00 0.83 C ATOM 3012 C LEU B1008 -5.456 -12.406 0.630 1.00 0.78 C ATOM 3013 O LEU B1008 -4.270 -12.090 0.584 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.066 -10.673 -0.235 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.056 -10.187 -1.305 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.444 -10.324 -2.686 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.374 -10.936 -1.229 1.00 1.33 C ATOM 0 H LEU B1008 -8.370 -12.792 -0.291 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.871 -11.983 -1.429 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.585 -10.709 0.723 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.272 -9.932 -0.139 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.266 -9.135 -1.113 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.155 -9.976 -3.435 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.535 -9.724 -2.742 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.201 -11.370 -2.874 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.048 -10.565 -2.001 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.197 -12.000 -1.383 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -9.824 -10.781 -0.249 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.006 -13.077 1.630 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.257 -13.657 2.722 1.00 0.78 C ATOM 3031 C ALA B1009 -4.104 -14.478 2.175 1.00 0.80 C ATOM 3032 O ALA B1009 -2.961 -14.399 2.625 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.150 -14.567 3.536 1.00 0.88 C ATOM 0 H ALA B1009 -7.011 -13.234 1.702 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.878 -12.851 3.350 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.578 -15.000 4.356 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.984 -13.993 3.939 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.533 -15.365 2.900 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.455 -15.263 1.165 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.566 -16.228 0.558 1.00 0.94 C ATOM 3041 C ALA B1010 -2.699 -15.589 -0.515 1.00 0.92 C ATOM 3042 O ALA B1010 -1.481 -15.764 -0.534 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.398 -17.341 -0.041 1.00 1.03 C ATOM 0 H ALA B1010 -5.383 -15.242 0.742 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.898 -16.624 1.324 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.741 -18.078 -0.503 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.985 -17.819 0.743 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.068 -16.929 -0.795 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.334 -14.850 -1.412 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.625 -14.176 -2.486 1.00 0.93 C ATOM 3051 C PHE B1011 -1.705 -13.101 -1.925 1.00 0.85 C ATOM 3052 O PHE B1011 -0.709 -12.740 -2.547 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.613 -13.570 -3.490 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.235 -14.589 -4.408 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.501 -15.198 -5.419 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.562 -14.940 -4.254 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -4.079 -16.129 -6.247 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -6.146 -15.874 -5.081 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.360 -16.463 -6.121 1.00 1.46 C ATOM 0 H PHE B1011 -4.343 -14.702 -1.416 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.015 -14.912 -3.009 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.403 -13.054 -2.944 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.096 -12.820 -4.089 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.462 -14.936 -5.555 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -6.149 -14.476 -3.475 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.482 -16.599 -7.015 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -7.180 -16.157 -4.947 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.805 -17.175 -6.800 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.030 -12.625 -0.730 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.234 -11.602 -0.090 1.00 0.72 C ATOM 3071 C GLY B1012 0.065 -12.130 0.466 1.00 0.73 C ATOM 3072 O GLY B1012 0.936 -11.357 0.863 1.00 0.78 O ATOM 0 H GLY B1012 -2.839 -12.934 -0.190 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.021 -10.812 -0.810 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.812 -11.151 0.717 1.00 0.72 H new ATOM 3076 N ASP B1013 0.196 -13.448 0.509 1.00 0.78 N ATOM 3077 CA ASP B1013 1.473 -14.072 0.839 1.00 0.86 C ATOM 3078 C ASP B1013 2.447 -13.896 -0.325 1.00 0.93 C ATOM 3079 O ASP B1013 3.662 -14.047 -0.177 1.00 1.06 O ATOM 3080 CB ASP B1013 1.276 -15.559 1.150 1.00 0.98 C ATOM 3081 CG ASP B1013 2.570 -16.267 1.502 1.00 1.18 C ATOM 3082 OD1 ASP B1013 3.089 -16.048 2.613 1.00 1.48 O ATOM 3083 OD2 ASP B1013 3.062 -17.064 0.673 1.00 1.90 O ATOM 0 H ASP B1013 -0.561 -14.105 0.321 1.00 0.78 H new ATOM 0 HA ASP B1013 1.886 -13.589 1.725 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.575 -15.662 1.978 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.824 -16.048 0.287 1.00 0.98 H new ATOM 3088 N CYS B1014 1.901 -13.533 -1.478 1.00 0.93 N ATOM 3089 CA CYS B1014 2.689 -13.352 -2.682 1.00 1.06 C ATOM 3090 C CYS B1014 2.731 -11.880 -3.067 1.00 1.08 C ATOM 3091 O CYS B1014 1.944 -11.422 -3.890 1.00 1.44 O ATOM 3092 CB CYS B1014 2.121 -14.167 -3.846 1.00 1.12 C ATOM 3093 SG CYS B1014 2.527 -15.944 -3.817 1.00 1.34 S ATOM 0 H CYS B1014 0.904 -13.357 -1.601 1.00 0.93 H new ATOM 0 HA CYS B1014 3.699 -13.705 -2.473 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.036 -14.058 -3.850 1.00 1.12 H new ATOM 0 HB3 CYS B1014 2.488 -13.742 -4.780 1.00 1.12 H new ATOM 3098 N ILE B1015 3.620 -11.136 -2.437 1.00 1.14 N ATOM 3099 CA ILE B1015 3.808 -9.739 -2.787 1.00 1.23 C ATOM 3100 C ILE B1015 4.962 -9.639 -3.774 1.00 1.67 C ATOM 3101 O ILE B1015 4.790 -9.850 -4.972 1.00 2.20 O ATOM 3102 CB ILE B1015 4.111 -8.858 -1.550 1.00 1.32 C ATOM 3103 CG1 ILE B1015 3.369 -9.362 -0.307 1.00 2.19 C ATOM 3104 CG2 ILE B1015 3.719 -7.418 -1.833 1.00 1.41 C ATOM 3105 CD1 ILE B1015 4.115 -10.431 0.466 1.00 2.91 C ATOM 0 H ILE B1015 4.221 -11.472 -1.684 1.00 1.14 H new ATOM 0 HA ILE B1015 2.881 -9.371 -3.227 1.00 1.23 H new ATOM 0 HB ILE B1015 5.181 -8.915 -1.351 1.00 1.32 H new ATOM 0 HG12 ILE B1015 3.176 -8.518 0.355 1.00 2.19 H new ATOM 0 HG13 ILE B1015 2.400 -9.758 -0.611 1.00 2.19 H new ATOM 0 HG21 ILE B1015 3.935 -6.804 -0.959 1.00 1.41 H new ATOM 0 HG22 ILE B1015 4.287 -7.047 -2.686 1.00 1.41 H new ATOM 0 HG23 ILE B1015 2.653 -7.368 -2.057 1.00 1.41 H new ATOM 0 HD11 ILE B1015 3.524 -10.734 1.330 1.00 2.91 H new ATOM 0 HD12 ILE B1015 4.285 -11.294 -0.178 1.00 2.91 H new ATOM 0 HD13 ILE B1015 5.073 -10.035 0.803 1.00 2.91 H new ATOM 3117 N ASN B1016 6.145 -9.354 -3.254 1.00 2.03 N ATOM 3118 CA ASN B1016 7.366 -9.433 -4.040 1.00 2.59 C ATOM 3119 C ASN B1016 7.858 -10.877 -4.037 1.00 2.83 C ATOM 3120 O ASN B1016 8.799 -11.241 -4.746 1.00 3.29 O ATOM 3121 CB ASN B1016 8.447 -8.508 -3.465 1.00 3.32 C ATOM 3122 CG ASN B1016 8.873 -8.903 -2.059 1.00 3.73 C ATOM 3123 OD1 ASN B1016 8.074 -9.408 -1.269 1.00 4.03 O ATOM 3124 ND2 ASN B1016 10.135 -8.674 -1.736 1.00 4.29 N ATOM 0 H ASN B1016 6.286 -9.064 -2.286 1.00 2.03 H new ATOM 0 HA ASN B1016 7.158 -9.111 -5.060 1.00 2.59 H new ATOM 0 HB2 ASN B1016 9.317 -8.522 -4.121 1.00 3.32 H new ATOM 0 HB3 ASN B1016 8.074 -7.484 -3.453 1.00 3.32 H new ATOM 0 HD21 ASN B1016 10.476 -8.917 -0.806 1.00 4.29 H new ATOM 0 HD22 ASN B1016 10.768 -8.254 -2.417 1.00 4.29 H new ATOM 3131 N ARG B1017 7.197 -11.690 -3.221 1.00 3.18 N ATOM 3132 CA ARG B1017 7.537 -13.096 -3.074 1.00 3.90 C ATOM 3133 C ARG B1017 6.636 -13.950 -3.959 1.00 4.54 C ATOM 3134 O ARG B1017 5.589 -14.424 -3.522 1.00 5.06 O ATOM 3135 CB ARG B1017 7.381 -13.527 -1.615 1.00 4.55 C ATOM 3136 CG ARG B1017 8.129 -12.645 -0.631 1.00 5.10 C ATOM 3137 CD ARG B1017 7.940 -13.123 0.799 1.00 5.97 C ATOM 3138 NE ARG B1017 8.530 -14.443 1.014 1.00 6.51 N ATOM 3139 CZ ARG B1017 8.163 -15.275 1.987 1.00 7.49 C ATOM 3140 NH1 ARG B1017 7.143 -14.967 2.784 1.00 8.03 N ATOM 3141 NH2 ARG B1017 8.799 -16.431 2.145 1.00 8.17 N ATOM 0 H ARG B1017 6.411 -11.391 -2.644 1.00 3.18 H new ATOM 0 HA ARG B1017 8.574 -13.236 -3.379 1.00 3.90 H new ATOM 0 HB2 ARG B1017 6.322 -13.526 -1.357 1.00 4.55 H new ATOM 0 HB3 ARG B1017 7.734 -14.553 -1.509 1.00 4.55 H new ATOM 0 HG2 ARG B1017 9.191 -12.642 -0.878 1.00 5.10 H new ATOM 0 HG3 ARG B1017 7.778 -11.617 -0.722 1.00 5.10 H new ATOM 0 HD2 ARG B1017 8.393 -12.407 1.484 1.00 5.97 H new ATOM 0 HD3 ARG B1017 6.876 -13.158 1.033 1.00 5.97 H new ATOM 0 HE ARG B1017 9.269 -14.746 0.379 1.00 6.51 H new ATOM 0 HH11 ARG B1017 6.639 -14.091 2.651 1.00 8.03 H new ATOM 0 HH12 ARG B1017 6.866 -15.607 3.528 1.00 8.03 H new ATOM 0 HH21 ARG B1017 9.567 -16.680 1.522 1.00 8.17 H new ATOM 0 HH22 ARG B1017 8.519 -17.069 2.890 1.00 8.17 H new HETATM 3155 N NH2 B1018 7.033 -14.130 -5.205 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -13.093 -18.342 -2.891 1.00 1.93 C HETATM 3160 C2 33B B1100 -11.651 -17.806 -2.868 1.00 1.78 C HETATM 3161 O2 33B B1100 -11.361 -16.723 -3.369 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.785 -18.581 -2.226 1.00 1.51 N HETATM 3163 C4 33B B1100 -9.465 -18.504 -2.480 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.579 -18.783 -1.437 1.00 1.42 C HETATM 3165 C6 33B B1100 -8.944 -18.191 -3.757 1.00 1.47 C HETATM 3166 S6 33B B1100 -9.960 -17.884 -5.161 1.00 1.71 S HETATM 3167 C7 33B B1100 -7.202 -18.772 -1.653 1.00 1.43 C HETATM 3168 C8 33B B1100 -7.565 -18.172 -3.949 1.00 1.42 C HETATM 3169 C9 33B B1100 -6.699 -18.474 -2.913 1.00 1.39 C HETATM 3170 N10 33B B1100 -5.384 -18.483 -3.145 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.583 -18.778 -2.260 1.00 1.51 N HETATM 3172 C12 33B B1100 -3.273 -18.755 -2.515 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.351 -19.043 -1.507 1.00 1.75 C HETATM 3174 C14 33B B1100 -2.830 -18.390 -3.772 1.00 1.42 C HETATM 3175 C15 33B B1100 -0.988 -18.945 -1.764 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.465 -18.295 -4.031 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.548 -18.566 -3.030 1.00 1.60 C HETATM 3178 S17 33B B1100 -0.886 -17.806 -5.606 1.00 1.38 S HETATM 3179 N18 33B B1100 0.745 -18.412 -3.282 1.00 1.62 N HETATM 3180 C19 33B B1100 1.533 -17.991 -2.294 1.00 1.65 C HETATM 3181 O19 33B B1100 2.064 -18.729 -1.467 1.00 1.92 O HETATM 3182 C20 33B B1100 1.762 -16.479 -2.274 1.00 1.43 C HETATM 3183 O61 33B B1100 -10.182 -16.404 -5.304 1.00 2.13 O HETATM 3184 O62 33B B1100 -11.286 -18.577 -5.041 1.00 2.30 O HETATM 3185 O63 33B B1100 -9.258 -18.390 -6.391 1.00 2.30 O HETATM 3186 O71 33B B1100 -1.985 -17.915 -6.624 1.00 2.03 O HETATM 3187 O72 33B B1100 -0.426 -16.377 -5.546 1.00 2.14 O HETATM 3188 O73 33B B1100 0.270 -18.663 -6.024 1.00 1.73 O HETATM 0 HO72 33B B1100 0.413 -16.324 -5.043 1.00 2.14 H new HETATM 0 HO62 33B B1100 -11.156 -19.468 -4.655 1.00 2.30 H new HETATM 0 HN18 33B B1100 1.126 -18.611 -4.207 1.00 1.62 H new HETATM 0 HN3 33B B1100 -11.125 -19.245 -1.530 1.00 1.51 H new HETATM 0 H8 33B B1100 -7.162 -17.916 -4.929 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.520 -18.997 -0.833 1.00 1.43 H new HETATM 0 H5 33B B1100 -8.968 -19.011 -0.445 1.00 1.42 H new HETATM 0 H15 33B B1100 -0.266 -19.164 -0.977 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.550 -18.176 -4.562 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.699 -19.344 -0.519 1.00 1.75 H new