USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1147 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 TYR OH : rot 180:sc= 0.783 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -113:sc= 1.31 (180deg=-0.036) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.43 (180deg=-0.977) USER MOD Single : A 3 THR OG1 : rot 72:sc= 0.0822 USER MOD Single : A 9 SER OG : rot 180:sc= -0.551 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -87:sc= 0.376 USER MOD Single : A 28 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 80:sc= -0.102 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 0.867 (180deg=0.434) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.438 (180deg=0.383) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0.833 (180deg=0.833) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc=-0.00686 (180deg=-0.112) USER MOD Single : A 49 LYS NZ :NH3+ -107:sc= -0.503 (180deg=-2.53!) USER MOD Single : A 50 GLN : amide:sc= 0.177 K(o=0.18,f=-3.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0385 USER MOD Single : A 72 TYR OH : rot 151:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.9) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0656) USER MOD Single : A 84 MET CE :methyl -147:sc= -0.575 (180deg=-1.31) USER MOD Single : A 87 GLN : amide:sc= -2.54 K(o=-2.5,f=-1.6) USER MOD Single : A 89 GLN : amide:sc= -1.29! X(o=-1.3!,f=-0.94) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 101 LYS NZ :NH3+ -106:sc= -0.843 (180deg=-1.32) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 111 ASN : amide:sc= -0.0962 K(o=-0.096,f=-5.1!) USER MOD Single : A 116 LYS NZ :NH3+ 173:sc= 0.586 (180deg=0.556) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -149:sc= 0.541 (180deg=-0.0691) USER MOD Single : A 129 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-3.5!) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HE2:sc= 0.278 K(o=0.28,f=-2.1!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.958 15.707 -3.183 1.00 54.43 N ATOM 2 CA MET A 1 0.454 15.056 -1.956 1.00 43.45 C ATOM 3 C MET A 1 1.071 13.653 -1.845 1.00 63.30 C ATOM 4 O MET A 1 0.600 12.713 -2.493 1.00 44.04 O ATOM 5 CB MET A 1 -1.103 15.019 -1.978 1.00 50.53 C ATOM 6 CG MET A 1 -1.760 16.413 -2.026 1.00 41.14 C ATOM 7 SD MET A 1 -3.547 16.347 -2.288 1.00 71.50 S ATOM 8 CE MET A 1 -3.989 18.090 -2.266 1.00 14.12 C ATOM 0 H1 MET A 1 1.373 16.629 -2.941 1.00 54.43 H new ATOM 0 H2 MET A 1 1.683 15.105 -3.622 1.00 54.43 H new ATOM 0 H3 MET A 1 0.172 15.846 -3.850 1.00 54.43 H new ATOM 0 HA MET A 1 0.748 15.623 -1.073 1.00 43.45 H new ATOM 0 HB2 MET A 1 -1.431 14.444 -2.844 1.00 50.53 H new ATOM 0 HB3 MET A 1 -1.457 14.492 -1.092 1.00 50.53 H new ATOM 0 HG2 MET A 1 -1.555 16.937 -1.092 1.00 41.14 H new ATOM 0 HG3 MET A 1 -1.303 16.996 -2.826 1.00 41.14 H new ATOM 0 HE1 MET A 1 -5.063 18.195 -2.416 1.00 14.12 H new ATOM 0 HE2 MET A 1 -3.713 18.523 -1.305 1.00 14.12 H new ATOM 0 HE3 MET A 1 -3.459 18.610 -3.064 1.00 14.12 H new ATOM 20 N GLY A 2 2.165 13.544 -1.052 1.00 53.24 N ATOM 21 CA GLY A 2 2.899 12.289 -0.861 1.00 41.14 C ATOM 22 C GLY A 2 2.103 11.276 -0.048 1.00 3.44 C ATOM 23 O GLY A 2 2.194 11.248 1.181 1.00 53.42 O ATOM 0 H GLY A 2 2.556 14.329 -0.531 1.00 53.24 H new ATOM 0 HA2 GLY A 2 3.143 11.861 -1.833 1.00 41.14 H new ATOM 0 HA3 GLY A 2 3.843 12.495 -0.357 1.00 41.14 H new ATOM 27 N THR A 3 1.305 10.463 -0.745 1.00 2.43 N ATOM 28 CA THR A 3 0.404 9.478 -0.131 1.00 63.11 C ATOM 29 C THR A 3 0.961 8.068 -0.405 1.00 70.23 C ATOM 30 O THR A 3 0.969 7.625 -1.554 1.00 13.51 O ATOM 31 CB THR A 3 -1.030 9.642 -0.739 1.00 11.22 C ATOM 32 OG1 THR A 3 -1.433 11.025 -0.673 1.00 72.43 O ATOM 33 CG2 THR A 3 -2.076 8.764 -0.038 1.00 41.15 C ATOM 0 H THR A 3 1.264 10.469 -1.764 1.00 2.43 H new ATOM 0 HA THR A 3 0.339 9.631 0.946 1.00 63.11 H new ATOM 0 HB THR A 3 -0.977 9.313 -1.777 1.00 11.22 H new ATOM 0 HG1 THR A 3 -0.922 11.546 -1.327 1.00 72.43 H new ATOM 0 HG21 THR A 3 -3.050 8.919 -0.501 1.00 41.15 H new ATOM 0 HG22 THR A 3 -1.793 7.716 -0.131 1.00 41.15 H new ATOM 0 HG23 THR A 3 -2.129 9.033 1.017 1.00 41.15 H new ATOM 41 N VAL A 4 1.448 7.384 0.648 1.00 22.34 N ATOM 42 CA VAL A 4 2.138 6.085 0.512 1.00 24.24 C ATOM 43 C VAL A 4 1.152 4.945 0.819 1.00 54.43 C ATOM 44 O VAL A 4 0.791 4.714 1.968 1.00 61.32 O ATOM 45 CB VAL A 4 3.402 6.018 1.465 1.00 63.21 C ATOM 46 CG1 VAL A 4 4.149 4.669 1.342 1.00 31.44 C ATOM 47 CG2 VAL A 4 4.358 7.204 1.187 1.00 40.11 C ATOM 0 H VAL A 4 1.376 7.713 1.611 1.00 22.34 H new ATOM 0 HA VAL A 4 2.494 5.975 -0.512 1.00 24.24 H new ATOM 0 HB VAL A 4 3.041 6.094 2.491 1.00 63.21 H new ATOM 0 HG11 VAL A 4 5.008 4.667 2.012 1.00 31.44 H new ATOM 0 HG12 VAL A 4 3.476 3.855 1.611 1.00 31.44 H new ATOM 0 HG13 VAL A 4 4.489 4.534 0.315 1.00 31.44 H new ATOM 0 HG21 VAL A 4 5.220 7.140 1.851 1.00 40.11 H new ATOM 0 HG22 VAL A 4 4.695 7.165 0.151 1.00 40.11 H new ATOM 0 HG23 VAL A 4 3.833 8.143 1.363 1.00 40.11 H new ATOM 57 N VAL A 5 0.701 4.258 -0.235 1.00 71.43 N ATOM 58 CA VAL A 5 -0.232 3.126 -0.136 1.00 32.03 C ATOM 59 C VAL A 5 0.563 1.814 -0.241 1.00 14.22 C ATOM 60 O VAL A 5 1.128 1.521 -1.292 1.00 62.21 O ATOM 61 CB VAL A 5 -1.337 3.205 -1.267 1.00 34.45 C ATOM 62 CG1 VAL A 5 -2.334 2.024 -1.184 1.00 30.52 C ATOM 63 CG2 VAL A 5 -2.072 4.570 -1.224 1.00 53.01 C ATOM 0 H VAL A 5 0.976 4.473 -1.194 1.00 71.43 H new ATOM 0 HA VAL A 5 -0.745 3.164 0.825 1.00 32.03 H new ATOM 0 HB VAL A 5 -0.830 3.124 -2.228 1.00 34.45 H new ATOM 0 HG11 VAL A 5 -3.075 2.117 -1.978 1.00 30.52 H new ATOM 0 HG12 VAL A 5 -1.795 1.084 -1.299 1.00 30.52 H new ATOM 0 HG13 VAL A 5 -2.835 2.038 -0.216 1.00 30.52 H new ATOM 0 HG21 VAL A 5 -2.827 4.602 -2.010 1.00 53.01 H new ATOM 0 HG22 VAL A 5 -2.553 4.694 -0.254 1.00 53.01 H new ATOM 0 HG23 VAL A 5 -1.354 5.375 -1.378 1.00 53.01 H new ATOM 73 N ILE A 6 0.638 1.053 0.860 1.00 63.32 N ATOM 74 CA ILE A 6 1.394 -0.213 0.920 1.00 1.32 C ATOM 75 C ILE A 6 0.423 -1.392 0.773 1.00 3.30 C ATOM 76 O ILE A 6 -0.398 -1.636 1.646 1.00 61.21 O ATOM 77 CB ILE A 6 2.206 -0.322 2.274 1.00 22.41 C ATOM 78 CG1 ILE A 6 3.230 0.850 2.398 1.00 14.35 C ATOM 79 CG2 ILE A 6 2.913 -1.693 2.424 1.00 20.00 C ATOM 80 CD1 ILE A 6 4.235 0.937 1.256 1.00 40.13 C ATOM 0 H ILE A 6 0.177 1.295 1.737 1.00 63.32 H new ATOM 0 HA ILE A 6 2.113 -0.236 0.101 1.00 1.32 H new ATOM 0 HB ILE A 6 1.487 -0.244 3.090 1.00 22.41 H new ATOM 0 HG12 ILE A 6 2.681 1.790 2.454 1.00 14.35 H new ATOM 0 HG13 ILE A 6 3.774 0.742 3.336 1.00 14.35 H new ATOM 0 HG21 ILE A 6 3.457 -1.720 3.368 1.00 20.00 H new ATOM 0 HG22 ILE A 6 2.169 -2.489 2.411 1.00 20.00 H new ATOM 0 HG23 ILE A 6 3.611 -1.835 1.599 1.00 20.00 H new ATOM 0 HD11 ILE A 6 4.906 1.779 1.425 1.00 40.13 H new ATOM 0 HD12 ILE A 6 4.814 0.015 1.210 1.00 40.13 H new ATOM 0 HD13 ILE A 6 3.704 1.079 0.315 1.00 40.13 H new ATOM 92 N VAL A 7 0.506 -2.094 -0.353 1.00 45.23 N ATOM 93 CA VAL A 7 -0.351 -3.245 -0.662 1.00 74.01 C ATOM 94 C VAL A 7 0.507 -4.516 -0.668 1.00 33.13 C ATOM 95 O VAL A 7 1.450 -4.626 -1.445 1.00 64.04 O ATOM 96 CB VAL A 7 -1.071 -3.074 -2.049 1.00 55.34 C ATOM 97 CG1 VAL A 7 -2.019 -4.258 -2.323 1.00 72.11 C ATOM 98 CG2 VAL A 7 -1.823 -1.725 -2.118 1.00 62.20 C ATOM 0 H VAL A 7 1.178 -1.880 -1.090 1.00 45.23 H new ATOM 0 HA VAL A 7 -1.125 -3.317 0.102 1.00 74.01 H new ATOM 0 HB VAL A 7 -0.310 -3.069 -2.829 1.00 55.34 H new ATOM 0 HG11 VAL A 7 -2.506 -4.118 -3.288 1.00 72.11 H new ATOM 0 HG12 VAL A 7 -1.448 -5.186 -2.336 1.00 72.11 H new ATOM 0 HG13 VAL A 7 -2.775 -4.308 -1.539 1.00 72.11 H new ATOM 0 HG21 VAL A 7 -2.313 -1.631 -3.087 1.00 62.20 H new ATOM 0 HG22 VAL A 7 -2.572 -1.685 -1.327 1.00 62.20 H new ATOM 0 HG23 VAL A 7 -1.115 -0.907 -1.988 1.00 62.20 H new ATOM 108 N VAL A 8 0.176 -5.459 0.221 1.00 21.40 N ATOM 109 CA VAL A 8 0.918 -6.710 0.412 1.00 1.22 C ATOM 110 C VAL A 8 0.051 -7.897 -0.038 1.00 73.23 C ATOM 111 O VAL A 8 -0.956 -8.199 0.606 1.00 43.05 O ATOM 112 CB VAL A 8 1.324 -6.881 1.927 1.00 61.23 C ATOM 113 CG1 VAL A 8 1.963 -8.262 2.197 1.00 35.32 C ATOM 114 CG2 VAL A 8 2.247 -5.723 2.384 1.00 32.14 C ATOM 0 H VAL A 8 -0.630 -5.372 0.840 1.00 21.40 H new ATOM 0 HA VAL A 8 1.827 -6.679 -0.189 1.00 1.22 H new ATOM 0 HB VAL A 8 0.412 -6.835 2.522 1.00 61.23 H new ATOM 0 HG11 VAL A 8 2.228 -8.340 3.251 1.00 35.32 H new ATOM 0 HG12 VAL A 8 1.252 -9.048 1.943 1.00 35.32 H new ATOM 0 HG13 VAL A 8 2.860 -8.373 1.588 1.00 35.32 H new ATOM 0 HG21 VAL A 8 2.514 -5.862 3.432 1.00 32.14 H new ATOM 0 HG22 VAL A 8 3.152 -5.718 1.777 1.00 32.14 H new ATOM 0 HG23 VAL A 8 1.725 -4.773 2.266 1.00 32.14 H new ATOM 124 N SER A 9 0.420 -8.538 -1.158 1.00 75.31 N ATOM 125 CA SER A 9 -0.221 -9.783 -1.624 1.00 22.14 C ATOM 126 C SER A 9 0.846 -10.693 -2.246 1.00 51.44 C ATOM 127 O SER A 9 1.669 -10.225 -3.040 1.00 44.21 O ATOM 128 CB SER A 9 -1.350 -9.482 -2.650 1.00 70.44 C ATOM 129 OG SER A 9 -2.310 -8.582 -2.117 1.00 5.20 O ATOM 0 H SER A 9 1.170 -8.210 -1.767 1.00 75.31 H new ATOM 0 HA SER A 9 -0.679 -10.287 -0.773 1.00 22.14 H new ATOM 0 HB2 SER A 9 -0.916 -9.059 -3.556 1.00 70.44 H new ATOM 0 HB3 SER A 9 -1.841 -10.412 -2.936 1.00 70.44 H new ATOM 0 HG SER A 9 -3.006 -8.412 -2.786 1.00 5.20 H new ATOM 135 N ARG A 10 0.841 -11.982 -1.852 1.00 41.43 N ATOM 136 CA ARG A 10 1.754 -13.001 -2.402 1.00 35.11 C ATOM 137 C ARG A 10 1.473 -13.217 -3.903 1.00 43.23 C ATOM 138 O ARG A 10 2.399 -13.282 -4.720 1.00 31.51 O ATOM 139 CB ARG A 10 1.601 -14.340 -1.620 1.00 54.41 C ATOM 140 CG ARG A 10 2.383 -15.545 -2.203 1.00 52.12 C ATOM 141 CD ARG A 10 3.911 -15.336 -2.212 1.00 22.11 C ATOM 142 NE ARG A 10 4.613 -16.390 -2.968 1.00 72.30 N ATOM 143 CZ ARG A 10 4.778 -16.402 -4.305 1.00 52.52 C ATOM 144 NH1 ARG A 10 4.291 -15.430 -5.072 1.00 2.31 N ATOM 145 NH2 ARG A 10 5.434 -17.394 -4.874 1.00 64.33 N ATOM 0 H ARG A 10 0.203 -12.345 -1.143 1.00 41.43 H new ATOM 0 HA ARG A 10 2.780 -12.649 -2.290 1.00 35.11 H new ATOM 0 HB2 ARG A 10 1.927 -14.180 -0.592 1.00 54.41 H new ATOM 0 HB3 ARG A 10 0.543 -14.600 -1.582 1.00 54.41 H new ATOM 0 HG2 ARG A 10 2.149 -16.437 -1.621 1.00 52.12 H new ATOM 0 HG3 ARG A 10 2.043 -15.731 -3.222 1.00 52.12 H new ATOM 0 HD2 ARG A 10 4.140 -14.364 -2.649 1.00 22.11 H new ATOM 0 HD3 ARG A 10 4.280 -15.320 -1.186 1.00 22.11 H new ATOM 0 HE ARG A 10 5.003 -17.169 -2.438 1.00 72.30 H new ATOM 0 HH11 ARG A 10 3.780 -14.655 -4.650 1.00 2.31 H new ATOM 0 HH12 ARG A 10 4.428 -15.460 -6.082 1.00 2.31 H new ATOM 0 HH21 ARG A 10 5.814 -18.148 -4.302 1.00 64.33 H new ATOM 0 HH22 ARG A 10 5.561 -17.407 -5.886 1.00 64.33 H new ATOM 159 N ASP A 11 0.182 -13.317 -4.239 1.00 63.14 N ATOM 160 CA ASP A 11 -0.269 -13.580 -5.606 1.00 1.42 C ATOM 161 C ASP A 11 -0.054 -12.344 -6.487 1.00 4.54 C ATOM 162 O ASP A 11 -0.591 -11.263 -6.192 1.00 64.34 O ATOM 163 CB ASP A 11 -1.763 -13.959 -5.612 1.00 21.54 C ATOM 164 CG ASP A 11 -2.068 -15.177 -4.736 1.00 43.22 C ATOM 165 OD1 ASP A 11 -2.306 -15.003 -3.521 1.00 2.44 O ATOM 166 OD2 ASP A 11 -2.061 -16.314 -5.255 1.00 63.55 O ATOM 0 H ASP A 11 -0.579 -13.217 -3.568 1.00 63.14 H new ATOM 0 HA ASP A 11 0.315 -14.410 -6.005 1.00 1.42 H new ATOM 0 HB2 ASP A 11 -2.350 -13.110 -5.263 1.00 21.54 H new ATOM 0 HB3 ASP A 11 -2.077 -14.165 -6.635 1.00 21.54 H new ATOM 171 N GLU A 12 0.718 -12.531 -7.572 1.00 35.34 N ATOM 172 CA GLU A 12 0.956 -11.494 -8.598 1.00 74.10 C ATOM 173 C GLU A 12 -0.351 -11.211 -9.362 1.00 52.04 C ATOM 174 O GLU A 12 -0.592 -10.088 -9.800 1.00 20.52 O ATOM 175 CB GLU A 12 2.081 -11.905 -9.606 1.00 31.12 C ATOM 176 CG GLU A 12 3.445 -12.313 -8.973 1.00 33.24 C ATOM 177 CD GLU A 12 3.519 -13.764 -8.443 1.00 35.12 C ATOM 178 OE1 GLU A 12 4.464 -14.081 -7.702 1.00 4.34 O ATOM 179 OE2 GLU A 12 2.664 -14.610 -8.797 1.00 45.32 O ATOM 0 H GLU A 12 1.198 -13.410 -7.765 1.00 35.34 H new ATOM 0 HA GLU A 12 1.292 -10.594 -8.084 1.00 74.10 H new ATOM 0 HB2 GLU A 12 1.717 -12.739 -10.207 1.00 31.12 H new ATOM 0 HB3 GLU A 12 2.253 -11.072 -10.288 1.00 31.12 H new ATOM 0 HG2 GLU A 12 4.228 -12.175 -9.718 1.00 33.24 H new ATOM 0 HG3 GLU A 12 3.664 -11.632 -8.151 1.00 33.24 H new ATOM 186 N ARG A 13 -1.197 -12.256 -9.479 1.00 40.34 N ATOM 187 CA ARG A 13 -2.525 -12.175 -10.114 1.00 63.02 C ATOM 188 C ARG A 13 -3.435 -11.140 -9.414 1.00 61.41 C ATOM 189 O ARG A 13 -4.254 -10.497 -10.067 1.00 53.34 O ATOM 190 CB ARG A 13 -3.206 -13.570 -10.121 1.00 44.23 C ATOM 191 CG ARG A 13 -2.510 -14.621 -11.014 1.00 71.42 C ATOM 192 CD ARG A 13 -3.178 -16.005 -10.909 1.00 41.13 C ATOM 193 NE ARG A 13 -2.516 -17.021 -11.744 1.00 51.31 N ATOM 194 CZ ARG A 13 -2.820 -18.332 -11.754 1.00 51.23 C ATOM 195 NH1 ARG A 13 -3.785 -18.822 -10.969 1.00 53.11 N ATOM 196 NH2 ARG A 13 -2.157 -19.153 -12.554 1.00 12.13 N ATOM 0 H ARG A 13 -0.973 -13.188 -9.131 1.00 40.34 H new ATOM 0 HA ARG A 13 -2.377 -11.843 -11.142 1.00 63.02 H new ATOM 0 HB2 ARG A 13 -3.242 -13.947 -9.099 1.00 44.23 H new ATOM 0 HB3 ARG A 13 -4.237 -13.455 -10.455 1.00 44.23 H new ATOM 0 HG2 ARG A 13 -2.532 -14.286 -12.051 1.00 71.42 H new ATOM 0 HG3 ARG A 13 -1.462 -14.702 -10.727 1.00 71.42 H new ATOM 0 HD2 ARG A 13 -3.166 -16.332 -9.869 1.00 41.13 H new ATOM 0 HD3 ARG A 13 -4.224 -15.922 -11.205 1.00 41.13 H new ATOM 0 HE ARG A 13 -1.769 -16.707 -12.363 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -4.304 -18.199 -10.350 1.00 53.11 H new ATOM 0 HH12 ARG A 13 -4.002 -19.818 -10.989 1.00 53.11 H new ATOM 0 HH21 ARG A 13 -1.420 -18.791 -13.159 1.00 12.13 H new ATOM 0 HH22 ARG A 13 -2.384 -20.147 -12.565 1.00 12.13 H new ATOM 210 N ILE A 14 -3.273 -10.987 -8.085 1.00 2.02 N ATOM 211 CA ILE A 14 -4.010 -9.973 -7.309 1.00 51.13 C ATOM 212 C ILE A 14 -3.377 -8.585 -7.543 1.00 35.21 C ATOM 213 O ILE A 14 -4.088 -7.635 -7.864 1.00 51.23 O ATOM 214 CB ILE A 14 -4.051 -10.315 -5.766 1.00 21.20 C ATOM 215 CG1 ILE A 14 -4.671 -11.730 -5.531 1.00 31.31 C ATOM 216 CG2 ILE A 14 -4.845 -9.243 -4.976 1.00 13.31 C ATOM 217 CD1 ILE A 14 -4.734 -12.168 -4.074 1.00 33.40 C ATOM 0 H ILE A 14 -2.636 -11.555 -7.526 1.00 2.02 H new ATOM 0 HA ILE A 14 -5.043 -9.967 -7.657 1.00 51.13 H new ATOM 0 HB ILE A 14 -3.025 -10.318 -5.399 1.00 21.20 H new ATOM 0 HG12 ILE A 14 -5.680 -11.741 -5.943 1.00 31.31 H new ATOM 0 HG13 ILE A 14 -4.090 -12.463 -6.091 1.00 31.31 H new ATOM 0 HG21 ILE A 14 -4.856 -9.505 -3.918 1.00 13.31 H new ATOM 0 HG22 ILE A 14 -4.370 -8.270 -5.104 1.00 13.31 H new ATOM 0 HG23 ILE A 14 -5.868 -9.199 -5.350 1.00 13.31 H new ATOM 0 HD11 ILE A 14 -5.179 -13.161 -4.012 1.00 33.40 H new ATOM 0 HD12 ILE A 14 -3.727 -12.195 -3.658 1.00 33.40 H new ATOM 0 HD13 ILE A 14 -5.342 -11.462 -3.508 1.00 33.40 H new ATOM 229 N LEU A 15 -2.025 -8.509 -7.436 1.00 5.15 N ATOM 230 CA LEU A 15 -1.255 -7.238 -7.567 1.00 73.33 C ATOM 231 C LEU A 15 -1.520 -6.515 -8.916 1.00 54.32 C ATOM 232 O LEU A 15 -1.567 -5.280 -8.961 1.00 41.13 O ATOM 233 CB LEU A 15 0.273 -7.503 -7.395 1.00 52.31 C ATOM 234 CG LEU A 15 0.735 -8.109 -6.028 1.00 4.14 C ATOM 235 CD1 LEU A 15 2.258 -8.392 -6.031 1.00 65.34 C ATOM 236 CD2 LEU A 15 0.333 -7.199 -4.844 1.00 61.05 C ATOM 0 H LEU A 15 -1.437 -9.323 -7.257 1.00 5.15 H new ATOM 0 HA LEU A 15 -1.602 -6.578 -6.772 1.00 73.33 H new ATOM 0 HB2 LEU A 15 0.593 -8.176 -8.190 1.00 52.31 H new ATOM 0 HB3 LEU A 15 0.800 -6.561 -7.544 1.00 52.31 H new ATOM 0 HG LEU A 15 0.221 -9.061 -5.896 1.00 4.14 H new ATOM 0 HD11 LEU A 15 2.552 -8.812 -5.069 1.00 65.34 H new ATOM 0 HD12 LEU A 15 2.495 -9.101 -6.825 1.00 65.34 H new ATOM 0 HD13 LEU A 15 2.801 -7.462 -6.201 1.00 65.34 H new ATOM 0 HD21 LEU A 15 0.668 -7.648 -3.909 1.00 61.05 H new ATOM 0 HD22 LEU A 15 0.798 -6.220 -4.963 1.00 61.05 H new ATOM 0 HD23 LEU A 15 -0.751 -7.086 -4.824 1.00 61.05 H new ATOM 248 N GLU A 16 -1.705 -7.303 -9.997 1.00 32.04 N ATOM 249 CA GLU A 16 -1.932 -6.766 -11.364 1.00 42.41 C ATOM 250 C GLU A 16 -3.368 -6.228 -11.530 1.00 1.52 C ATOM 251 O GLU A 16 -3.596 -5.282 -12.292 1.00 65.30 O ATOM 252 CB GLU A 16 -1.627 -7.846 -12.437 1.00 20.34 C ATOM 253 CG GLU A 16 -2.510 -9.105 -12.353 1.00 51.43 C ATOM 254 CD GLU A 16 -2.184 -10.160 -13.421 1.00 42.41 C ATOM 255 OE1 GLU A 16 -2.908 -10.240 -14.438 1.00 64.52 O ATOM 256 OE2 GLU A 16 -1.200 -10.909 -13.243 1.00 55.42 O ATOM 0 H GLU A 16 -1.702 -8.322 -9.952 1.00 32.04 H new ATOM 0 HA GLU A 16 -1.246 -5.931 -11.507 1.00 42.41 H new ATOM 0 HB2 GLU A 16 -1.746 -7.401 -13.425 1.00 20.34 H new ATOM 0 HB3 GLU A 16 -0.583 -8.145 -12.346 1.00 20.34 H new ATOM 0 HG2 GLU A 16 -2.396 -9.553 -11.366 1.00 51.43 H new ATOM 0 HG3 GLU A 16 -3.555 -8.812 -12.451 1.00 51.43 H new ATOM 263 N GLU A 17 -4.328 -6.837 -10.814 1.00 21.41 N ATOM 264 CA GLU A 17 -5.727 -6.374 -10.799 1.00 22.42 C ATOM 265 C GLU A 17 -5.848 -5.060 -10.029 1.00 30.12 C ATOM 266 O GLU A 17 -6.555 -4.143 -10.453 1.00 22.23 O ATOM 267 CB GLU A 17 -6.639 -7.453 -10.174 1.00 5.54 C ATOM 268 CG GLU A 17 -6.788 -8.710 -11.036 1.00 1.34 C ATOM 269 CD GLU A 17 -7.404 -8.421 -12.416 1.00 22.32 C ATOM 270 OE1 GLU A 17 -6.681 -8.441 -13.433 1.00 24.44 O ATOM 271 OE2 GLU A 17 -8.622 -8.142 -12.484 1.00 35.22 O ATOM 0 H GLU A 17 -4.159 -7.658 -10.233 1.00 21.41 H new ATOM 0 HA GLU A 17 -6.047 -6.200 -11.826 1.00 22.42 H new ATOM 0 HB2 GLU A 17 -6.237 -7.736 -9.201 1.00 5.54 H new ATOM 0 HB3 GLU A 17 -7.626 -7.025 -9.999 1.00 5.54 H new ATOM 0 HG2 GLU A 17 -5.809 -9.170 -11.170 1.00 1.34 H new ATOM 0 HG3 GLU A 17 -7.411 -9.433 -10.510 1.00 1.34 H new ATOM 278 N LEU A 18 -5.125 -4.991 -8.901 1.00 23.51 N ATOM 279 CA LEU A 18 -5.070 -3.806 -8.032 1.00 62.12 C ATOM 280 C LEU A 18 -4.328 -2.655 -8.725 1.00 5.03 C ATOM 281 O LEU A 18 -4.640 -1.480 -8.499 1.00 31.00 O ATOM 282 CB LEU A 18 -4.382 -4.180 -6.696 1.00 13.05 C ATOM 283 CG LEU A 18 -5.045 -5.344 -5.900 1.00 31.42 C ATOM 284 CD1 LEU A 18 -4.311 -5.619 -4.578 1.00 5.34 C ATOM 285 CD2 LEU A 18 -6.536 -5.086 -5.669 1.00 74.22 C ATOM 0 H LEU A 18 -4.555 -5.766 -8.563 1.00 23.51 H new ATOM 0 HA LEU A 18 -6.085 -3.467 -7.827 1.00 62.12 H new ATOM 0 HB2 LEU A 18 -3.347 -4.450 -6.904 1.00 13.05 H new ATOM 0 HB3 LEU A 18 -4.359 -3.295 -6.060 1.00 13.05 H new ATOM 0 HG LEU A 18 -4.958 -6.243 -6.510 1.00 31.42 H new ATOM 0 HD11 LEU A 18 -4.803 -6.437 -4.052 1.00 5.34 H new ATOM 0 HD12 LEU A 18 -3.276 -5.892 -4.786 1.00 5.34 H new ATOM 0 HD13 LEU A 18 -4.332 -4.723 -3.957 1.00 5.34 H new ATOM 0 HD21 LEU A 18 -6.967 -5.917 -5.111 1.00 74.22 H new ATOM 0 HD22 LEU A 18 -6.662 -4.164 -5.101 1.00 74.22 H new ATOM 0 HD23 LEU A 18 -7.042 -4.993 -6.630 1.00 74.22 H new ATOM 297 N LEU A 19 -3.357 -3.031 -9.584 1.00 73.40 N ATOM 298 CA LEU A 19 -2.601 -2.100 -10.434 1.00 1.43 C ATOM 299 C LEU A 19 -3.560 -1.314 -11.337 1.00 24.24 C ATOM 300 O LEU A 19 -3.513 -0.085 -11.365 1.00 31.45 O ATOM 301 CB LEU A 19 -1.570 -2.880 -11.296 1.00 43.14 C ATOM 302 CG LEU A 19 -0.683 -2.033 -12.263 1.00 32.00 C ATOM 303 CD1 LEU A 19 0.223 -1.058 -11.489 1.00 61.44 C ATOM 304 CD2 LEU A 19 0.134 -2.939 -13.206 1.00 35.25 C ATOM 0 H LEU A 19 -3.076 -4.004 -9.705 1.00 73.40 H new ATOM 0 HA LEU A 19 -2.064 -1.397 -9.797 1.00 1.43 H new ATOM 0 HB2 LEU A 19 -0.912 -3.431 -10.624 1.00 43.14 H new ATOM 0 HB3 LEU A 19 -2.111 -3.618 -11.888 1.00 43.14 H new ATOM 0 HG LEU A 19 -1.350 -1.432 -12.881 1.00 32.00 H new ATOM 0 HD11 LEU A 19 0.826 -0.485 -12.193 1.00 61.44 H new ATOM 0 HD12 LEU A 19 -0.393 -0.378 -10.901 1.00 61.44 H new ATOM 0 HD13 LEU A 19 0.878 -1.620 -10.824 1.00 61.44 H new ATOM 0 HD21 LEU A 19 0.742 -2.322 -13.867 1.00 35.25 H new ATOM 0 HD22 LEU A 19 0.783 -3.587 -12.616 1.00 35.25 H new ATOM 0 HD23 LEU A 19 -0.544 -3.550 -13.802 1.00 35.25 H new ATOM 316 N GLU A 20 -4.460 -2.055 -12.024 1.00 12.01 N ATOM 317 CA GLU A 20 -5.468 -1.466 -12.926 1.00 0.22 C ATOM 318 C GLU A 20 -6.374 -0.474 -12.192 1.00 31.24 C ATOM 319 O GLU A 20 -6.642 0.609 -12.707 1.00 72.11 O ATOM 320 CB GLU A 20 -6.324 -2.572 -13.599 1.00 22.42 C ATOM 321 CG GLU A 20 -5.518 -3.559 -14.467 1.00 14.12 C ATOM 322 CD GLU A 20 -4.676 -2.861 -15.553 1.00 61.31 C ATOM 323 OE1 GLU A 20 -3.452 -2.684 -15.364 1.00 35.14 O ATOM 324 OE2 GLU A 20 -5.236 -2.478 -16.601 1.00 34.11 O ATOM 0 H GLU A 20 -4.505 -3.072 -11.967 1.00 12.01 H new ATOM 0 HA GLU A 20 -4.927 -0.920 -13.699 1.00 0.22 H new ATOM 0 HB2 GLU A 20 -6.847 -3.132 -12.824 1.00 22.42 H new ATOM 0 HB3 GLU A 20 -7.085 -2.099 -14.219 1.00 22.42 H new ATOM 0 HG2 GLU A 20 -4.859 -4.144 -13.825 1.00 14.12 H new ATOM 0 HG3 GLU A 20 -6.204 -4.260 -14.942 1.00 14.12 H new ATOM 331 N VAL A 21 -6.787 -0.843 -10.964 1.00 61.52 N ATOM 332 CA VAL A 21 -7.703 -0.033 -10.132 1.00 21.23 C ATOM 333 C VAL A 21 -7.106 1.365 -9.824 1.00 31.41 C ATOM 334 O VAL A 21 -7.838 2.372 -9.821 1.00 11.14 O ATOM 335 CB VAL A 21 -8.062 -0.770 -8.792 1.00 33.05 C ATOM 336 CG1 VAL A 21 -9.024 0.063 -7.921 1.00 11.43 C ATOM 337 CG2 VAL A 21 -8.659 -2.165 -9.062 1.00 60.52 C ATOM 0 H VAL A 21 -6.495 -1.713 -10.519 1.00 61.52 H new ATOM 0 HA VAL A 21 -8.618 0.103 -10.709 1.00 21.23 H new ATOM 0 HB VAL A 21 -7.130 -0.894 -8.240 1.00 33.05 H new ATOM 0 HG11 VAL A 21 -9.248 -0.481 -7.004 1.00 11.43 H new ATOM 0 HG12 VAL A 21 -8.557 1.016 -7.673 1.00 11.43 H new ATOM 0 HG13 VAL A 21 -9.948 0.244 -8.470 1.00 11.43 H new ATOM 0 HG21 VAL A 21 -8.897 -2.649 -8.115 1.00 60.52 H new ATOM 0 HG22 VAL A 21 -9.568 -2.063 -9.655 1.00 60.52 H new ATOM 0 HG23 VAL A 21 -7.936 -2.771 -9.607 1.00 60.52 H new ATOM 347 N VAL A 22 -5.772 1.414 -9.593 1.00 65.43 N ATOM 348 CA VAL A 22 -5.043 2.688 -9.402 1.00 32.21 C ATOM 349 C VAL A 22 -5.151 3.547 -10.676 1.00 62.13 C ATOM 350 O VAL A 22 -5.448 4.734 -10.613 1.00 21.53 O ATOM 351 CB VAL A 22 -3.511 2.492 -9.071 1.00 24.54 C ATOM 352 CG1 VAL A 22 -2.839 3.850 -8.740 1.00 33.05 C ATOM 353 CG2 VAL A 22 -3.299 1.477 -7.933 1.00 54.40 C ATOM 0 H VAL A 22 -5.180 0.585 -9.535 1.00 65.43 H new ATOM 0 HA VAL A 22 -5.509 3.177 -8.547 1.00 32.21 H new ATOM 0 HB VAL A 22 -3.033 2.084 -9.962 1.00 24.54 H new ATOM 0 HG11 VAL A 22 -1.785 3.689 -8.516 1.00 33.05 H new ATOM 0 HG12 VAL A 22 -2.930 4.519 -9.596 1.00 33.05 H new ATOM 0 HG13 VAL A 22 -3.330 4.298 -7.876 1.00 33.05 H new ATOM 0 HG21 VAL A 22 -2.233 1.370 -7.735 1.00 54.40 H new ATOM 0 HG22 VAL A 22 -3.802 1.830 -7.032 1.00 54.40 H new ATOM 0 HG23 VAL A 22 -3.713 0.512 -8.225 1.00 54.40 H new ATOM 363 N LEU A 23 -4.952 2.889 -11.831 1.00 64.10 N ATOM 364 CA LEU A 23 -4.855 3.556 -13.145 1.00 5.53 C ATOM 365 C LEU A 23 -6.221 4.072 -13.641 1.00 21.14 C ATOM 366 O LEU A 23 -6.268 4.990 -14.468 1.00 34.41 O ATOM 367 CB LEU A 23 -4.225 2.584 -14.186 1.00 35.32 C ATOM 368 CG LEU A 23 -2.886 1.902 -13.753 1.00 1.05 C ATOM 369 CD1 LEU A 23 -2.322 0.990 -14.860 1.00 65.21 C ATOM 370 CD2 LEU A 23 -1.840 2.927 -13.269 1.00 13.21 C ATOM 0 H LEU A 23 -4.853 1.875 -11.882 1.00 64.10 H new ATOM 0 HA LEU A 23 -4.212 4.428 -13.027 1.00 5.53 H new ATOM 0 HB2 LEU A 23 -4.952 1.804 -14.414 1.00 35.32 H new ATOM 0 HB3 LEU A 23 -4.049 3.135 -15.110 1.00 35.32 H new ATOM 0 HG LEU A 23 -3.121 1.265 -12.900 1.00 1.05 H new ATOM 0 HD11 LEU A 23 -1.392 0.536 -14.519 1.00 65.21 H new ATOM 0 HD12 LEU A 23 -3.045 0.207 -15.090 1.00 65.21 H new ATOM 0 HD13 LEU A 23 -2.130 1.581 -15.756 1.00 65.21 H new ATOM 0 HD21 LEU A 23 -0.927 2.406 -12.979 1.00 13.21 H new ATOM 0 HD22 LEU A 23 -1.618 3.628 -14.074 1.00 13.21 H new ATOM 0 HD23 LEU A 23 -2.235 3.472 -12.412 1.00 13.21 H new ATOM 382 N LYS A 24 -7.328 3.467 -13.153 1.00 53.02 N ATOM 383 CA LYS A 24 -8.701 3.900 -13.514 1.00 41.43 C ATOM 384 C LYS A 24 -9.029 5.228 -12.813 1.00 1.12 C ATOM 385 O LYS A 24 -9.498 6.182 -13.441 1.00 23.30 O ATOM 386 CB LYS A 24 -9.772 2.837 -13.114 1.00 13.43 C ATOM 387 CG LYS A 24 -9.509 1.403 -13.614 1.00 54.05 C ATOM 388 CD LYS A 24 -9.281 1.307 -15.139 1.00 31.02 C ATOM 389 CE LYS A 24 -8.972 -0.131 -15.586 1.00 5.45 C ATOM 390 NZ LYS A 24 -8.757 -0.218 -17.055 1.00 14.34 N ATOM 0 H LYS A 24 -7.299 2.677 -12.508 1.00 53.02 H new ATOM 0 HA LYS A 24 -8.730 4.023 -14.597 1.00 41.43 H new ATOM 0 HB2 LYS A 24 -9.847 2.815 -12.027 1.00 13.43 H new ATOM 0 HB3 LYS A 24 -10.740 3.163 -13.494 1.00 13.43 H new ATOM 0 HG2 LYS A 24 -8.635 1.003 -13.099 1.00 54.05 H new ATOM 0 HG3 LYS A 24 -10.355 0.772 -13.342 1.00 54.05 H new ATOM 0 HD2 LYS A 24 -10.168 1.666 -15.661 1.00 31.02 H new ATOM 0 HD3 LYS A 24 -8.456 1.960 -15.424 1.00 31.02 H new ATOM 0 HE2 LYS A 24 -8.084 -0.490 -15.067 1.00 5.45 H new ATOM 0 HE3 LYS A 24 -9.795 -0.786 -15.300 1.00 5.45 H new ATOM 0 HZ1 LYS A 24 -8.551 -1.203 -17.318 1.00 14.34 H new ATOM 0 HZ2 LYS A 24 -9.614 0.101 -17.551 1.00 14.34 H new ATOM 0 HZ3 LYS A 24 -7.955 0.387 -17.325 1.00 14.34 H new ATOM 404 N SER A 25 -8.756 5.255 -11.500 1.00 52.12 N ATOM 405 CA SER A 25 -9.066 6.389 -10.620 1.00 25.33 C ATOM 406 C SER A 25 -8.129 7.578 -10.909 1.00 71.44 C ATOM 407 O SER A 25 -8.591 8.700 -11.155 1.00 32.22 O ATOM 408 CB SER A 25 -8.950 5.927 -9.148 1.00 41.51 C ATOM 409 OG SER A 25 -7.713 5.270 -8.920 1.00 64.33 O ATOM 0 H SER A 25 -8.307 4.478 -11.014 1.00 52.12 H new ATOM 0 HA SER A 25 -10.084 6.730 -10.808 1.00 25.33 H new ATOM 0 HB2 SER A 25 -9.037 6.787 -8.485 1.00 41.51 H new ATOM 0 HB3 SER A 25 -9.773 5.254 -8.908 1.00 41.51 H new ATOM 0 HG SER A 25 -7.802 4.320 -9.142 1.00 64.33 H new ATOM 415 N ASP A 26 -6.811 7.311 -10.893 1.00 61.23 N ATOM 416 CA ASP A 26 -5.785 8.321 -11.194 1.00 13.52 C ATOM 417 C ASP A 26 -4.462 7.642 -11.628 1.00 62.12 C ATOM 418 O ASP A 26 -3.726 7.118 -10.779 1.00 73.23 O ATOM 419 CB ASP A 26 -5.544 9.256 -9.971 1.00 13.02 C ATOM 420 CG ASP A 26 -4.614 10.441 -10.292 1.00 44.03 C ATOM 421 OD1 ASP A 26 -3.642 10.697 -9.549 1.00 44.41 O ATOM 422 OD2 ASP A 26 -4.856 11.132 -11.305 1.00 1.25 O ATOM 0 H ASP A 26 -6.430 6.391 -10.672 1.00 61.23 H new ATOM 0 HA ASP A 26 -6.147 8.933 -12.020 1.00 13.52 H new ATOM 0 HB2 ASP A 26 -6.502 9.638 -9.619 1.00 13.02 H new ATOM 0 HB3 ASP A 26 -5.114 8.675 -9.156 1.00 13.02 H new ATOM 427 N PRO A 27 -4.134 7.639 -12.964 1.00 23.41 N ATOM 428 CA PRO A 27 -2.848 7.092 -13.472 1.00 41.33 C ATOM 429 C PRO A 27 -1.639 8.010 -13.174 1.00 61.33 C ATOM 430 O PRO A 27 -0.496 7.654 -13.486 1.00 43.44 O ATOM 431 CB PRO A 27 -3.107 6.953 -14.996 1.00 23.22 C ATOM 432 CG PRO A 27 -4.112 8.021 -15.309 1.00 1.25 C ATOM 433 CD PRO A 27 -4.998 8.127 -14.080 1.00 24.21 C ATOM 0 HA PRO A 27 -2.578 6.153 -12.990 1.00 41.33 H new ATOM 0 HB2 PRO A 27 -2.190 7.092 -15.568 1.00 23.22 H new ATOM 0 HB3 PRO A 27 -3.490 5.963 -15.244 1.00 23.22 H new ATOM 0 HG2 PRO A 27 -3.621 8.971 -15.520 1.00 1.25 H new ATOM 0 HG3 PRO A 27 -4.697 7.761 -16.192 1.00 1.25 H new ATOM 0 HD2 PRO A 27 -5.325 9.153 -13.912 1.00 24.21 H new ATOM 0 HD3 PRO A 27 -5.897 7.519 -14.183 1.00 24.21 H new ATOM 441 N ASN A 28 -1.905 9.190 -12.575 1.00 55.31 N ATOM 442 CA ASN A 28 -0.855 10.149 -12.166 1.00 12.32 C ATOM 443 C ASN A 28 -0.210 9.729 -10.833 1.00 1.41 C ATOM 444 O ASN A 28 0.881 10.210 -10.490 1.00 75.42 O ATOM 445 CB ASN A 28 -1.432 11.578 -12.065 1.00 33.53 C ATOM 446 CG ASN A 28 -1.926 12.111 -13.408 1.00 41.44 C ATOM 447 OD1 ASN A 28 -1.175 12.728 -14.163 1.00 0.44 O ATOM 448 ND2 ASN A 28 -3.190 11.870 -13.720 1.00 41.12 N ATOM 0 H ASN A 28 -2.851 9.505 -12.361 1.00 55.31 H new ATOM 0 HA ASN A 28 -0.079 10.144 -12.931 1.00 12.32 H new ATOM 0 HB2 ASN A 28 -2.256 11.583 -11.352 1.00 33.53 H new ATOM 0 HB3 ASN A 28 -0.667 12.247 -11.673 1.00 33.53 H new ATOM 0 HD21 ASN A 28 -3.568 12.199 -14.609 1.00 41.12 H new ATOM 0 HD22 ASN A 28 -3.786 11.356 -13.072 1.00 41.12 H new ATOM 455 N VAL A 29 -0.902 8.849 -10.081 1.00 73.41 N ATOM 456 CA VAL A 29 -0.310 8.148 -8.932 1.00 14.05 C ATOM 457 C VAL A 29 0.775 7.182 -9.447 1.00 75.11 C ATOM 458 O VAL A 29 0.485 6.335 -10.302 1.00 14.30 O ATOM 459 CB VAL A 29 -1.390 7.336 -8.109 1.00 55.34 C ATOM 460 CG1 VAL A 29 -0.742 6.535 -6.955 1.00 42.35 C ATOM 461 CG2 VAL A 29 -2.504 8.259 -7.573 1.00 54.42 C ATOM 0 H VAL A 29 -1.878 8.608 -10.254 1.00 73.41 H new ATOM 0 HA VAL A 29 0.119 8.894 -8.263 1.00 14.05 H new ATOM 0 HB VAL A 29 -1.845 6.624 -8.797 1.00 55.34 H new ATOM 0 HG11 VAL A 29 -1.514 5.990 -6.412 1.00 42.35 H new ATOM 0 HG12 VAL A 29 -0.019 5.829 -7.363 1.00 42.35 H new ATOM 0 HG13 VAL A 29 -0.236 7.221 -6.275 1.00 42.35 H new ATOM 0 HG21 VAL A 29 -3.228 7.668 -7.013 1.00 54.42 H new ATOM 0 HG22 VAL A 29 -2.068 9.014 -6.919 1.00 54.42 H new ATOM 0 HG23 VAL A 29 -3.004 8.749 -8.409 1.00 54.42 H new ATOM 471 N LYS A 30 2.017 7.350 -8.959 1.00 22.12 N ATOM 472 CA LYS A 30 3.130 6.443 -9.284 1.00 34.41 C ATOM 473 C LYS A 30 2.820 5.034 -8.745 1.00 21.12 C ATOM 474 O LYS A 30 2.325 4.894 -7.636 1.00 74.20 O ATOM 475 CB LYS A 30 4.464 6.986 -8.692 1.00 41.41 C ATOM 476 CG LYS A 30 5.696 6.055 -8.855 1.00 3.52 C ATOM 477 CD LYS A 30 6.050 5.747 -10.331 1.00 14.14 C ATOM 478 CE LYS A 30 7.114 4.649 -10.464 1.00 23.22 C ATOM 479 NZ LYS A 30 7.399 4.293 -11.888 1.00 3.12 N ATOM 0 H LYS A 30 2.275 8.113 -8.333 1.00 22.12 H new ATOM 0 HA LYS A 30 3.245 6.386 -10.366 1.00 34.41 H new ATOM 0 HB2 LYS A 30 4.688 7.942 -9.165 1.00 41.41 H new ATOM 0 HB3 LYS A 30 4.317 7.182 -7.630 1.00 41.41 H new ATOM 0 HG2 LYS A 30 6.557 6.518 -8.373 1.00 3.52 H new ATOM 0 HG3 LYS A 30 5.504 5.118 -8.333 1.00 3.52 H new ATOM 0 HD2 LYS A 30 5.148 5.441 -10.861 1.00 14.14 H new ATOM 0 HD3 LYS A 30 6.409 6.657 -10.812 1.00 14.14 H new ATOM 0 HE2 LYS A 30 8.035 4.981 -9.985 1.00 23.22 H new ATOM 0 HE3 LYS A 30 6.781 3.759 -9.931 1.00 23.22 H new ATOM 0 HZ1 LYS A 30 8.124 3.548 -11.921 1.00 3.12 H new ATOM 0 HZ2 LYS A 30 6.528 3.950 -12.341 1.00 3.12 H new ATOM 0 HZ3 LYS A 30 7.744 5.134 -12.394 1.00 3.12 H new ATOM 493 N THR A 31 3.060 4.008 -9.552 1.00 12.13 N ATOM 494 CA THR A 31 2.874 2.609 -9.143 1.00 52.05 C ATOM 495 C THR A 31 4.180 1.845 -9.319 1.00 33.44 C ATOM 496 O THR A 31 4.862 2.001 -10.343 1.00 1.41 O ATOM 497 CB THR A 31 1.749 1.930 -9.982 1.00 31.41 C ATOM 498 OG1 THR A 31 2.022 2.096 -11.385 1.00 21.43 O ATOM 499 CG2 THR A 31 0.361 2.504 -9.673 1.00 15.11 C ATOM 0 H THR A 31 3.390 4.116 -10.511 1.00 12.13 H new ATOM 0 HA THR A 31 2.579 2.592 -8.094 1.00 52.05 H new ATOM 0 HB THR A 31 1.742 0.874 -9.713 1.00 31.41 H new ATOM 0 HG1 THR A 31 1.314 1.667 -11.909 1.00 21.43 H new ATOM 0 HG21 THR A 31 -0.386 1.997 -10.283 1.00 15.11 H new ATOM 0 HG22 THR A 31 0.131 2.353 -8.618 1.00 15.11 H new ATOM 0 HG23 THR A 31 0.350 3.571 -9.897 1.00 15.11 H new ATOM 507 N VAL A 32 4.526 1.035 -8.310 1.00 34.21 N ATOM 508 CA VAL A 32 5.705 0.157 -8.322 1.00 14.13 C ATOM 509 C VAL A 32 5.291 -1.211 -7.782 1.00 60.22 C ATOM 510 O VAL A 32 4.699 -1.284 -6.714 1.00 54.44 O ATOM 511 CB VAL A 32 6.893 0.709 -7.432 1.00 62.13 C ATOM 512 CG1 VAL A 32 8.118 -0.240 -7.473 1.00 72.10 C ATOM 513 CG2 VAL A 32 7.284 2.141 -7.851 1.00 22.42 C ATOM 0 H VAL A 32 3.986 0.970 -7.447 1.00 34.21 H new ATOM 0 HA VAL A 32 6.064 0.101 -9.350 1.00 14.13 H new ATOM 0 HB VAL A 32 6.541 0.748 -6.401 1.00 62.13 H new ATOM 0 HG11 VAL A 32 8.915 0.168 -6.852 1.00 72.10 H new ATOM 0 HG12 VAL A 32 7.831 -1.222 -7.096 1.00 72.10 H new ATOM 0 HG13 VAL A 32 8.471 -0.335 -8.500 1.00 72.10 H new ATOM 0 HG21 VAL A 32 8.102 2.493 -7.223 1.00 22.42 H new ATOM 0 HG22 VAL A 32 7.602 2.141 -8.894 1.00 22.42 H new ATOM 0 HG23 VAL A 32 6.425 2.802 -7.733 1.00 22.42 H new ATOM 523 N ARG A 33 5.593 -2.279 -8.523 1.00 53.35 N ATOM 524 CA ARG A 33 5.449 -3.655 -8.049 1.00 44.13 C ATOM 525 C ARG A 33 6.861 -4.201 -7.787 1.00 11.35 C ATOM 526 O ARG A 33 7.596 -4.530 -8.731 1.00 75.02 O ATOM 527 CB ARG A 33 4.700 -4.517 -9.091 1.00 15.42 C ATOM 528 CG ARG A 33 4.552 -6.005 -8.694 1.00 41.52 C ATOM 529 CD ARG A 33 3.929 -6.838 -9.819 1.00 34.30 C ATOM 530 NE ARG A 33 4.684 -6.712 -11.082 1.00 3.22 N ATOM 531 CZ ARG A 33 4.147 -6.570 -12.309 1.00 73.53 C ATOM 532 NH1 ARG A 33 2.823 -6.536 -12.489 1.00 64.51 N ATOM 533 NH2 ARG A 33 4.951 -6.444 -13.354 1.00 63.43 N ATOM 0 H ARG A 33 5.947 -2.211 -9.477 1.00 53.35 H new ATOM 0 HA ARG A 33 4.859 -3.686 -7.133 1.00 44.13 H new ATOM 0 HB2 ARG A 33 3.708 -4.094 -9.250 1.00 15.42 H new ATOM 0 HB3 ARG A 33 5.228 -4.457 -10.043 1.00 15.42 H new ATOM 0 HG2 ARG A 33 5.531 -6.412 -8.440 1.00 41.52 H new ATOM 0 HG3 ARG A 33 3.933 -6.082 -7.800 1.00 41.52 H new ATOM 0 HD2 ARG A 33 3.896 -7.885 -9.519 1.00 34.30 H new ATOM 0 HD3 ARG A 33 2.899 -6.519 -9.979 1.00 34.30 H new ATOM 0 HE ARG A 33 5.702 -6.734 -11.020 1.00 3.22 H new ATOM 0 HH11 ARG A 33 2.197 -6.618 -11.688 1.00 64.51 H new ATOM 0 HH12 ARG A 33 2.439 -6.428 -13.428 1.00 64.51 H new ATOM 0 HH21 ARG A 33 5.963 -6.455 -13.223 1.00 63.43 H new ATOM 0 HH22 ARG A 33 4.559 -6.336 -14.289 1.00 63.43 H new ATOM 547 N THR A 34 7.257 -4.215 -6.514 1.00 42.33 N ATOM 548 CA THR A 34 8.590 -4.663 -6.078 1.00 54.54 C ATOM 549 C THR A 34 8.474 -5.854 -5.103 1.00 24.03 C ATOM 550 O THR A 34 7.378 -6.223 -4.662 1.00 5.52 O ATOM 551 CB THR A 34 9.397 -3.471 -5.445 1.00 13.22 C ATOM 552 OG1 THR A 34 10.727 -3.893 -5.090 1.00 44.23 O ATOM 553 CG2 THR A 34 8.701 -2.882 -4.212 1.00 71.24 C ATOM 0 H THR A 34 6.659 -3.913 -5.745 1.00 42.33 H new ATOM 0 HA THR A 34 9.143 -5.007 -6.952 1.00 54.54 H new ATOM 0 HB THR A 34 9.448 -2.690 -6.204 1.00 13.22 H new ATOM 0 HG1 THR A 34 11.293 -3.900 -5.890 1.00 44.23 H new ATOM 0 HG21 THR A 34 9.299 -2.063 -3.813 1.00 71.24 H new ATOM 0 HG22 THR A 34 7.716 -2.509 -4.494 1.00 71.24 H new ATOM 0 HG23 THR A 34 8.592 -3.655 -3.452 1.00 71.24 H new ATOM 561 N ASP A 35 9.620 -6.456 -4.799 1.00 0.20 N ATOM 562 CA ASP A 35 9.745 -7.601 -3.886 1.00 22.14 C ATOM 563 C ASP A 35 10.603 -7.199 -2.668 1.00 33.15 C ATOM 564 O ASP A 35 10.498 -7.791 -1.594 1.00 52.44 O ATOM 565 CB ASP A 35 10.382 -8.786 -4.667 1.00 22.10 C ATOM 566 CG ASP A 35 10.427 -10.105 -3.876 1.00 12.32 C ATOM 567 OD1 ASP A 35 9.403 -10.816 -3.831 1.00 20.10 O ATOM 568 OD2 ASP A 35 11.488 -10.456 -3.323 1.00 23.04 O ATOM 0 H ASP A 35 10.514 -6.157 -5.188 1.00 0.20 H new ATOM 0 HA ASP A 35 8.767 -7.909 -3.515 1.00 22.14 H new ATOM 0 HB2 ASP A 35 9.820 -8.945 -5.587 1.00 22.10 H new ATOM 0 HB3 ASP A 35 11.397 -8.513 -4.957 1.00 22.10 H new ATOM 573 N ASP A 36 11.418 -6.144 -2.844 1.00 33.44 N ATOM 574 CA ASP A 36 12.441 -5.718 -1.865 1.00 72.21 C ATOM 575 C ASP A 36 11.906 -4.546 -1.024 1.00 4.42 C ATOM 576 O ASP A 36 11.296 -3.631 -1.584 1.00 33.23 O ATOM 577 CB ASP A 36 13.723 -5.249 -2.610 1.00 1.53 C ATOM 578 CG ASP A 36 14.178 -6.203 -3.727 1.00 41.25 C ATOM 579 OD1 ASP A 36 15.170 -6.932 -3.553 1.00 41.53 O ATOM 580 OD2 ASP A 36 13.543 -6.215 -4.796 1.00 15.52 O ATOM 0 H ASP A 36 11.387 -5.556 -3.677 1.00 33.44 H new ATOM 0 HA ASP A 36 12.675 -6.563 -1.217 1.00 72.21 H new ATOM 0 HB2 ASP A 36 13.542 -4.263 -3.039 1.00 1.53 H new ATOM 0 HB3 ASP A 36 14.532 -5.139 -1.888 1.00 1.53 H new ATOM 585 N LYS A 37 12.175 -4.547 0.305 1.00 62.15 N ATOM 586 CA LYS A 37 11.782 -3.428 1.206 1.00 71.04 C ATOM 587 C LYS A 37 12.707 -2.208 1.016 1.00 4.01 C ATOM 588 O LYS A 37 12.308 -1.057 1.261 1.00 63.13 O ATOM 589 CB LYS A 37 11.784 -3.882 2.695 1.00 34.14 C ATOM 590 CG LYS A 37 13.154 -4.297 3.277 1.00 41.23 C ATOM 591 CD LYS A 37 13.076 -4.645 4.781 1.00 3.20 C ATOM 592 CE LYS A 37 14.435 -5.091 5.350 1.00 71.21 C ATOM 593 NZ LYS A 37 14.988 -6.289 4.655 1.00 4.54 N ATOM 0 H LYS A 37 12.662 -5.308 0.779 1.00 62.15 H new ATOM 0 HA LYS A 37 10.768 -3.132 0.938 1.00 71.04 H new ATOM 0 HB2 LYS A 37 11.385 -3.069 3.302 1.00 34.14 H new ATOM 0 HB3 LYS A 37 11.098 -4.723 2.798 1.00 34.14 H new ATOM 0 HG2 LYS A 37 13.533 -5.158 2.727 1.00 41.23 H new ATOM 0 HG3 LYS A 37 13.868 -3.486 3.131 1.00 41.23 H new ATOM 0 HD2 LYS A 37 12.721 -3.776 5.335 1.00 3.20 H new ATOM 0 HD3 LYS A 37 12.344 -5.439 4.930 1.00 3.20 H new ATOM 0 HE2 LYS A 37 15.146 -4.269 5.268 1.00 71.21 H new ATOM 0 HE3 LYS A 37 14.324 -5.311 6.412 1.00 71.21 H new ATOM 0 HZ1 LYS A 37 15.673 -6.765 5.276 1.00 4.54 H new ATOM 0 HZ2 LYS A 37 14.214 -6.945 4.426 1.00 4.54 H new ATOM 0 HZ3 LYS A 37 15.462 -5.993 3.778 1.00 4.54 H new ATOM 607 N GLU A 38 13.935 -2.496 0.558 1.00 43.03 N ATOM 608 CA GLU A 38 14.983 -1.497 0.298 1.00 3.11 C ATOM 609 C GLU A 38 14.576 -0.641 -0.904 1.00 50.04 C ATOM 610 O GLU A 38 14.722 0.592 -0.896 1.00 42.34 O ATOM 611 CB GLU A 38 16.363 -2.185 0.007 1.00 70.31 C ATOM 612 CG GLU A 38 16.900 -3.130 1.118 1.00 45.31 C ATOM 613 CD GLU A 38 16.197 -4.501 1.231 1.00 42.24 C ATOM 614 OE1 GLU A 38 15.609 -4.991 0.244 1.00 14.54 O ATOM 615 OE2 GLU A 38 16.241 -5.102 2.317 1.00 30.34 O ATOM 0 H GLU A 38 14.233 -3.450 0.354 1.00 43.03 H new ATOM 0 HA GLU A 38 15.093 -0.873 1.185 1.00 3.11 H new ATOM 0 HB2 GLU A 38 16.274 -2.756 -0.917 1.00 70.31 H new ATOM 0 HB3 GLU A 38 17.105 -1.406 -0.170 1.00 70.31 H new ATOM 0 HG2 GLU A 38 17.962 -3.301 0.942 1.00 45.31 H new ATOM 0 HG3 GLU A 38 16.814 -2.619 2.077 1.00 45.31 H new ATOM 622 N LYS A 39 14.029 -1.339 -1.916 1.00 12.43 N ATOM 623 CA LYS A 39 13.614 -0.746 -3.185 1.00 22.43 C ATOM 624 C LYS A 39 12.461 0.256 -2.972 1.00 31.42 C ATOM 625 O LYS A 39 12.441 1.318 -3.589 1.00 0.30 O ATOM 626 CB LYS A 39 13.176 -1.854 -4.183 1.00 73.34 C ATOM 627 CG LYS A 39 13.165 -1.405 -5.662 1.00 74.54 C ATOM 628 CD LYS A 39 14.593 -1.266 -6.239 1.00 2.03 C ATOM 629 CE LYS A 39 14.614 -0.552 -7.599 1.00 61.13 C ATOM 630 NZ LYS A 39 14.234 0.882 -7.466 1.00 12.51 N ATOM 0 H LYS A 39 13.864 -2.344 -1.867 1.00 12.43 H new ATOM 0 HA LYS A 39 14.466 -0.209 -3.602 1.00 22.43 H new ATOM 0 HB2 LYS A 39 13.846 -2.707 -4.079 1.00 73.34 H new ATOM 0 HB3 LYS A 39 12.178 -2.198 -3.912 1.00 73.34 H new ATOM 0 HG2 LYS A 39 12.604 -2.127 -6.255 1.00 74.54 H new ATOM 0 HG3 LYS A 39 12.646 -0.450 -5.747 1.00 74.54 H new ATOM 0 HD2 LYS A 39 15.214 -0.714 -5.533 1.00 2.03 H new ATOM 0 HD3 LYS A 39 15.036 -2.256 -6.346 1.00 2.03 H new ATOM 0 HE2 LYS A 39 15.610 -0.627 -8.036 1.00 61.13 H new ATOM 0 HE3 LYS A 39 13.927 -1.050 -8.284 1.00 61.13 H new ATOM 0 HZ1 LYS A 39 14.420 1.375 -8.363 1.00 12.51 H new ATOM 0 HZ2 LYS A 39 13.223 0.953 -7.235 1.00 12.51 H new ATOM 0 HZ3 LYS A 39 14.794 1.321 -6.707 1.00 12.51 H new ATOM 644 N VAL A 40 11.528 -0.105 -2.060 1.00 60.45 N ATOM 645 CA VAL A 40 10.340 0.709 -1.742 1.00 54.53 C ATOM 646 C VAL A 40 10.734 2.118 -1.267 1.00 43.34 C ATOM 647 O VAL A 40 10.131 3.099 -1.678 1.00 1.03 O ATOM 648 CB VAL A 40 9.451 0.042 -0.626 1.00 64.54 C ATOM 649 CG1 VAL A 40 8.175 0.869 -0.369 1.00 61.24 C ATOM 650 CG2 VAL A 40 9.093 -1.418 -0.967 1.00 41.02 C ATOM 0 H VAL A 40 11.582 -0.972 -1.525 1.00 60.45 H new ATOM 0 HA VAL A 40 9.767 0.778 -2.666 1.00 54.53 H new ATOM 0 HB VAL A 40 10.044 0.027 0.288 1.00 64.54 H new ATOM 0 HG11 VAL A 40 7.579 0.387 0.406 1.00 61.24 H new ATOM 0 HG12 VAL A 40 8.451 1.872 -0.043 1.00 61.24 H new ATOM 0 HG13 VAL A 40 7.592 0.934 -1.288 1.00 61.24 H new ATOM 0 HG21 VAL A 40 8.479 -1.838 -0.170 1.00 41.02 H new ATOM 0 HG22 VAL A 40 8.539 -1.447 -1.905 1.00 41.02 H new ATOM 0 HG23 VAL A 40 10.007 -2.003 -1.067 1.00 41.02 H new ATOM 660 N LYS A 41 11.768 2.185 -0.412 1.00 2.05 N ATOM 661 CA LYS A 41 12.238 3.450 0.199 1.00 22.15 C ATOM 662 C LYS A 41 12.816 4.412 -0.846 1.00 11.25 C ATOM 663 O LYS A 41 12.691 5.640 -0.713 1.00 71.33 O ATOM 664 CB LYS A 41 13.284 3.148 1.287 1.00 41.12 C ATOM 665 CG LYS A 41 12.733 2.286 2.437 1.00 34.01 C ATOM 666 CD LYS A 41 13.818 1.934 3.467 1.00 64.34 C ATOM 667 CE LYS A 41 13.274 1.109 4.634 1.00 40.53 C ATOM 668 NZ LYS A 41 14.364 0.695 5.554 1.00 24.45 N ATOM 0 H LYS A 41 12.304 1.367 -0.122 1.00 2.05 H new ATOM 0 HA LYS A 41 11.377 3.943 0.650 1.00 22.15 H new ATOM 0 HB2 LYS A 41 14.133 2.637 0.833 1.00 41.12 H new ATOM 0 HB3 LYS A 41 13.658 4.088 1.693 1.00 41.12 H new ATOM 0 HG2 LYS A 41 11.922 2.820 2.933 1.00 34.01 H new ATOM 0 HG3 LYS A 41 12.309 1.368 2.030 1.00 34.01 H new ATOM 0 HD2 LYS A 41 14.615 1.378 2.974 1.00 64.34 H new ATOM 0 HD3 LYS A 41 14.261 2.853 3.851 1.00 64.34 H new ATOM 0 HE2 LYS A 41 12.534 1.693 5.182 1.00 40.53 H new ATOM 0 HE3 LYS A 41 12.763 0.226 4.251 1.00 40.53 H new ATOM 0 HZ1 LYS A 41 13.968 0.123 6.327 1.00 24.45 H new ATOM 0 HZ2 LYS A 41 15.065 0.132 5.031 1.00 24.45 H new ATOM 0 HZ3 LYS A 41 14.824 1.540 5.950 1.00 24.45 H new ATOM 682 N GLU A 42 13.446 3.826 -1.883 1.00 44.23 N ATOM 683 CA GLU A 42 13.907 4.563 -3.072 1.00 40.34 C ATOM 684 C GLU A 42 12.701 5.209 -3.769 1.00 34.13 C ATOM 685 O GLU A 42 12.698 6.406 -4.047 1.00 44.22 O ATOM 686 CB GLU A 42 14.636 3.602 -4.050 1.00 41.34 C ATOM 687 CG GLU A 42 15.845 2.855 -3.447 1.00 53.24 C ATOM 688 CD GLU A 42 16.392 1.744 -4.363 1.00 31.23 C ATOM 689 OE1 GLU A 42 16.781 0.667 -3.857 1.00 75.22 O ATOM 690 OE2 GLU A 42 16.407 1.932 -5.602 1.00 50.20 O ATOM 0 H GLU A 42 13.649 2.827 -1.918 1.00 44.23 H new ATOM 0 HA GLU A 42 14.607 5.340 -2.764 1.00 40.34 H new ATOM 0 HB2 GLU A 42 13.919 2.867 -4.416 1.00 41.34 H new ATOM 0 HB3 GLU A 42 14.975 4.174 -4.914 1.00 41.34 H new ATOM 0 HG2 GLU A 42 16.640 3.571 -3.241 1.00 53.24 H new ATOM 0 HG3 GLU A 42 15.554 2.418 -2.492 1.00 53.24 H new ATOM 697 N GLU A 43 11.655 4.389 -3.976 1.00 24.21 N ATOM 698 CA GLU A 43 10.426 4.795 -4.682 1.00 70.01 C ATOM 699 C GLU A 43 9.618 5.844 -3.888 1.00 21.35 C ATOM 700 O GLU A 43 8.988 6.727 -4.491 1.00 73.40 O ATOM 701 CB GLU A 43 9.553 3.551 -4.983 1.00 34.12 C ATOM 702 CG GLU A 43 10.298 2.379 -5.653 1.00 70.54 C ATOM 703 CD GLU A 43 11.175 2.802 -6.847 1.00 72.35 C ATOM 704 OE1 GLU A 43 10.631 3.020 -7.953 1.00 62.24 O ATOM 705 OE2 GLU A 43 12.414 2.890 -6.689 1.00 52.21 O ATOM 0 H GLU A 43 11.638 3.421 -3.656 1.00 24.21 H new ATOM 0 HA GLU A 43 10.723 5.263 -5.620 1.00 70.01 H new ATOM 0 HB2 GLU A 43 9.116 3.198 -4.049 1.00 34.12 H new ATOM 0 HB3 GLU A 43 8.727 3.853 -5.627 1.00 34.12 H new ATOM 0 HG2 GLU A 43 10.925 1.887 -4.910 1.00 70.54 H new ATOM 0 HG3 GLU A 43 9.569 1.643 -5.992 1.00 70.54 H new ATOM 712 N ILE A 44 9.651 5.743 -2.538 1.00 32.33 N ATOM 713 CA ILE A 44 9.000 6.712 -1.637 1.00 51.32 C ATOM 714 C ILE A 44 9.646 8.093 -1.839 1.00 0.30 C ATOM 715 O ILE A 44 8.948 9.090 -1.960 1.00 40.34 O ATOM 716 CB ILE A 44 9.080 6.259 -0.117 1.00 24.00 C ATOM 717 CG1 ILE A 44 8.225 4.966 0.127 1.00 72.52 C ATOM 718 CG2 ILE A 44 8.654 7.398 0.851 1.00 13.14 C ATOM 719 CD1 ILE A 44 8.295 4.410 1.542 1.00 52.41 C ATOM 0 H ILE A 44 10.130 4.987 -2.048 1.00 32.33 H new ATOM 0 HA ILE A 44 7.940 6.764 -1.887 1.00 51.32 H new ATOM 0 HB ILE A 44 10.123 6.026 0.098 1.00 24.00 H new ATOM 0 HG12 ILE A 44 7.184 5.186 -0.110 1.00 72.52 H new ATOM 0 HG13 ILE A 44 8.554 4.194 -0.568 1.00 72.52 H new ATOM 0 HG21 ILE A 44 8.723 7.046 1.880 1.00 13.14 H new ATOM 0 HG22 ILE A 44 9.313 8.256 0.716 1.00 13.14 H new ATOM 0 HG23 ILE A 44 7.627 7.692 0.637 1.00 13.14 H new ATOM 0 HD11 ILE A 44 7.673 3.518 1.614 1.00 52.41 H new ATOM 0 HD12 ILE A 44 9.327 4.153 1.781 1.00 52.41 H new ATOM 0 HD13 ILE A 44 7.936 5.161 2.246 1.00 52.41 H new ATOM 731 N GLU A 45 10.989 8.102 -1.946 1.00 71.43 N ATOM 732 CA GLU A 45 11.776 9.320 -2.231 1.00 74.21 C ATOM 733 C GLU A 45 11.471 9.901 -3.626 1.00 0.14 C ATOM 734 O GLU A 45 11.412 11.121 -3.774 1.00 12.44 O ATOM 735 CB GLU A 45 13.298 9.028 -2.088 1.00 53.41 C ATOM 736 CG GLU A 45 13.809 9.033 -0.637 1.00 32.14 C ATOM 737 CD GLU A 45 13.758 10.441 -0.022 1.00 63.32 C ATOM 738 OE1 GLU A 45 14.695 11.238 -0.256 1.00 4.33 O ATOM 739 OE2 GLU A 45 12.775 10.769 0.666 1.00 1.43 O ATOM 0 H GLU A 45 11.560 7.264 -1.837 1.00 71.43 H new ATOM 0 HA GLU A 45 11.483 10.071 -1.497 1.00 74.21 H new ATOM 0 HB2 GLU A 45 13.513 8.057 -2.534 1.00 53.41 H new ATOM 0 HB3 GLU A 45 13.854 9.771 -2.659 1.00 53.41 H new ATOM 0 HG2 GLU A 45 13.207 8.351 -0.037 1.00 32.14 H new ATOM 0 HG3 GLU A 45 14.833 8.661 -0.610 1.00 32.14 H new ATOM 746 N LYS A 46 11.276 9.019 -4.627 1.00 41.25 N ATOM 747 CA LYS A 46 10.999 9.425 -6.024 1.00 42.23 C ATOM 748 C LYS A 46 9.630 10.124 -6.135 1.00 71.04 C ATOM 749 O LYS A 46 9.506 11.167 -6.783 1.00 13.44 O ATOM 750 CB LYS A 46 11.054 8.202 -6.977 1.00 43.11 C ATOM 751 CG LYS A 46 12.433 7.502 -7.038 1.00 34.33 C ATOM 752 CD LYS A 46 12.445 6.268 -7.969 1.00 34.12 C ATOM 753 CE LYS A 46 12.204 6.629 -9.439 1.00 24.01 C ATOM 754 NZ LYS A 46 13.272 7.509 -9.981 1.00 33.32 N ATOM 0 H LYS A 46 11.305 8.008 -4.493 1.00 41.25 H new ATOM 0 HA LYS A 46 11.773 10.132 -6.323 1.00 42.23 H new ATOM 0 HB2 LYS A 46 10.305 7.476 -6.661 1.00 43.11 H new ATOM 0 HB3 LYS A 46 10.780 8.526 -7.981 1.00 43.11 H new ATOM 0 HG2 LYS A 46 13.182 8.216 -7.381 1.00 34.33 H new ATOM 0 HG3 LYS A 46 12.723 7.195 -6.033 1.00 34.33 H new ATOM 0 HD2 LYS A 46 13.405 5.759 -7.877 1.00 34.12 H new ATOM 0 HD3 LYS A 46 11.679 5.565 -7.642 1.00 34.12 H new ATOM 0 HE2 LYS A 46 12.151 5.716 -10.032 1.00 24.01 H new ATOM 0 HE3 LYS A 46 11.240 7.128 -9.536 1.00 24.01 H new ATOM 0 HZ1 LYS A 46 13.154 7.604 -11.010 1.00 33.32 H new ATOM 0 HZ2 LYS A 46 13.208 8.447 -9.537 1.00 33.32 H new ATOM 0 HZ3 LYS A 46 14.203 7.092 -9.776 1.00 33.32 H new ATOM 768 N ALA A 47 8.614 9.547 -5.477 1.00 72.30 N ATOM 769 CA ALA A 47 7.252 10.103 -5.471 1.00 45.43 C ATOM 770 C ALA A 47 7.188 11.379 -4.612 1.00 4.12 C ATOM 771 O ALA A 47 6.560 12.363 -5.002 1.00 40.22 O ATOM 772 CB ALA A 47 6.252 9.051 -4.978 1.00 64.23 C ATOM 0 H ALA A 47 8.711 8.687 -4.937 1.00 72.30 H new ATOM 0 HA ALA A 47 6.982 10.377 -6.491 1.00 45.43 H new ATOM 0 HB1 ALA A 47 5.248 9.475 -4.978 1.00 64.23 H new ATOM 0 HB2 ALA A 47 6.280 8.185 -5.639 1.00 64.23 H new ATOM 0 HB3 ALA A 47 6.516 8.744 -3.966 1.00 64.23 H new ATOM 778 N ARG A 48 7.899 11.353 -3.469 1.00 30.41 N ATOM 779 CA ARG A 48 7.941 12.473 -2.499 1.00 33.43 C ATOM 780 C ARG A 48 8.572 13.732 -3.123 1.00 55.52 C ATOM 781 O ARG A 48 8.029 14.833 -2.995 1.00 34.33 O ATOM 782 CB ARG A 48 8.738 12.046 -1.229 1.00 45.43 C ATOM 783 CG ARG A 48 8.936 13.153 -0.168 1.00 51.14 C ATOM 784 CD ARG A 48 9.899 12.748 0.973 1.00 22.03 C ATOM 785 NE ARG A 48 10.331 13.928 1.741 1.00 73.11 N ATOM 786 CZ ARG A 48 11.584 14.187 2.156 1.00 71.33 C ATOM 787 NH1 ARG A 48 12.587 13.347 1.900 1.00 50.53 N ATOM 788 NH2 ARG A 48 11.828 15.310 2.818 1.00 12.13 N ATOM 0 H ARG A 48 8.465 10.552 -3.188 1.00 30.41 H new ATOM 0 HA ARG A 48 6.916 12.717 -2.218 1.00 33.43 H new ATOM 0 HB2 ARG A 48 8.222 11.207 -0.762 1.00 45.43 H new ATOM 0 HB3 ARG A 48 9.718 11.685 -1.540 1.00 45.43 H new ATOM 0 HG2 ARG A 48 9.320 14.049 -0.656 1.00 51.14 H new ATOM 0 HG3 ARG A 48 7.968 13.413 0.259 1.00 51.14 H new ATOM 0 HD2 ARG A 48 9.405 12.038 1.637 1.00 22.03 H new ATOM 0 HD3 ARG A 48 10.770 12.242 0.557 1.00 22.03 H new ATOM 0 HE ARG A 48 9.614 14.612 1.980 1.00 73.11 H new ATOM 0 HH11 ARG A 48 12.412 12.487 1.380 1.00 50.53 H new ATOM 0 HH12 ARG A 48 13.529 13.564 2.225 1.00 50.53 H new ATOM 0 HH21 ARG A 48 11.070 15.966 3.007 1.00 12.13 H new ATOM 0 HH22 ARG A 48 12.774 15.518 3.138 1.00 12.13 H new ATOM 802 N LYS A 49 9.704 13.541 -3.830 1.00 23.12 N ATOM 803 CA LYS A 49 10.487 14.661 -4.407 1.00 73.21 C ATOM 804 C LYS A 49 9.732 15.351 -5.558 1.00 64.53 C ATOM 805 O LYS A 49 9.992 16.518 -5.863 1.00 40.12 O ATOM 806 CB LYS A 49 11.890 14.179 -4.878 1.00 33.01 C ATOM 807 CG LYS A 49 11.929 13.317 -6.161 1.00 43.32 C ATOM 808 CD LYS A 49 13.330 12.731 -6.493 1.00 5.31 C ATOM 809 CE LYS A 49 14.428 13.784 -6.783 1.00 2.34 C ATOM 810 NZ LYS A 49 14.915 14.502 -5.564 1.00 61.22 N ATOM 0 H LYS A 49 10.100 12.620 -4.017 1.00 23.12 H new ATOM 0 HA LYS A 49 10.627 15.398 -3.616 1.00 73.21 H new ATOM 0 HB2 LYS A 49 12.516 15.057 -5.038 1.00 33.01 H new ATOM 0 HB3 LYS A 49 12.343 13.607 -4.069 1.00 33.01 H new ATOM 0 HG2 LYS A 49 11.220 12.496 -6.055 1.00 43.32 H new ATOM 0 HG3 LYS A 49 11.592 13.923 -7.002 1.00 43.32 H new ATOM 0 HD2 LYS A 49 13.655 12.110 -5.658 1.00 5.31 H new ATOM 0 HD3 LYS A 49 13.237 12.077 -7.360 1.00 5.31 H new ATOM 0 HE2 LYS A 49 15.273 13.291 -7.264 1.00 2.34 H new ATOM 0 HE3 LYS A 49 14.039 14.515 -7.492 1.00 2.34 H new ATOM 0 HZ1 LYS A 49 14.549 15.475 -5.565 1.00 61.22 H new ATOM 0 HZ2 LYS A 49 14.580 14.007 -4.713 1.00 61.22 H new ATOM 0 HZ3 LYS A 49 15.955 14.523 -5.566 1.00 61.22 H new ATOM 824 N GLN A 50 8.802 14.610 -6.181 1.00 75.43 N ATOM 825 CA GLN A 50 7.923 15.116 -7.258 1.00 2.22 C ATOM 826 C GLN A 50 6.554 15.555 -6.694 1.00 51.35 C ATOM 827 O GLN A 50 5.767 16.194 -7.402 1.00 5.23 O ATOM 828 CB GLN A 50 7.766 14.021 -8.345 1.00 32.45 C ATOM 829 CG GLN A 50 9.109 13.604 -8.979 1.00 41.23 C ATOM 830 CD GLN A 50 8.986 12.456 -9.978 1.00 40.23 C ATOM 831 OE1 GLN A 50 9.098 11.283 -9.613 1.00 32.04 O ATOM 832 NE2 GLN A 50 8.744 12.781 -11.239 1.00 75.43 N ATOM 0 H GLN A 50 8.634 13.630 -5.951 1.00 75.43 H new ATOM 0 HA GLN A 50 8.377 15.997 -7.711 1.00 2.22 H new ATOM 0 HB2 GLN A 50 7.291 13.145 -7.904 1.00 32.45 H new ATOM 0 HB3 GLN A 50 7.099 14.386 -9.126 1.00 32.45 H new ATOM 0 HG2 GLN A 50 9.546 14.466 -9.482 1.00 41.23 H new ATOM 0 HG3 GLN A 50 9.799 13.313 -8.187 1.00 41.23 H new ATOM 0 HE21 GLN A 50 8.657 13.762 -11.505 1.00 75.43 H new ATOM 0 HE22 GLN A 50 8.644 12.050 -11.944 1.00 75.43 H new ATOM 841 N GLY A 51 6.286 15.198 -5.420 1.00 14.00 N ATOM 842 CA GLY A 51 5.074 15.610 -4.708 1.00 43.51 C ATOM 843 C GLY A 51 3.818 14.896 -5.182 1.00 25.03 C ATOM 844 O GLY A 51 2.730 15.474 -5.179 1.00 43.01 O ATOM 0 H GLY A 51 6.910 14.615 -4.862 1.00 14.00 H new ATOM 0 HA2 GLY A 51 5.208 15.424 -3.642 1.00 43.51 H new ATOM 0 HA3 GLY A 51 4.939 16.685 -4.829 1.00 43.51 H new ATOM 848 N ARG A 52 3.975 13.634 -5.603 1.00 54.35 N ATOM 849 CA ARG A 52 2.874 12.791 -6.110 1.00 23.13 C ATOM 850 C ARG A 52 2.664 11.556 -5.188 1.00 64.21 C ATOM 851 O ARG A 52 3.599 11.132 -4.490 1.00 72.40 O ATOM 852 CB ARG A 52 3.161 12.352 -7.581 1.00 31.25 C ATOM 853 CG ARG A 52 4.494 11.599 -7.787 1.00 71.24 C ATOM 854 CD ARG A 52 4.723 11.170 -9.252 1.00 24.20 C ATOM 855 NE ARG A 52 6.044 10.533 -9.445 1.00 22.22 N ATOM 856 CZ ARG A 52 6.351 9.651 -10.418 1.00 33.15 C ATOM 857 NH1 ARG A 52 5.441 9.266 -11.317 1.00 52.13 N ATOM 858 NH2 ARG A 52 7.577 9.151 -10.485 1.00 32.43 N ATOM 0 H ARG A 52 4.878 13.161 -5.603 1.00 54.35 H new ATOM 0 HA ARG A 52 1.954 13.375 -6.103 1.00 23.13 H new ATOM 0 HB2 ARG A 52 2.344 11.715 -7.920 1.00 31.25 H new ATOM 0 HB3 ARG A 52 3.159 13.238 -8.216 1.00 31.25 H new ATOM 0 HG2 ARG A 52 5.318 12.237 -7.468 1.00 71.24 H new ATOM 0 HG3 ARG A 52 4.508 10.716 -7.149 1.00 71.24 H new ATOM 0 HD2 ARG A 52 3.939 10.475 -9.553 1.00 24.20 H new ATOM 0 HD3 ARG A 52 4.643 12.042 -9.901 1.00 24.20 H new ATOM 0 HE ARG A 52 6.784 10.781 -8.788 1.00 22.22 H new ATOM 0 HH11 ARG A 52 4.493 9.640 -11.276 1.00 52.13 H new ATOM 0 HH12 ARG A 52 5.694 8.598 -12.045 1.00 52.13 H new ATOM 0 HH21 ARG A 52 8.281 9.434 -9.803 1.00 32.43 H new ATOM 0 HH22 ARG A 52 7.816 8.483 -11.218 1.00 32.43 H new ATOM 872 N PRO A 53 1.413 10.991 -5.133 1.00 41.02 N ATOM 873 CA PRO A 53 1.135 9.715 -4.426 1.00 40.41 C ATOM 874 C PRO A 53 1.845 8.512 -5.077 1.00 60.43 C ATOM 875 O PRO A 53 2.338 8.596 -6.217 1.00 50.12 O ATOM 876 CB PRO A 53 -0.412 9.568 -4.522 1.00 2.24 C ATOM 877 CG PRO A 53 -0.914 10.940 -4.870 1.00 3.04 C ATOM 878 CD PRO A 53 0.170 11.564 -5.710 1.00 32.13 C ATOM 0 HA PRO A 53 1.504 9.732 -3.401 1.00 40.41 H new ATOM 0 HB2 PRO A 53 -0.692 8.841 -5.284 1.00 2.24 H new ATOM 0 HB3 PRO A 53 -0.834 9.221 -3.579 1.00 2.24 H new ATOM 0 HG2 PRO A 53 -1.854 10.886 -5.419 1.00 3.04 H new ATOM 0 HG3 PRO A 53 -1.102 11.528 -3.972 1.00 3.04 H new ATOM 0 HD2 PRO A 53 0.060 11.310 -6.764 1.00 32.13 H new ATOM 0 HD3 PRO A 53 0.158 12.652 -5.642 1.00 32.13 H new ATOM 886 N ILE A 54 1.852 7.384 -4.355 1.00 73.12 N ATOM 887 CA ILE A 54 2.477 6.150 -4.818 1.00 1.01 C ATOM 888 C ILE A 54 1.793 4.928 -4.182 1.00 0.33 C ATOM 889 O ILE A 54 1.454 4.937 -2.999 1.00 64.32 O ATOM 890 CB ILE A 54 4.028 6.158 -4.540 1.00 32.35 C ATOM 891 CG1 ILE A 54 4.726 4.938 -5.212 1.00 63.12 C ATOM 892 CG2 ILE A 54 4.352 6.238 -3.025 1.00 5.43 C ATOM 893 CD1 ILE A 54 6.238 5.040 -5.276 1.00 34.25 C ATOM 0 H ILE A 54 1.422 7.307 -3.433 1.00 73.12 H new ATOM 0 HA ILE A 54 2.345 6.083 -5.898 1.00 1.01 H new ATOM 0 HB ILE A 54 4.431 7.064 -4.994 1.00 32.35 H new ATOM 0 HG12 ILE A 54 4.458 4.034 -4.665 1.00 63.12 H new ATOM 0 HG13 ILE A 54 4.338 4.825 -6.224 1.00 63.12 H new ATOM 0 HG21 ILE A 54 5.433 6.241 -2.884 1.00 5.43 H new ATOM 0 HG22 ILE A 54 3.930 7.153 -2.610 1.00 5.43 H new ATOM 0 HG23 ILE A 54 3.922 5.376 -2.515 1.00 5.43 H new ATOM 0 HD11 ILE A 54 6.643 4.150 -5.758 1.00 34.25 H new ATOM 0 HD12 ILE A 54 6.519 5.923 -5.850 1.00 34.25 H new ATOM 0 HD13 ILE A 54 6.640 5.120 -4.266 1.00 34.25 H new ATOM 905 N VAL A 55 1.540 3.899 -5.007 1.00 52.24 N ATOM 906 CA VAL A 55 1.009 2.611 -4.561 1.00 3.15 C ATOM 907 C VAL A 55 2.079 1.545 -4.819 1.00 50.14 C ATOM 908 O VAL A 55 2.436 1.273 -5.976 1.00 24.04 O ATOM 909 CB VAL A 55 -0.337 2.226 -5.292 1.00 12.42 C ATOM 910 CG1 VAL A 55 -0.893 0.884 -4.763 1.00 44.32 C ATOM 911 CG2 VAL A 55 -1.387 3.349 -5.148 1.00 30.14 C ATOM 0 H VAL A 55 1.702 3.944 -6.013 1.00 52.24 H new ATOM 0 HA VAL A 55 0.772 2.678 -3.499 1.00 3.15 H new ATOM 0 HB VAL A 55 -0.116 2.104 -6.352 1.00 12.42 H new ATOM 0 HG11 VAL A 55 -1.820 0.644 -5.284 1.00 44.32 H new ATOM 0 HG12 VAL A 55 -0.163 0.094 -4.938 1.00 44.32 H new ATOM 0 HG13 VAL A 55 -1.089 0.967 -3.694 1.00 44.32 H new ATOM 0 HG21 VAL A 55 -2.304 3.058 -5.661 1.00 30.14 H new ATOM 0 HG22 VAL A 55 -1.599 3.516 -4.092 1.00 30.14 H new ATOM 0 HG23 VAL A 55 -1.000 4.267 -5.590 1.00 30.14 H new ATOM 921 N ILE A 56 2.607 0.985 -3.733 1.00 30.42 N ATOM 922 CA ILE A 56 3.628 -0.053 -3.759 1.00 4.24 C ATOM 923 C ILE A 56 2.951 -1.421 -3.596 1.00 54.13 C ATOM 924 O ILE A 56 2.134 -1.608 -2.698 1.00 2.21 O ATOM 925 CB ILE A 56 4.675 0.155 -2.602 1.00 61.31 C ATOM 926 CG1 ILE A 56 5.349 1.563 -2.685 1.00 1.10 C ATOM 927 CG2 ILE A 56 5.745 -0.963 -2.610 1.00 45.52 C ATOM 928 CD1 ILE A 56 6.315 1.741 -3.843 1.00 4.13 C ATOM 0 H ILE A 56 2.328 1.249 -2.788 1.00 30.42 H new ATOM 0 HA ILE A 56 4.157 -0.002 -4.711 1.00 4.24 H new ATOM 0 HB ILE A 56 4.131 0.100 -1.659 1.00 61.31 H new ATOM 0 HG12 ILE A 56 4.568 2.320 -2.762 1.00 1.10 H new ATOM 0 HG13 ILE A 56 5.883 1.750 -1.753 1.00 1.10 H new ATOM 0 HG21 ILE A 56 6.455 -0.793 -1.800 1.00 45.52 H new ATOM 0 HG22 ILE A 56 5.262 -1.930 -2.472 1.00 45.52 H new ATOM 0 HG23 ILE A 56 6.273 -0.954 -3.563 1.00 45.52 H new ATOM 0 HD11 ILE A 56 6.732 2.748 -3.818 1.00 4.13 H new ATOM 0 HD12 ILE A 56 7.121 1.012 -3.760 1.00 4.13 H new ATOM 0 HD13 ILE A 56 5.786 1.591 -4.784 1.00 4.13 H new ATOM 940 N PHE A 57 3.299 -2.359 -4.471 1.00 21.01 N ATOM 941 CA PHE A 57 2.835 -3.738 -4.429 1.00 13.33 C ATOM 942 C PHE A 57 4.014 -4.613 -4.001 1.00 22.52 C ATOM 943 O PHE A 57 4.927 -4.862 -4.797 1.00 11.45 O ATOM 944 CB PHE A 57 2.306 -4.150 -5.828 1.00 32.54 C ATOM 945 CG PHE A 57 1.159 -3.278 -6.337 1.00 44.13 C ATOM 946 CD1 PHE A 57 -0.133 -3.450 -5.840 1.00 51.20 C ATOM 947 CD2 PHE A 57 1.368 -2.281 -7.298 1.00 25.31 C ATOM 948 CE1 PHE A 57 -1.171 -2.660 -6.286 1.00 2.44 C ATOM 949 CE2 PHE A 57 0.323 -1.493 -7.742 1.00 71.44 C ATOM 950 CZ PHE A 57 -0.946 -1.684 -7.234 1.00 72.33 C ATOM 0 H PHE A 57 3.930 -2.174 -5.251 1.00 21.01 H new ATOM 0 HA PHE A 57 2.017 -3.858 -3.718 1.00 13.33 H new ATOM 0 HB2 PHE A 57 3.127 -4.107 -6.543 1.00 32.54 H new ATOM 0 HB3 PHE A 57 1.972 -5.187 -5.788 1.00 32.54 H new ATOM 0 HD1 PHE A 57 -0.322 -4.211 -5.097 1.00 51.20 H new ATOM 0 HD2 PHE A 57 2.359 -2.126 -7.698 1.00 25.31 H new ATOM 0 HE1 PHE A 57 -2.165 -2.806 -5.891 1.00 2.44 H new ATOM 0 HE2 PHE A 57 0.499 -0.729 -8.485 1.00 71.44 H new ATOM 0 HZ PHE A 57 -1.764 -1.069 -7.579 1.00 72.33 H new ATOM 960 N ILE A 58 4.016 -5.028 -2.730 1.00 54.14 N ATOM 961 CA ILE A 58 5.050 -5.901 -2.160 1.00 14.24 C ATOM 962 C ILE A 58 4.515 -7.335 -2.138 1.00 64.01 C ATOM 963 O ILE A 58 3.456 -7.601 -1.548 1.00 12.34 O ATOM 964 CB ILE A 58 5.463 -5.489 -0.695 1.00 21.35 C ATOM 965 CG1 ILE A 58 5.727 -3.958 -0.599 1.00 13.22 C ATOM 966 CG2 ILE A 58 6.712 -6.295 -0.232 1.00 72.30 C ATOM 967 CD1 ILE A 58 5.946 -3.438 0.810 1.00 14.43 C ATOM 0 H ILE A 58 3.293 -4.765 -2.060 1.00 54.14 H new ATOM 0 HA ILE A 58 5.939 -5.810 -2.784 1.00 14.24 H new ATOM 0 HB ILE A 58 4.634 -5.728 -0.029 1.00 21.35 H new ATOM 0 HG12 ILE A 58 6.603 -3.716 -1.201 1.00 13.22 H new ATOM 0 HG13 ILE A 58 4.882 -3.429 -1.039 1.00 13.22 H new ATOM 0 HG21 ILE A 58 6.982 -5.997 0.781 1.00 72.30 H new ATOM 0 HG22 ILE A 58 6.484 -7.361 -0.248 1.00 72.30 H new ATOM 0 HG23 ILE A 58 7.546 -6.092 -0.904 1.00 72.30 H new ATOM 0 HD11 ILE A 58 6.122 -2.363 0.778 1.00 14.43 H new ATOM 0 HD12 ILE A 58 5.063 -3.643 1.415 1.00 14.43 H new ATOM 0 HD13 ILE A 58 6.811 -3.934 1.251 1.00 14.43 H new ATOM 979 N ARG A 59 5.242 -8.247 -2.785 1.00 41.52 N ATOM 980 CA ARG A 59 4.898 -9.665 -2.801 1.00 30.43 C ATOM 981 C ARG A 59 5.340 -10.333 -1.489 1.00 34.14 C ATOM 982 O ARG A 59 6.539 -10.396 -1.206 1.00 55.33 O ATOM 983 CB ARG A 59 5.546 -10.358 -4.020 1.00 14.42 C ATOM 984 CG ARG A 59 5.307 -11.878 -4.066 1.00 34.45 C ATOM 985 CD ARG A 59 5.897 -12.531 -5.309 1.00 41.04 C ATOM 986 NE ARG A 59 7.334 -12.303 -5.443 1.00 5.31 N ATOM 987 CZ ARG A 59 8.063 -12.629 -6.519 1.00 42.53 C ATOM 988 NH1 ARG A 59 7.490 -13.213 -7.583 1.00 64.11 N ATOM 989 NH2 ARG A 59 9.360 -12.355 -6.525 1.00 41.44 N ATOM 0 H ARG A 59 6.086 -8.021 -3.312 1.00 41.52 H new ATOM 0 HA ARG A 59 3.816 -9.767 -2.887 1.00 30.43 H new ATOM 0 HB2 ARG A 59 5.154 -9.910 -4.933 1.00 14.42 H new ATOM 0 HB3 ARG A 59 6.619 -10.168 -4.007 1.00 14.42 H new ATOM 0 HG2 ARG A 59 5.743 -12.337 -3.179 1.00 34.45 H new ATOM 0 HG3 ARG A 59 4.235 -12.074 -4.032 1.00 34.45 H new ATOM 0 HD2 ARG A 59 5.706 -13.604 -5.275 1.00 41.04 H new ATOM 0 HD3 ARG A 59 5.389 -12.144 -6.192 1.00 41.04 H new ATOM 0 HE ARG A 59 7.818 -11.863 -4.660 1.00 5.31 H new ATOM 0 HH11 ARG A 59 6.490 -13.413 -7.578 1.00 64.11 H new ATOM 0 HH12 ARG A 59 8.055 -13.457 -8.397 1.00 64.11 H new ATOM 0 HH21 ARG A 59 9.789 -11.902 -5.718 1.00 41.44 H new ATOM 0 HH22 ARG A 59 9.929 -12.597 -7.337 1.00 41.44 H new ATOM 1003 N GLY A 60 4.346 -10.784 -0.689 1.00 75.12 N ATOM 1004 CA GLY A 60 4.584 -11.571 0.527 1.00 45.42 C ATOM 1005 C GLY A 60 5.531 -10.902 1.523 1.00 62.12 C ATOM 1006 O GLY A 60 6.646 -11.384 1.758 1.00 64.43 O ATOM 0 H GLY A 60 3.359 -10.608 -0.875 1.00 75.12 H new ATOM 0 HA2 GLY A 60 3.630 -11.759 1.019 1.00 45.42 H new ATOM 0 HA3 GLY A 60 4.994 -12.541 0.246 1.00 45.42 H new ATOM 1010 N ALA A 61 5.096 -9.764 2.065 1.00 52.44 N ATOM 1011 CA ALA A 61 5.865 -8.996 3.050 1.00 52.41 C ATOM 1012 C ALA A 61 5.662 -9.565 4.458 1.00 4.20 C ATOM 1013 O ALA A 61 4.518 -9.756 4.895 1.00 54.03 O ATOM 1014 CB ALA A 61 5.463 -7.519 3.008 1.00 44.04 C ATOM 0 H ALA A 61 4.195 -9.345 1.833 1.00 52.44 H new ATOM 0 HA ALA A 61 6.922 -9.076 2.797 1.00 52.41 H new ATOM 0 HB1 ALA A 61 6.043 -6.963 3.745 1.00 44.04 H new ATOM 0 HB2 ALA A 61 5.658 -7.117 2.014 1.00 44.04 H new ATOM 0 HB3 ALA A 61 4.401 -7.424 3.235 1.00 44.04 H new ATOM 1020 N THR A 62 6.781 -9.851 5.145 1.00 12.12 N ATOM 1021 CA THR A 62 6.775 -10.223 6.567 1.00 10.34 C ATOM 1022 C THR A 62 6.611 -8.954 7.432 1.00 40.43 C ATOM 1023 O THR A 62 6.710 -7.830 6.904 1.00 33.42 O ATOM 1024 CB THR A 62 8.068 -11.031 6.956 1.00 52.12 C ATOM 1025 OG1 THR A 62 8.014 -11.452 8.335 1.00 34.15 O ATOM 1026 CG2 THR A 62 9.362 -10.235 6.707 1.00 34.20 C ATOM 0 H THR A 62 7.712 -9.830 4.730 1.00 12.12 H new ATOM 0 HA THR A 62 5.928 -10.883 6.755 1.00 10.34 H new ATOM 0 HB THR A 62 8.090 -11.907 6.308 1.00 52.12 H new ATOM 0 HG1 THR A 62 8.826 -11.954 8.556 1.00 34.15 H new ATOM 0 HG21 THR A 62 10.222 -10.840 6.993 1.00 34.20 H new ATOM 0 HG22 THR A 62 9.434 -9.979 5.650 1.00 34.20 H new ATOM 0 HG23 THR A 62 9.347 -9.322 7.302 1.00 34.20 H new ATOM 1034 N GLU A 63 6.367 -9.145 8.745 1.00 63.13 N ATOM 1035 CA GLU A 63 6.050 -8.054 9.692 1.00 65.03 C ATOM 1036 C GLU A 63 7.066 -6.904 9.633 1.00 31.11 C ATOM 1037 O GLU A 63 6.677 -5.745 9.433 1.00 53.41 O ATOM 1038 CB GLU A 63 5.973 -8.604 11.137 1.00 11.13 C ATOM 1039 CG GLU A 63 5.611 -7.554 12.212 1.00 32.04 C ATOM 1040 CD GLU A 63 5.477 -8.168 13.611 1.00 50.24 C ATOM 1041 OE1 GLU A 63 4.389 -8.682 13.939 1.00 61.12 O ATOM 1042 OE2 GLU A 63 6.455 -8.139 14.386 1.00 21.32 O ATOM 0 H GLU A 63 6.384 -10.067 9.182 1.00 63.13 H new ATOM 0 HA GLU A 63 5.082 -7.651 9.394 1.00 65.03 H new ATOM 0 HB2 GLU A 63 5.233 -9.404 11.167 1.00 11.13 H new ATOM 0 HB3 GLU A 63 6.935 -9.049 11.393 1.00 11.13 H new ATOM 0 HG2 GLU A 63 6.377 -6.779 12.231 1.00 32.04 H new ATOM 0 HG3 GLU A 63 4.673 -7.069 11.940 1.00 32.04 H new ATOM 1049 N GLU A 64 8.366 -7.261 9.754 1.00 60.35 N ATOM 1050 CA GLU A 64 9.478 -6.294 9.804 1.00 73.32 C ATOM 1051 C GLU A 64 9.527 -5.422 8.541 1.00 22.54 C ATOM 1052 O GLU A 64 9.857 -4.258 8.630 1.00 44.35 O ATOM 1053 CB GLU A 64 10.838 -7.014 10.019 1.00 23.51 C ATOM 1054 CG GLU A 64 11.294 -7.922 8.857 1.00 1.20 C ATOM 1055 CD GLU A 64 12.530 -8.782 9.175 1.00 71.31 C ATOM 1056 OE1 GLU A 64 13.522 -8.235 9.707 1.00 55.23 O ATOM 1057 OE2 GLU A 64 12.531 -9.992 8.862 1.00 72.12 O ATOM 0 H GLU A 64 8.670 -8.232 9.820 1.00 60.35 H new ATOM 0 HA GLU A 64 9.296 -5.639 10.656 1.00 73.32 H new ATOM 0 HB2 GLU A 64 11.606 -6.260 10.192 1.00 23.51 H new ATOM 0 HB3 GLU A 64 10.772 -7.616 10.925 1.00 23.51 H new ATOM 0 HG2 GLU A 64 10.470 -8.579 8.580 1.00 1.20 H new ATOM 0 HG3 GLU A 64 11.512 -7.300 7.989 1.00 1.20 H new ATOM 1064 N VAL A 65 9.163 -6.004 7.381 1.00 32.02 N ATOM 1065 CA VAL A 65 9.107 -5.285 6.094 1.00 32.53 C ATOM 1066 C VAL A 65 7.991 -4.228 6.114 1.00 14.43 C ATOM 1067 O VAL A 65 8.264 -3.029 5.912 1.00 32.31 O ATOM 1068 CB VAL A 65 8.896 -6.297 4.898 1.00 3.25 C ATOM 1069 CG1 VAL A 65 8.583 -5.581 3.561 1.00 65.12 C ATOM 1070 CG2 VAL A 65 10.129 -7.216 4.753 1.00 42.22 C ATOM 0 H VAL A 65 8.899 -6.987 7.311 1.00 32.02 H new ATOM 0 HA VAL A 65 10.059 -4.775 5.945 1.00 32.53 H new ATOM 0 HB VAL A 65 8.023 -6.904 5.138 1.00 3.25 H new ATOM 0 HG11 VAL A 65 8.447 -6.323 2.774 1.00 65.12 H new ATOM 0 HG12 VAL A 65 7.671 -4.994 3.667 1.00 65.12 H new ATOM 0 HG13 VAL A 65 9.410 -4.921 3.299 1.00 65.12 H new ATOM 0 HG21 VAL A 65 9.971 -7.908 3.926 1.00 42.22 H new ATOM 0 HG22 VAL A 65 11.013 -6.610 4.555 1.00 42.22 H new ATOM 0 HG23 VAL A 65 10.274 -7.779 5.675 1.00 42.22 H new ATOM 1080 N VAL A 66 6.750 -4.690 6.411 1.00 15.05 N ATOM 1081 CA VAL A 66 5.539 -3.846 6.383 1.00 3.42 C ATOM 1082 C VAL A 66 5.734 -2.611 7.281 1.00 0.05 C ATOM 1083 O VAL A 66 5.830 -1.488 6.780 1.00 52.34 O ATOM 1084 CB VAL A 66 4.241 -4.635 6.836 1.00 72.22 C ATOM 1085 CG1 VAL A 66 2.972 -3.752 6.710 1.00 20.03 C ATOM 1086 CG2 VAL A 66 4.074 -5.956 6.048 1.00 1.52 C ATOM 0 H VAL A 66 6.566 -5.658 6.676 1.00 15.05 H new ATOM 0 HA VAL A 66 5.390 -3.535 5.349 1.00 3.42 H new ATOM 0 HB VAL A 66 4.370 -4.891 7.888 1.00 72.22 H new ATOM 0 HG11 VAL A 66 2.099 -4.322 7.028 1.00 20.03 H new ATOM 0 HG12 VAL A 66 3.079 -2.869 7.341 1.00 20.03 H new ATOM 0 HG13 VAL A 66 2.845 -3.443 5.672 1.00 20.03 H new ATOM 0 HG21 VAL A 66 3.174 -6.470 6.385 1.00 1.52 H new ATOM 0 HG22 VAL A 66 3.989 -5.737 4.984 1.00 1.52 H new ATOM 0 HG23 VAL A 66 4.941 -6.594 6.219 1.00 1.52 H new ATOM 1096 N ARG A 67 5.908 -2.867 8.590 1.00 2.44 N ATOM 1097 CA ARG A 67 5.936 -1.815 9.634 1.00 33.43 C ATOM 1098 C ARG A 67 7.109 -0.825 9.477 1.00 63.34 C ATOM 1099 O ARG A 67 6.991 0.333 9.869 1.00 71.11 O ATOM 1100 CB ARG A 67 5.930 -2.471 11.051 1.00 1.45 C ATOM 1101 CG ARG A 67 7.151 -3.378 11.412 1.00 51.11 C ATOM 1102 CD ARG A 67 8.375 -2.632 12.009 1.00 55.20 C ATOM 1103 NE ARG A 67 9.485 -3.544 12.332 1.00 4.24 N ATOM 1104 CZ ARG A 67 10.762 -3.168 12.534 1.00 30.24 C ATOM 1105 NH1 ARG A 67 11.129 -1.887 12.450 1.00 50.01 N ATOM 1106 NH2 ARG A 67 11.667 -4.084 12.832 1.00 54.55 N ATOM 0 H ARG A 67 6.034 -3.810 8.959 1.00 2.44 H new ATOM 0 HA ARG A 67 5.033 -1.217 9.510 1.00 33.43 H new ATOM 0 HB2 ARG A 67 5.866 -1.676 11.794 1.00 1.45 H new ATOM 0 HB3 ARG A 67 5.023 -3.068 11.145 1.00 1.45 H new ATOM 0 HG2 ARG A 67 6.823 -4.134 12.125 1.00 51.11 H new ATOM 0 HG3 ARG A 67 7.470 -3.905 10.513 1.00 51.11 H new ATOM 0 HD2 ARG A 67 8.721 -1.880 11.299 1.00 55.20 H new ATOM 0 HD3 ARG A 67 8.070 -2.102 12.911 1.00 55.20 H new ATOM 0 HE ARG A 67 9.270 -4.538 12.409 1.00 4.24 H new ATOM 0 HH11 ARG A 67 10.436 -1.172 12.229 1.00 50.01 H new ATOM 0 HH12 ARG A 67 12.102 -1.624 12.607 1.00 50.01 H new ATOM 0 HH21 ARG A 67 11.395 -5.064 12.907 1.00 54.55 H new ATOM 0 HH22 ARG A 67 12.637 -3.811 12.987 1.00 54.55 H new ATOM 1120 N ASP A 68 8.230 -1.297 8.907 1.00 5.11 N ATOM 1121 CA ASP A 68 9.467 -0.498 8.762 1.00 40.22 C ATOM 1122 C ASP A 68 9.325 0.528 7.630 1.00 64.13 C ATOM 1123 O ASP A 68 9.742 1.681 7.761 1.00 55.12 O ATOM 1124 CB ASP A 68 10.662 -1.443 8.527 1.00 1.01 C ATOM 1125 CG ASP A 68 12.007 -0.737 8.322 1.00 53.54 C ATOM 1126 OD1 ASP A 68 12.535 -0.755 7.202 1.00 2.32 O ATOM 1127 OD2 ASP A 68 12.557 -0.190 9.294 1.00 1.12 O ATOM 0 H ASP A 68 8.308 -2.243 8.533 1.00 5.11 H new ATOM 0 HA ASP A 68 9.645 0.063 9.680 1.00 40.22 H new ATOM 0 HB2 ASP A 68 10.747 -2.117 9.379 1.00 1.01 H new ATOM 0 HB3 ASP A 68 10.454 -2.059 7.652 1.00 1.01 H new ATOM 1132 N ILE A 69 8.709 0.094 6.523 1.00 74.14 N ATOM 1133 CA ILE A 69 8.388 0.972 5.383 1.00 75.12 C ATOM 1134 C ILE A 69 7.313 2.003 5.791 1.00 60.40 C ATOM 1135 O ILE A 69 7.410 3.194 5.450 1.00 42.11 O ATOM 1136 CB ILE A 69 7.893 0.120 4.167 1.00 51.34 C ATOM 1137 CG1 ILE A 69 9.028 -0.834 3.676 1.00 14.11 C ATOM 1138 CG2 ILE A 69 7.378 1.022 3.026 1.00 41.31 C ATOM 1139 CD1 ILE A 69 8.575 -1.871 2.676 1.00 22.35 C ATOM 0 H ILE A 69 8.418 -0.874 6.389 1.00 74.14 H new ATOM 0 HA ILE A 69 9.290 1.508 5.087 1.00 75.12 H new ATOM 0 HB ILE A 69 7.054 -0.493 4.495 1.00 51.34 H new ATOM 0 HG12 ILE A 69 9.822 -0.236 3.228 1.00 14.11 H new ATOM 0 HG13 ILE A 69 9.459 -1.341 4.539 1.00 14.11 H new ATOM 0 HG21 ILE A 69 7.041 0.402 2.196 1.00 41.31 H new ATOM 0 HG22 ILE A 69 6.547 1.627 3.388 1.00 41.31 H new ATOM 0 HG23 ILE A 69 8.182 1.676 2.688 1.00 41.31 H new ATOM 0 HD11 ILE A 69 9.423 -2.492 2.386 1.00 22.35 H new ATOM 0 HD12 ILE A 69 7.803 -2.497 3.125 1.00 22.35 H new ATOM 0 HD13 ILE A 69 8.171 -1.374 1.794 1.00 22.35 H new ATOM 1151 N VAL A 70 6.306 1.514 6.536 1.00 12.24 N ATOM 1152 CA VAL A 70 5.208 2.330 7.060 1.00 11.25 C ATOM 1153 C VAL A 70 5.749 3.459 7.971 1.00 74.21 C ATOM 1154 O VAL A 70 5.454 4.636 7.734 1.00 33.32 O ATOM 1155 CB VAL A 70 4.155 1.427 7.818 1.00 72.22 C ATOM 1156 CG1 VAL A 70 3.119 2.268 8.581 1.00 72.14 C ATOM 1157 CG2 VAL A 70 3.439 0.464 6.833 1.00 33.43 C ATOM 0 H VAL A 70 6.235 0.529 6.791 1.00 12.24 H new ATOM 0 HA VAL A 70 4.697 2.802 6.221 1.00 11.25 H new ATOM 0 HB VAL A 70 4.710 0.838 8.548 1.00 72.22 H new ATOM 0 HG11 VAL A 70 2.415 1.607 9.087 1.00 72.14 H new ATOM 0 HG12 VAL A 70 3.627 2.890 9.318 1.00 72.14 H new ATOM 0 HG13 VAL A 70 2.579 2.904 7.880 1.00 72.14 H new ATOM 0 HG21 VAL A 70 2.720 -0.146 7.379 1.00 33.43 H new ATOM 0 HG22 VAL A 70 2.918 1.044 6.071 1.00 33.43 H new ATOM 0 HG23 VAL A 70 4.176 -0.183 6.356 1.00 33.43 H new ATOM 1167 N GLU A 71 6.603 3.095 8.957 1.00 13.33 N ATOM 1168 CA GLU A 71 7.168 4.068 9.926 1.00 52.41 C ATOM 1169 C GLU A 71 8.135 5.048 9.233 1.00 65.42 C ATOM 1170 O GLU A 71 8.232 6.205 9.639 1.00 2.22 O ATOM 1171 CB GLU A 71 7.866 3.353 11.120 1.00 2.42 C ATOM 1172 CG GLU A 71 9.215 2.681 10.794 1.00 43.20 C ATOM 1173 CD GLU A 71 9.800 1.873 11.962 1.00 40.12 C ATOM 1174 OE1 GLU A 71 9.670 0.633 11.979 1.00 35.53 O ATOM 1175 OE2 GLU A 71 10.393 2.478 12.880 1.00 51.40 O ATOM 0 H GLU A 71 6.916 2.135 9.103 1.00 13.33 H new ATOM 0 HA GLU A 71 6.334 4.643 10.328 1.00 52.41 H new ATOM 0 HB2 GLU A 71 8.026 4.082 11.914 1.00 2.42 H new ATOM 0 HB3 GLU A 71 7.188 2.596 11.514 1.00 2.42 H new ATOM 0 HG2 GLU A 71 9.084 2.021 9.937 1.00 43.20 H new ATOM 0 HG3 GLU A 71 9.931 3.448 10.500 1.00 43.20 H new ATOM 1182 N TYR A 72 8.814 4.569 8.164 1.00 61.30 N ATOM 1183 CA TYR A 72 9.733 5.385 7.336 1.00 60.11 C ATOM 1184 C TYR A 72 8.970 6.533 6.643 1.00 62.52 C ATOM 1185 O TYR A 72 9.458 7.669 6.576 1.00 23.22 O ATOM 1186 CB TYR A 72 10.447 4.479 6.292 1.00 4.45 C ATOM 1187 CG TYR A 72 11.354 5.208 5.284 1.00 30.02 C ATOM 1188 CD1 TYR A 72 12.628 5.660 5.641 1.00 2.31 C ATOM 1189 CD2 TYR A 72 10.933 5.436 3.970 1.00 52.44 C ATOM 1190 CE1 TYR A 72 13.438 6.316 4.727 1.00 14.45 C ATOM 1191 CE2 TYR A 72 11.738 6.086 3.059 1.00 1.55 C ATOM 1192 CZ TYR A 72 12.988 6.524 3.437 1.00 74.12 C ATOM 1193 OH TYR A 72 13.785 7.188 2.525 1.00 42.42 O ATOM 0 H TYR A 72 8.739 3.601 7.850 1.00 61.30 H new ATOM 0 HA TYR A 72 10.488 5.833 7.982 1.00 60.11 H new ATOM 0 HB2 TYR A 72 11.048 3.743 6.827 1.00 4.45 H new ATOM 0 HB3 TYR A 72 9.688 3.928 5.737 1.00 4.45 H new ATOM 0 HD1 TYR A 72 12.987 5.495 6.646 1.00 2.31 H new ATOM 0 HD2 TYR A 72 9.955 5.095 3.662 1.00 52.44 H new ATOM 0 HE1 TYR A 72 14.417 6.663 5.022 1.00 14.45 H new ATOM 0 HE2 TYR A 72 11.389 6.252 2.050 1.00 1.55 H new ATOM 0 HH TYR A 72 13.584 6.868 1.621 1.00 42.42 H new ATOM 1203 N ALA A 73 7.767 6.216 6.139 1.00 2.14 N ATOM 1204 CA ALA A 73 6.861 7.212 5.543 1.00 45.22 C ATOM 1205 C ALA A 73 6.270 8.142 6.629 1.00 22.44 C ATOM 1206 O ALA A 73 6.104 9.343 6.399 1.00 41.11 O ATOM 1207 CB ALA A 73 5.752 6.508 4.753 1.00 63.03 C ATOM 0 H ALA A 73 7.396 5.266 6.133 1.00 2.14 H new ATOM 0 HA ALA A 73 7.432 7.835 4.854 1.00 45.22 H new ATOM 0 HB1 ALA A 73 5.087 7.253 4.316 1.00 63.03 H new ATOM 0 HB2 ALA A 73 6.196 5.908 3.959 1.00 63.03 H new ATOM 0 HB3 ALA A 73 5.183 5.862 5.421 1.00 63.03 H new ATOM 1213 N GLN A 74 5.991 7.571 7.825 1.00 23.24 N ATOM 1214 CA GLN A 74 5.471 8.330 8.994 1.00 62.23 C ATOM 1215 C GLN A 74 6.518 9.330 9.549 1.00 54.14 C ATOM 1216 O GLN A 74 6.149 10.312 10.207 1.00 15.22 O ATOM 1217 CB GLN A 74 5.001 7.363 10.119 1.00 75.13 C ATOM 1218 CG GLN A 74 3.810 6.459 9.738 1.00 45.14 C ATOM 1219 CD GLN A 74 3.344 5.548 10.880 1.00 61.02 C ATOM 1220 OE1 GLN A 74 3.833 4.429 11.044 1.00 32.45 O ATOM 1221 NE2 GLN A 74 2.390 6.013 11.678 1.00 70.42 N ATOM 0 H GLN A 74 6.118 6.576 8.009 1.00 23.24 H new ATOM 0 HA GLN A 74 4.615 8.907 8.644 1.00 62.23 H new ATOM 0 HB2 GLN A 74 5.840 6.731 10.410 1.00 75.13 H new ATOM 0 HB3 GLN A 74 4.727 7.952 10.994 1.00 75.13 H new ATOM 0 HG2 GLN A 74 2.976 7.085 9.420 1.00 45.14 H new ATOM 0 HG3 GLN A 74 4.090 5.843 8.884 1.00 45.14 H new ATOM 0 HE21 GLN A 74 2.002 6.943 11.521 1.00 70.42 H new ATOM 0 HE22 GLN A 74 2.045 5.440 12.448 1.00 70.42 H new ATOM 1230 N LYS A 75 7.821 9.065 9.276 1.00 71.05 N ATOM 1231 CA LYS A 75 8.930 9.991 9.618 1.00 34.34 C ATOM 1232 C LYS A 75 8.795 11.309 8.844 1.00 73.01 C ATOM 1233 O LYS A 75 9.031 12.394 9.387 1.00 3.43 O ATOM 1234 CB LYS A 75 10.315 9.353 9.318 1.00 50.04 C ATOM 1235 CG LYS A 75 10.681 8.142 10.199 1.00 55.50 C ATOM 1236 CD LYS A 75 12.089 7.580 9.890 1.00 11.23 C ATOM 1237 CE LYS A 75 13.216 8.606 10.120 1.00 41.22 C ATOM 1238 NZ LYS A 75 13.199 9.163 11.503 1.00 21.32 N ATOM 0 H LYS A 75 8.131 8.209 8.816 1.00 71.05 H new ATOM 0 HA LYS A 75 8.865 10.193 10.687 1.00 34.34 H new ATOM 0 HB2 LYS A 75 10.336 9.042 8.273 1.00 50.04 H new ATOM 0 HB3 LYS A 75 11.083 10.116 9.439 1.00 50.04 H new ATOM 0 HG2 LYS A 75 10.633 8.434 11.248 1.00 55.50 H new ATOM 0 HG3 LYS A 75 9.941 7.355 10.053 1.00 55.50 H new ATOM 0 HD2 LYS A 75 12.269 6.706 10.515 1.00 11.23 H new ATOM 0 HD3 LYS A 75 12.119 7.243 8.854 1.00 11.23 H new ATOM 0 HE2 LYS A 75 14.180 8.132 9.933 1.00 41.22 H new ATOM 0 HE3 LYS A 75 13.116 9.420 9.402 1.00 41.22 H new ATOM 0 HZ1 LYS A 75 14.023 9.783 11.638 1.00 21.32 H new ATOM 0 HZ2 LYS A 75 12.327 9.711 11.646 1.00 21.32 H new ATOM 0 HZ3 LYS A 75 13.236 8.384 12.191 1.00 21.32 H new ATOM 1252 N GLU A 76 8.393 11.188 7.571 1.00 14.24 N ATOM 1253 CA GLU A 76 8.204 12.332 6.666 1.00 30.51 C ATOM 1254 C GLU A 76 6.771 12.883 6.740 1.00 75.04 C ATOM 1255 O GLU A 76 6.435 13.829 6.018 1.00 2.25 O ATOM 1256 CB GLU A 76 8.556 11.913 5.215 1.00 42.33 C ATOM 1257 CG GLU A 76 9.985 11.363 5.037 1.00 51.32 C ATOM 1258 CD GLU A 76 11.068 12.279 5.642 1.00 35.40 C ATOM 1259 OE1 GLU A 76 11.136 13.469 5.264 1.00 32.34 O ATOM 1260 OE2 GLU A 76 11.856 11.814 6.498 1.00 75.34 O ATOM 0 H GLU A 76 8.188 10.288 7.137 1.00 14.24 H new ATOM 0 HA GLU A 76 8.873 13.132 6.982 1.00 30.51 H new ATOM 0 HB2 GLU A 76 7.845 11.155 4.887 1.00 42.33 H new ATOM 0 HB3 GLU A 76 8.428 12.775 4.560 1.00 42.33 H new ATOM 0 HG2 GLU A 76 10.049 10.379 5.502 1.00 51.32 H new ATOM 0 HG3 GLU A 76 10.185 11.227 3.974 1.00 51.32 H new ATOM 1267 N GLY A 77 5.935 12.279 7.613 1.00 12.11 N ATOM 1268 CA GLY A 77 4.539 12.693 7.789 1.00 52.41 C ATOM 1269 C GLY A 77 3.639 12.316 6.614 1.00 52.03 C ATOM 1270 O GLY A 77 2.539 12.856 6.476 1.00 2.42 O ATOM 0 H GLY A 77 6.213 11.498 8.208 1.00 12.11 H new ATOM 0 HA2 GLY A 77 4.145 12.239 8.698 1.00 52.41 H new ATOM 0 HA3 GLY A 77 4.504 13.773 7.931 1.00 52.41 H new ATOM 1274 N LEU A 78 4.130 11.407 5.755 1.00 64.15 N ATOM 1275 CA LEU A 78 3.394 10.916 4.581 1.00 64.41 C ATOM 1276 C LEU A 78 2.347 9.894 5.047 1.00 13.54 C ATOM 1277 O LEU A 78 2.714 8.876 5.652 1.00 0.12 O ATOM 1278 CB LEU A 78 4.376 10.275 3.549 1.00 51.22 C ATOM 1279 CG LEU A 78 5.564 11.173 3.069 1.00 34.23 C ATOM 1280 CD1 LEU A 78 6.451 10.438 2.040 1.00 64.44 C ATOM 1281 CD2 LEU A 78 5.074 12.531 2.522 1.00 20.40 C ATOM 0 H LEU A 78 5.055 10.990 5.858 1.00 64.15 H new ATOM 0 HA LEU A 78 2.892 11.748 4.086 1.00 64.41 H new ATOM 0 HB2 LEU A 78 4.790 9.368 3.989 1.00 51.22 H new ATOM 0 HB3 LEU A 78 3.802 9.972 2.674 1.00 51.22 H new ATOM 0 HG LEU A 78 6.180 11.382 3.944 1.00 34.23 H new ATOM 0 HD11 LEU A 78 7.266 11.092 1.729 1.00 64.44 H new ATOM 0 HD12 LEU A 78 6.862 9.536 2.493 1.00 64.44 H new ATOM 0 HD13 LEU A 78 5.852 10.167 1.171 1.00 64.44 H new ATOM 0 HD21 LEU A 78 5.930 13.124 2.200 1.00 20.40 H new ATOM 0 HD22 LEU A 78 4.409 12.363 1.675 1.00 20.40 H new ATOM 0 HD23 LEU A 78 4.537 13.066 3.305 1.00 20.40 H new ATOM 1293 N ARG A 79 1.058 10.200 4.797 1.00 51.01 N ATOM 1294 CA ARG A 79 -0.080 9.362 5.207 1.00 11.13 C ATOM 1295 C ARG A 79 0.009 7.962 4.564 1.00 23.20 C ATOM 1296 O ARG A 79 0.046 7.842 3.329 1.00 21.01 O ATOM 1297 CB ARG A 79 -1.414 10.059 4.822 1.00 74.21 C ATOM 1298 CG ARG A 79 -2.685 9.250 5.152 1.00 55.41 C ATOM 1299 CD ARG A 79 -3.984 10.008 4.826 1.00 70.32 C ATOM 1300 NE ARG A 79 -4.082 10.421 3.406 1.00 11.02 N ATOM 1301 CZ ARG A 79 -5.174 10.274 2.625 1.00 21.54 C ATOM 1302 NH1 ARG A 79 -6.283 9.704 3.098 1.00 51.20 N ATOM 1303 NH2 ARG A 79 -5.154 10.725 1.377 1.00 51.40 N ATOM 0 H ARG A 79 0.778 11.045 4.299 1.00 51.01 H new ATOM 0 HA ARG A 79 -0.048 9.235 6.289 1.00 11.13 H new ATOM 0 HB2 ARG A 79 -1.468 11.019 5.336 1.00 74.21 H new ATOM 0 HB3 ARG A 79 -1.402 10.270 3.753 1.00 74.21 H new ATOM 0 HG2 ARG A 79 -2.668 8.314 4.594 1.00 55.41 H new ATOM 0 HG3 ARG A 79 -2.679 8.990 6.211 1.00 55.41 H new ATOM 0 HD2 ARG A 79 -4.837 9.376 5.073 1.00 70.32 H new ATOM 0 HD3 ARG A 79 -4.049 10.893 5.460 1.00 70.32 H new ATOM 0 HE ARG A 79 -3.259 10.851 2.985 1.00 11.02 H new ATOM 0 HH11 ARG A 79 -6.315 9.372 4.062 1.00 51.20 H new ATOM 0 HH12 ARG A 79 -7.100 9.600 2.496 1.00 51.20 H new ATOM 0 HH21 ARG A 79 -4.317 11.180 1.012 1.00 51.40 H new ATOM 0 HH22 ARG A 79 -5.976 10.617 0.782 1.00 51.40 H new ATOM 1317 N VAL A 80 0.068 6.918 5.417 1.00 25.41 N ATOM 1318 CA VAL A 80 0.209 5.526 4.973 1.00 43.20 C ATOM 1319 C VAL A 80 -1.160 4.820 4.989 1.00 31.33 C ATOM 1320 O VAL A 80 -1.880 4.865 5.995 1.00 34.45 O ATOM 1321 CB VAL A 80 1.238 4.713 5.849 1.00 33.21 C ATOM 1322 CG1 VAL A 80 1.604 3.379 5.156 1.00 32.31 C ATOM 1323 CG2 VAL A 80 2.501 5.544 6.162 1.00 42.50 C ATOM 0 H VAL A 80 0.019 7.022 6.430 1.00 25.41 H new ATOM 0 HA VAL A 80 0.598 5.556 3.955 1.00 43.20 H new ATOM 0 HB VAL A 80 0.760 4.485 6.802 1.00 33.21 H new ATOM 0 HG11 VAL A 80 2.315 2.831 5.774 1.00 32.31 H new ATOM 0 HG12 VAL A 80 0.703 2.780 5.021 1.00 32.31 H new ATOM 0 HG13 VAL A 80 2.052 3.585 4.184 1.00 32.31 H new ATOM 0 HG21 VAL A 80 3.186 4.950 6.767 1.00 42.50 H new ATOM 0 HG22 VAL A 80 2.991 5.826 5.230 1.00 42.50 H new ATOM 0 HG23 VAL A 80 2.219 6.443 6.710 1.00 42.50 H new ATOM 1333 N LEU A 81 -1.520 4.209 3.850 1.00 41.22 N ATOM 1334 CA LEU A 81 -2.758 3.432 3.676 1.00 13.11 C ATOM 1335 C LEU A 81 -2.352 1.994 3.308 1.00 20.04 C ATOM 1336 O LEU A 81 -1.871 1.767 2.201 1.00 65.25 O ATOM 1337 CB LEU A 81 -3.640 4.033 2.524 1.00 62.01 C ATOM 1338 CG LEU A 81 -4.188 5.500 2.655 1.00 71.41 C ATOM 1339 CD1 LEU A 81 -5.025 5.691 3.921 1.00 41.11 C ATOM 1340 CD2 LEU A 81 -3.078 6.558 2.566 1.00 45.14 C ATOM 0 H LEU A 81 -0.947 4.242 3.007 1.00 41.22 H new ATOM 0 HA LEU A 81 -3.343 3.458 4.596 1.00 13.11 H new ATOM 0 HB2 LEU A 81 -3.056 3.983 1.605 1.00 62.01 H new ATOM 0 HB3 LEU A 81 -4.498 3.374 2.392 1.00 62.01 H new ATOM 0 HG LEU A 81 -4.843 5.650 1.797 1.00 71.41 H new ATOM 0 HD11 LEU A 81 -5.382 6.720 3.969 1.00 41.11 H new ATOM 0 HD12 LEU A 81 -5.877 5.011 3.900 1.00 41.11 H new ATOM 0 HD13 LEU A 81 -4.413 5.478 4.797 1.00 41.11 H new ATOM 0 HD21 LEU A 81 -3.514 7.552 2.663 1.00 45.14 H new ATOM 0 HD22 LEU A 81 -2.358 6.398 3.368 1.00 45.14 H new ATOM 0 HD23 LEU A 81 -2.573 6.475 1.604 1.00 45.14 H new ATOM 1352 N VAL A 82 -2.525 1.018 4.214 1.00 43.41 N ATOM 1353 CA VAL A 82 -2.055 -0.370 3.977 1.00 22.44 C ATOM 1354 C VAL A 82 -3.236 -1.320 3.708 1.00 2.24 C ATOM 1355 O VAL A 82 -4.214 -1.339 4.457 1.00 50.43 O ATOM 1356 CB VAL A 82 -1.181 -0.922 5.174 1.00 30.53 C ATOM 1357 CG1 VAL A 82 -0.609 -2.335 4.885 1.00 60.21 C ATOM 1358 CG2 VAL A 82 -0.054 0.068 5.539 1.00 63.10 C ATOM 0 H VAL A 82 -2.983 1.156 5.115 1.00 43.41 H new ATOM 0 HA VAL A 82 -1.421 -0.333 3.091 1.00 22.44 H new ATOM 0 HB VAL A 82 -1.845 -1.019 6.033 1.00 30.53 H new ATOM 0 HG11 VAL A 82 -0.017 -2.669 5.737 1.00 60.21 H new ATOM 0 HG12 VAL A 82 -1.430 -3.033 4.718 1.00 60.21 H new ATOM 0 HG13 VAL A 82 0.022 -2.297 3.997 1.00 60.21 H new ATOM 0 HG21 VAL A 82 0.532 -0.336 6.365 1.00 63.10 H new ATOM 0 HG22 VAL A 82 0.593 0.218 4.675 1.00 63.10 H new ATOM 0 HG23 VAL A 82 -0.490 1.022 5.836 1.00 63.10 H new ATOM 1368 N ILE A 83 -3.144 -2.078 2.605 1.00 11.53 N ATOM 1369 CA ILE A 83 -4.005 -3.238 2.330 1.00 4.44 C ATOM 1370 C ILE A 83 -3.127 -4.493 2.391 1.00 74.31 C ATOM 1371 O ILE A 83 -1.999 -4.473 1.903 1.00 2.31 O ATOM 1372 CB ILE A 83 -4.693 -3.159 0.911 1.00 74.51 C ATOM 1373 CG1 ILE A 83 -5.533 -1.865 0.778 1.00 24.31 C ATOM 1374 CG2 ILE A 83 -5.571 -4.404 0.639 1.00 4.13 C ATOM 1375 CD1 ILE A 83 -6.217 -1.694 -0.561 1.00 14.13 C ATOM 0 H ILE A 83 -2.460 -1.900 1.869 1.00 11.53 H new ATOM 0 HA ILE A 83 -4.803 -3.260 3.072 1.00 4.44 H new ATOM 0 HB ILE A 83 -3.901 -3.137 0.162 1.00 74.51 H new ATOM 0 HG12 ILE A 83 -6.290 -1.857 1.562 1.00 24.31 H new ATOM 0 HG13 ILE A 83 -4.884 -1.007 0.952 1.00 24.31 H new ATOM 0 HG21 ILE A 83 -6.030 -4.318 -0.346 1.00 4.13 H new ATOM 0 HG22 ILE A 83 -4.952 -5.300 0.673 1.00 4.13 H new ATOM 0 HG23 ILE A 83 -6.351 -4.472 1.398 1.00 4.13 H new ATOM 0 HD11 ILE A 83 -6.782 -0.762 -0.565 1.00 14.13 H new ATOM 0 HD12 ILE A 83 -5.467 -1.667 -1.352 1.00 14.13 H new ATOM 0 HD13 ILE A 83 -6.895 -2.530 -0.733 1.00 14.13 H new ATOM 1387 N MET A 84 -3.620 -5.564 3.016 1.00 52.45 N ATOM 1388 CA MET A 84 -2.950 -6.876 3.036 1.00 64.12 C ATOM 1389 C MET A 84 -3.973 -7.946 2.623 1.00 65.25 C ATOM 1390 O MET A 84 -4.988 -8.128 3.297 1.00 22.52 O ATOM 1391 CB MET A 84 -2.343 -7.149 4.448 1.00 15.15 C ATOM 1392 CG MET A 84 -1.103 -6.299 4.781 1.00 71.44 C ATOM 1393 SD MET A 84 -0.501 -6.515 6.474 1.00 32.02 S ATOM 1394 CE MET A 84 -1.655 -5.511 7.413 1.00 15.34 C ATOM 0 H MET A 84 -4.502 -5.550 3.528 1.00 52.45 H new ATOM 0 HA MET A 84 -2.120 -6.898 2.330 1.00 64.12 H new ATOM 0 HB2 MET A 84 -3.109 -6.964 5.201 1.00 15.15 H new ATOM 0 HB3 MET A 84 -2.075 -8.203 4.518 1.00 15.15 H new ATOM 0 HG2 MET A 84 -0.303 -6.553 4.086 1.00 71.44 H new ATOM 0 HG3 MET A 84 -1.342 -5.247 4.622 1.00 71.44 H new ATOM 0 HE1 MET A 84 -1.142 -5.072 8.269 1.00 15.34 H new ATOM 0 HE2 MET A 84 -2.047 -4.717 6.778 1.00 15.34 H new ATOM 0 HE3 MET A 84 -2.478 -6.134 7.764 1.00 15.34 H new ATOM 1404 N VAL A 85 -3.715 -8.609 1.475 1.00 53.23 N ATOM 1405 CA VAL A 85 -4.589 -9.641 0.886 1.00 42.02 C ATOM 1406 C VAL A 85 -3.771 -10.924 0.689 1.00 23.13 C ATOM 1407 O VAL A 85 -2.824 -10.929 -0.103 1.00 34.21 O ATOM 1408 CB VAL A 85 -5.189 -9.187 -0.505 1.00 43.43 C ATOM 1409 CG1 VAL A 85 -6.235 -10.198 -1.036 1.00 4.51 C ATOM 1410 CG2 VAL A 85 -5.769 -7.763 -0.422 1.00 5.54 C ATOM 0 H VAL A 85 -2.875 -8.437 0.922 1.00 53.23 H new ATOM 0 HA VAL A 85 -5.424 -9.809 1.567 1.00 42.02 H new ATOM 0 HB VAL A 85 -4.370 -9.169 -1.224 1.00 43.43 H new ATOM 0 HG11 VAL A 85 -6.624 -9.850 -1.993 1.00 4.51 H new ATOM 0 HG12 VAL A 85 -5.765 -11.173 -1.168 1.00 4.51 H new ATOM 0 HG13 VAL A 85 -7.054 -10.284 -0.321 1.00 4.51 H new ATOM 0 HG21 VAL A 85 -6.174 -7.478 -1.393 1.00 5.54 H new ATOM 0 HG22 VAL A 85 -6.563 -7.736 0.325 1.00 5.54 H new ATOM 0 HG23 VAL A 85 -4.981 -7.065 -0.139 1.00 5.54 H new ATOM 1420 N ASP A 86 -4.138 -11.995 1.408 1.00 44.23 N ATOM 1421 CA ASP A 86 -3.410 -13.276 1.388 1.00 34.12 C ATOM 1422 C ASP A 86 -4.225 -14.352 2.121 1.00 23.43 C ATOM 1423 O ASP A 86 -5.057 -14.038 2.978 1.00 32.51 O ATOM 1424 CB ASP A 86 -1.998 -13.123 2.028 1.00 75.24 C ATOM 1425 CG ASP A 86 -1.150 -14.398 1.913 1.00 40.13 C ATOM 1426 OD1 ASP A 86 -0.524 -14.608 0.857 1.00 14.44 O ATOM 1427 OD2 ASP A 86 -1.125 -15.208 2.868 1.00 31.21 O ATOM 0 H ASP A 86 -4.952 -11.999 2.023 1.00 44.23 H new ATOM 0 HA ASP A 86 -3.274 -13.583 0.351 1.00 34.12 H new ATOM 0 HB2 ASP A 86 -1.473 -12.299 1.546 1.00 75.24 H new ATOM 0 HB3 ASP A 86 -2.108 -12.859 3.080 1.00 75.24 H new ATOM 1432 N GLN A 87 -3.915 -15.619 1.800 1.00 30.41 N ATOM 1433 CA GLN A 87 -4.669 -16.819 2.208 1.00 72.50 C ATOM 1434 C GLN A 87 -4.725 -16.970 3.737 1.00 54.30 C ATOM 1435 O GLN A 87 -5.719 -17.459 4.293 1.00 24.45 O ATOM 1436 CB GLN A 87 -4.043 -18.095 1.558 1.00 64.34 C ATOM 1437 CG GLN A 87 -4.030 -18.133 0.005 1.00 23.45 C ATOM 1438 CD GLN A 87 -3.006 -17.187 -0.634 1.00 44.13 C ATOM 1439 OE1 GLN A 87 -1.855 -17.554 -0.845 1.00 60.12 O ATOM 1440 NE2 GLN A 87 -3.403 -15.957 -0.916 1.00 61.11 N ATOM 0 H GLN A 87 -3.102 -15.846 1.228 1.00 30.41 H new ATOM 0 HA GLN A 87 -5.693 -16.701 1.855 1.00 72.50 H new ATOM 0 HB2 GLN A 87 -3.017 -18.193 1.912 1.00 64.34 H new ATOM 0 HB3 GLN A 87 -4.589 -18.967 1.918 1.00 64.34 H new ATOM 0 HG2 GLN A 87 -3.821 -19.152 -0.321 1.00 23.45 H new ATOM 0 HG3 GLN A 87 -5.024 -17.878 -0.363 1.00 23.45 H new ATOM 0 HE21 GLN A 87 -4.366 -15.677 -0.731 1.00 61.11 H new ATOM 0 HE22 GLN A 87 -2.746 -15.289 -1.319 1.00 61.11 H new ATOM 1449 N ASP A 88 -3.645 -16.541 4.409 1.00 71.14 N ATOM 1450 CA ASP A 88 -3.585 -16.500 5.877 1.00 14.43 C ATOM 1451 C ASP A 88 -4.013 -15.093 6.335 1.00 52.44 C ATOM 1452 O ASP A 88 -3.174 -14.262 6.712 1.00 14.14 O ATOM 1453 CB ASP A 88 -2.165 -16.881 6.411 1.00 52.14 C ATOM 1454 CG ASP A 88 -2.168 -17.394 7.874 1.00 23.54 C ATOM 1455 OD1 ASP A 88 -2.910 -16.846 8.728 1.00 1.13 O ATOM 1456 OD2 ASP A 88 -1.432 -18.358 8.180 1.00 30.35 O ATOM 0 H ASP A 88 -2.793 -16.215 3.952 1.00 71.14 H new ATOM 0 HA ASP A 88 -4.266 -17.242 6.293 1.00 14.43 H new ATOM 0 HB2 ASP A 88 -1.738 -17.649 5.766 1.00 52.14 H new ATOM 0 HB3 ASP A 88 -1.514 -16.009 6.342 1.00 52.14 H new ATOM 1461 N GLN A 89 -5.337 -14.839 6.244 1.00 21.24 N ATOM 1462 CA GLN A 89 -5.989 -13.575 6.663 1.00 15.42 C ATOM 1463 C GLN A 89 -5.697 -13.270 8.144 1.00 14.45 C ATOM 1464 O GLN A 89 -5.605 -12.106 8.537 1.00 73.03 O ATOM 1465 CB GLN A 89 -7.532 -13.673 6.381 1.00 2.31 C ATOM 1466 CG GLN A 89 -8.396 -12.410 6.702 1.00 42.23 C ATOM 1467 CD GLN A 89 -8.773 -12.237 8.188 1.00 31.10 C ATOM 1468 OE1 GLN A 89 -8.921 -13.210 8.930 1.00 22.43 O ATOM 1469 NE2 GLN A 89 -8.941 -11.003 8.631 1.00 2.12 N ATOM 0 H GLN A 89 -5.997 -15.520 5.870 1.00 21.24 H new ATOM 0 HA GLN A 89 -5.581 -12.746 6.085 1.00 15.42 H new ATOM 0 HB2 GLN A 89 -7.669 -13.918 5.328 1.00 2.31 H new ATOM 0 HB3 GLN A 89 -7.929 -14.509 6.956 1.00 2.31 H new ATOM 0 HG2 GLN A 89 -7.852 -11.524 6.375 1.00 42.23 H new ATOM 0 HG3 GLN A 89 -9.312 -12.456 6.113 1.00 42.23 H new ATOM 0 HE21 GLN A 89 -8.813 -10.213 7.999 1.00 2.12 H new ATOM 0 HE22 GLN A 89 -9.198 -10.841 9.605 1.00 2.12 H new ATOM 1478 N GLU A 90 -5.538 -14.341 8.940 1.00 63.11 N ATOM 1479 CA GLU A 90 -5.301 -14.262 10.389 1.00 61.14 C ATOM 1480 C GLU A 90 -3.912 -13.645 10.697 1.00 2.13 C ATOM 1481 O GLU A 90 -3.776 -12.838 11.622 1.00 73.53 O ATOM 1482 CB GLU A 90 -5.436 -15.681 11.002 1.00 23.31 C ATOM 1483 CG GLU A 90 -6.772 -16.382 10.669 1.00 13.21 C ATOM 1484 CD GLU A 90 -6.874 -17.805 11.247 1.00 24.20 C ATOM 1485 OE1 GLU A 90 -6.384 -18.758 10.604 1.00 52.32 O ATOM 1486 OE2 GLU A 90 -7.445 -17.978 12.346 1.00 71.44 O ATOM 0 H GLU A 90 -5.571 -15.298 8.589 1.00 63.11 H new ATOM 0 HA GLU A 90 -6.046 -13.606 10.840 1.00 61.14 H new ATOM 0 HB2 GLU A 90 -4.613 -16.300 10.645 1.00 23.31 H new ATOM 0 HB3 GLU A 90 -5.334 -15.610 12.085 1.00 23.31 H new ATOM 0 HG2 GLU A 90 -7.596 -15.781 11.054 1.00 13.21 H new ATOM 0 HG3 GLU A 90 -6.890 -16.428 9.586 1.00 13.21 H new ATOM 1493 N GLU A 91 -2.898 -14.027 9.882 1.00 53.12 N ATOM 1494 CA GLU A 91 -1.523 -13.475 9.960 1.00 23.12 C ATOM 1495 C GLU A 91 -1.527 -11.976 9.607 1.00 20.10 C ATOM 1496 O GLU A 91 -0.853 -11.169 10.249 1.00 25.20 O ATOM 1497 CB GLU A 91 -0.574 -14.240 8.997 1.00 34.11 C ATOM 1498 CG GLU A 91 0.877 -13.712 8.968 1.00 71.33 C ATOM 1499 CD GLU A 91 1.782 -14.482 7.996 1.00 53.44 C ATOM 1500 OE1 GLU A 91 2.408 -15.483 8.409 1.00 42.54 O ATOM 1501 OE2 GLU A 91 1.870 -14.097 6.811 1.00 54.52 O ATOM 0 H GLU A 91 -3.011 -14.728 9.150 1.00 53.12 H new ATOM 0 HA GLU A 91 -1.162 -13.598 10.981 1.00 23.12 H new ATOM 0 HB2 GLU A 91 -0.558 -15.292 9.284 1.00 34.11 H new ATOM 0 HB3 GLU A 91 -0.985 -14.191 7.989 1.00 34.11 H new ATOM 0 HG2 GLU A 91 0.868 -12.659 8.688 1.00 71.33 H new ATOM 0 HG3 GLU A 91 1.299 -13.772 9.971 1.00 71.33 H new ATOM 1508 N LEU A 92 -2.313 -11.632 8.577 1.00 2.40 N ATOM 1509 CA LEU A 92 -2.476 -10.243 8.113 1.00 53.51 C ATOM 1510 C LEU A 92 -3.153 -9.391 9.202 1.00 31.41 C ATOM 1511 O LEU A 92 -2.765 -8.251 9.445 1.00 65.43 O ATOM 1512 CB LEU A 92 -3.339 -10.215 6.831 1.00 51.44 C ATOM 1513 CG LEU A 92 -2.907 -11.169 5.685 1.00 13.22 C ATOM 1514 CD1 LEU A 92 -3.936 -11.121 4.544 1.00 21.31 C ATOM 1515 CD2 LEU A 92 -1.476 -10.865 5.189 1.00 53.24 C ATOM 0 H LEU A 92 -2.855 -12.309 8.040 1.00 2.40 H new ATOM 0 HA LEU A 92 -1.490 -9.831 7.899 1.00 53.51 H new ATOM 0 HB2 LEU A 92 -4.366 -10.455 7.106 1.00 51.44 H new ATOM 0 HB3 LEU A 92 -3.342 -9.196 6.444 1.00 51.44 H new ATOM 0 HG LEU A 92 -2.881 -12.186 6.077 1.00 13.22 H new ATOM 0 HD11 LEU A 92 -3.625 -11.793 3.745 1.00 21.31 H new ATOM 0 HD12 LEU A 92 -4.911 -11.431 4.920 1.00 21.31 H new ATOM 0 HD13 LEU A 92 -4.003 -10.104 4.157 1.00 21.31 H new ATOM 0 HD21 LEU A 92 -1.214 -11.556 4.387 1.00 53.24 H new ATOM 0 HD22 LEU A 92 -1.430 -9.842 4.816 1.00 53.24 H new ATOM 0 HD23 LEU A 92 -0.773 -10.983 6.013 1.00 53.24 H new ATOM 1527 N GLU A 93 -4.169 -9.999 9.852 1.00 33.40 N ATOM 1528 CA GLU A 93 -4.984 -9.369 10.911 1.00 74.15 C ATOM 1529 C GLU A 93 -4.150 -9.145 12.191 1.00 40.13 C ATOM 1530 O GLU A 93 -4.431 -8.236 12.983 1.00 3.34 O ATOM 1531 CB GLU A 93 -6.235 -10.247 11.195 1.00 62.43 C ATOM 1532 CG GLU A 93 -7.265 -9.619 12.153 1.00 32.12 C ATOM 1533 CD GLU A 93 -8.503 -10.502 12.352 1.00 13.45 C ATOM 1534 OE1 GLU A 93 -8.473 -11.400 13.221 1.00 54.20 O ATOM 1535 OE2 GLU A 93 -9.510 -10.312 11.631 1.00 75.52 O ATOM 0 H GLU A 93 -4.450 -10.959 9.651 1.00 33.40 H new ATOM 0 HA GLU A 93 -5.317 -8.389 10.569 1.00 74.15 H new ATOM 0 HB2 GLU A 93 -6.728 -10.468 10.248 1.00 62.43 H new ATOM 0 HB3 GLU A 93 -5.906 -11.199 11.612 1.00 62.43 H new ATOM 0 HG2 GLU A 93 -6.794 -9.438 13.119 1.00 32.12 H new ATOM 0 HG3 GLU A 93 -7.574 -8.649 11.763 1.00 32.12 H new ATOM 1542 N ARG A 94 -3.112 -9.979 12.360 1.00 62.05 N ATOM 1543 CA ARG A 94 -2.093 -9.801 13.403 1.00 33.43 C ATOM 1544 C ARG A 94 -1.346 -8.469 13.172 1.00 41.14 C ATOM 1545 O ARG A 94 -1.267 -7.621 14.066 1.00 71.00 O ATOM 1546 CB ARG A 94 -1.101 -10.995 13.371 1.00 1.43 C ATOM 1547 CG ARG A 94 -0.007 -10.982 14.461 1.00 0.31 C ATOM 1548 CD ARG A 94 -0.572 -11.195 15.874 1.00 41.24 C ATOM 1549 NE ARG A 94 0.502 -11.385 16.865 1.00 53.22 N ATOM 1550 CZ ARG A 94 0.321 -11.688 18.163 1.00 32.44 C ATOM 1551 NH1 ARG A 94 -0.905 -11.835 18.669 1.00 2.31 N ATOM 1552 NH2 ARG A 94 1.377 -11.868 18.943 1.00 41.50 N ATOM 0 H ARG A 94 -2.956 -10.799 11.774 1.00 62.05 H new ATOM 0 HA ARG A 94 -2.570 -9.770 14.382 1.00 33.43 H new ATOM 0 HB2 ARG A 94 -1.670 -11.920 13.464 1.00 1.43 H new ATOM 0 HB3 ARG A 94 -0.616 -11.016 12.395 1.00 1.43 H new ATOM 0 HG2 ARG A 94 0.724 -11.762 14.245 1.00 0.31 H new ATOM 0 HG3 ARG A 94 0.523 -10.030 14.426 1.00 0.31 H new ATOM 0 HD2 ARG A 94 -1.181 -10.336 16.156 1.00 41.24 H new ATOM 0 HD3 ARG A 94 -1.228 -12.065 15.877 1.00 41.24 H new ATOM 0 HE ARG A 94 1.463 -11.278 16.540 1.00 53.22 H new ATOM 0 HH11 ARG A 94 -1.722 -11.718 18.069 1.00 2.31 H new ATOM 0 HH12 ARG A 94 -1.025 -12.065 19.655 1.00 2.31 H new ATOM 0 HH21 ARG A 94 2.317 -11.776 18.558 1.00 41.50 H new ATOM 0 HH22 ARG A 94 1.250 -12.098 19.929 1.00 41.50 H new ATOM 1566 N ILE A 95 -0.856 -8.285 11.930 1.00 73.45 N ATOM 1567 CA ILE A 95 -0.073 -7.094 11.530 1.00 64.32 C ATOM 1568 C ILE A 95 -0.982 -5.841 11.499 1.00 52.22 C ATOM 1569 O ILE A 95 -0.530 -4.729 11.753 1.00 52.54 O ATOM 1570 CB ILE A 95 0.620 -7.305 10.122 1.00 34.24 C ATOM 1571 CG1 ILE A 95 1.297 -8.716 10.027 1.00 72.54 C ATOM 1572 CG2 ILE A 95 1.645 -6.183 9.812 1.00 0.02 C ATOM 1573 CD1 ILE A 95 2.265 -9.062 11.152 1.00 34.54 C ATOM 0 H ILE A 95 -0.991 -8.957 11.174 1.00 73.45 H new ATOM 0 HA ILE A 95 0.713 -6.945 12.270 1.00 64.32 H new ATOM 0 HB ILE A 95 -0.165 -7.253 9.368 1.00 34.24 H new ATOM 0 HG12 ILE A 95 0.514 -9.473 10.001 1.00 72.54 H new ATOM 0 HG13 ILE A 95 1.833 -8.779 9.080 1.00 72.54 H new ATOM 0 HG21 ILE A 95 2.099 -6.364 8.838 1.00 0.02 H new ATOM 0 HG22 ILE A 95 1.137 -5.219 9.803 1.00 0.02 H new ATOM 0 HG23 ILE A 95 2.421 -6.177 10.578 1.00 0.02 H new ATOM 0 HD11 ILE A 95 2.674 -10.059 10.986 1.00 34.54 H new ATOM 0 HD12 ILE A 95 3.077 -8.335 11.170 1.00 34.54 H new ATOM 0 HD13 ILE A 95 1.737 -9.040 12.106 1.00 34.54 H new ATOM 1585 N TYR A 96 -2.278 -6.072 11.217 1.00 31.32 N ATOM 1586 CA TYR A 96 -3.338 -5.043 11.196 1.00 21.21 C ATOM 1587 C TYR A 96 -3.419 -4.301 12.545 1.00 5.45 C ATOM 1588 O TYR A 96 -3.375 -3.064 12.585 1.00 34.11 O ATOM 1589 CB TYR A 96 -4.688 -5.749 10.878 1.00 70.50 C ATOM 1590 CG TYR A 96 -5.965 -4.887 10.889 1.00 2.25 C ATOM 1591 CD1 TYR A 96 -6.507 -4.387 9.710 1.00 43.01 C ATOM 1592 CD2 TYR A 96 -6.639 -4.591 12.082 1.00 43.34 C ATOM 1593 CE1 TYR A 96 -7.660 -3.632 9.717 1.00 3.33 C ATOM 1594 CE2 TYR A 96 -7.790 -3.828 12.088 1.00 23.11 C ATOM 1595 CZ TYR A 96 -8.295 -3.348 10.902 1.00 5.21 C ATOM 1596 OH TYR A 96 -9.439 -2.579 10.894 1.00 60.13 O ATOM 0 H TYR A 96 -2.627 -7.003 10.991 1.00 31.32 H new ATOM 0 HA TYR A 96 -3.112 -4.298 10.433 1.00 21.21 H new ATOM 0 HB2 TYR A 96 -4.602 -6.210 9.894 1.00 70.50 H new ATOM 0 HB3 TYR A 96 -4.822 -6.557 11.597 1.00 70.50 H new ATOM 0 HD1 TYR A 96 -6.015 -4.594 8.771 1.00 43.01 H new ATOM 0 HD2 TYR A 96 -6.250 -4.968 13.016 1.00 43.34 H new ATOM 0 HE1 TYR A 96 -8.066 -3.262 8.787 1.00 3.33 H new ATOM 0 HE2 TYR A 96 -8.291 -3.609 13.019 1.00 23.11 H new ATOM 0 HH TYR A 96 -9.767 -2.470 11.811 1.00 60.13 H new ATOM 1606 N GLU A 97 -3.542 -5.094 13.637 1.00 41.33 N ATOM 1607 CA GLU A 97 -3.680 -4.578 15.017 1.00 44.23 C ATOM 1608 C GLU A 97 -2.453 -3.726 15.415 1.00 74.05 C ATOM 1609 O GLU A 97 -2.582 -2.708 16.116 1.00 44.20 O ATOM 1610 CB GLU A 97 -3.849 -5.754 16.022 1.00 0.43 C ATOM 1611 CG GLU A 97 -4.181 -5.306 17.463 1.00 43.25 C ATOM 1612 CD GLU A 97 -3.950 -6.399 18.517 1.00 54.23 C ATOM 1613 OE1 GLU A 97 -4.897 -7.128 18.874 1.00 15.05 O ATOM 1614 OE2 GLU A 97 -2.808 -6.521 19.004 1.00 4.52 O ATOM 0 H GLU A 97 -3.548 -6.113 13.583 1.00 41.33 H new ATOM 0 HA GLU A 97 -4.568 -3.947 15.050 1.00 44.23 H new ATOM 0 HB2 GLU A 97 -4.641 -6.412 15.665 1.00 0.43 H new ATOM 0 HB3 GLU A 97 -2.930 -6.340 16.037 1.00 0.43 H new ATOM 0 HG2 GLU A 97 -3.572 -4.437 17.714 1.00 43.25 H new ATOM 0 HG3 GLU A 97 -5.223 -4.988 17.504 1.00 43.25 H new ATOM 1621 N GLN A 98 -1.273 -4.170 14.938 1.00 1.54 N ATOM 1622 CA GLN A 98 0.011 -3.481 15.146 1.00 4.15 C ATOM 1623 C GLN A 98 -0.011 -2.077 14.514 1.00 1.12 C ATOM 1624 O GLN A 98 0.242 -1.079 15.192 1.00 63.05 O ATOM 1625 CB GLN A 98 1.169 -4.332 14.547 1.00 74.32 C ATOM 1626 CG GLN A 98 2.568 -3.662 14.585 1.00 61.44 C ATOM 1627 CD GLN A 98 3.057 -3.305 16.000 1.00 1.35 C ATOM 1628 OE1 GLN A 98 2.744 -3.976 16.983 1.00 52.41 O ATOM 1629 NE2 GLN A 98 3.824 -2.237 16.117 1.00 74.12 N ATOM 0 H GLN A 98 -1.187 -5.027 14.392 1.00 1.54 H new ATOM 0 HA GLN A 98 0.174 -3.363 16.217 1.00 4.15 H new ATOM 0 HB2 GLN A 98 1.221 -5.277 15.088 1.00 74.32 H new ATOM 0 HB3 GLN A 98 0.926 -4.570 13.512 1.00 74.32 H new ATOM 0 HG2 GLN A 98 3.292 -4.331 14.120 1.00 61.44 H new ATOM 0 HG3 GLN A 98 2.540 -2.754 13.982 1.00 61.44 H new ATOM 0 HE21 GLN A 98 4.072 -1.694 15.290 1.00 74.12 H new ATOM 0 HE22 GLN A 98 4.169 -1.955 17.035 1.00 74.12 H new ATOM 1638 N LEU A 99 -0.365 -2.029 13.216 1.00 51.55 N ATOM 1639 CA LEU A 99 -0.355 -0.795 12.409 1.00 11.31 C ATOM 1640 C LEU A 99 -1.436 0.204 12.876 1.00 11.35 C ATOM 1641 O LEU A 99 -1.277 1.418 12.724 1.00 40.14 O ATOM 1642 CB LEU A 99 -0.544 -1.157 10.919 1.00 60.33 C ATOM 1643 CG LEU A 99 0.544 -2.091 10.297 1.00 55.42 C ATOM 1644 CD1 LEU A 99 0.174 -2.505 8.856 1.00 23.44 C ATOM 1645 CD2 LEU A 99 1.939 -1.444 10.353 1.00 24.14 C ATOM 0 H LEU A 99 -0.668 -2.852 12.694 1.00 51.55 H new ATOM 0 HA LEU A 99 0.608 -0.302 12.542 1.00 11.31 H new ATOM 0 HB2 LEU A 99 -1.516 -1.637 10.803 1.00 60.33 H new ATOM 0 HB3 LEU A 99 -0.574 -0.233 10.342 1.00 60.33 H new ATOM 0 HG LEU A 99 0.579 -2.998 10.900 1.00 55.42 H new ATOM 0 HD11 LEU A 99 0.951 -3.154 8.453 1.00 23.44 H new ATOM 0 HD12 LEU A 99 -0.776 -3.039 8.863 1.00 23.44 H new ATOM 0 HD13 LEU A 99 0.085 -1.615 8.233 1.00 23.44 H new ATOM 0 HD21 LEU A 99 2.672 -2.120 9.912 1.00 24.14 H new ATOM 0 HD22 LEU A 99 1.928 -0.507 9.796 1.00 24.14 H new ATOM 0 HD23 LEU A 99 2.207 -1.246 11.391 1.00 24.14 H new ATOM 1657 N LYS A 100 -2.530 -0.320 13.449 1.00 35.25 N ATOM 1658 CA LYS A 100 -3.603 0.509 14.043 1.00 32.32 C ATOM 1659 C LYS A 100 -3.127 1.230 15.324 1.00 3.14 C ATOM 1660 O LYS A 100 -3.629 2.314 15.643 1.00 10.12 O ATOM 1661 CB LYS A 100 -4.877 -0.347 14.314 1.00 25.20 C ATOM 1662 CG LYS A 100 -5.783 -0.541 13.077 1.00 21.21 C ATOM 1663 CD LYS A 100 -6.326 0.809 12.531 1.00 54.41 C ATOM 1664 CE LYS A 100 -7.312 0.630 11.365 1.00 35.51 C ATOM 1665 NZ LYS A 100 -8.546 -0.094 11.778 1.00 10.42 N ATOM 0 H LYS A 100 -2.700 -1.323 13.516 1.00 35.25 H new ATOM 0 HA LYS A 100 -3.862 1.282 13.319 1.00 32.32 H new ATOM 0 HB2 LYS A 100 -4.572 -1.326 14.684 1.00 25.20 H new ATOM 0 HB3 LYS A 100 -5.458 0.126 15.106 1.00 25.20 H new ATOM 0 HG2 LYS A 100 -5.221 -1.049 12.293 1.00 21.21 H new ATOM 0 HG3 LYS A 100 -6.620 -1.188 13.339 1.00 21.21 H new ATOM 0 HD2 LYS A 100 -6.820 1.349 13.338 1.00 54.41 H new ATOM 0 HD3 LYS A 100 -5.489 1.425 12.201 1.00 54.41 H new ATOM 0 HE2 LYS A 100 -7.583 1.608 10.967 1.00 35.51 H new ATOM 0 HE3 LYS A 100 -6.824 0.082 10.559 1.00 35.51 H new ATOM 0 HZ1 LYS A 100 -8.579 -1.021 11.307 1.00 10.42 H new ATOM 0 HZ2 LYS A 100 -8.540 -0.229 12.809 1.00 10.42 H new ATOM 0 HZ3 LYS A 100 -9.382 0.462 11.506 1.00 10.42 H new ATOM 1679 N LYS A 101 -2.163 0.624 16.046 1.00 14.41 N ATOM 1680 CA LYS A 101 -1.482 1.289 17.185 1.00 62.04 C ATOM 1681 C LYS A 101 -0.591 2.443 16.678 1.00 10.31 C ATOM 1682 O LYS A 101 -0.462 3.475 17.340 1.00 2.21 O ATOM 1683 CB LYS A 101 -0.624 0.291 18.000 1.00 21.42 C ATOM 1684 CG LYS A 101 -1.407 -0.836 18.689 1.00 4.02 C ATOM 1685 CD LYS A 101 -0.469 -1.764 19.498 1.00 15.14 C ATOM 1686 CE LYS A 101 -1.219 -2.869 20.247 1.00 73.41 C ATOM 1687 NZ LYS A 101 -1.953 -3.767 19.320 1.00 64.31 N ATOM 0 H LYS A 101 -1.836 -0.325 15.864 1.00 14.41 H new ATOM 0 HA LYS A 101 -2.257 1.686 17.841 1.00 62.04 H new ATOM 0 HB2 LYS A 101 0.114 -0.156 17.334 1.00 21.42 H new ATOM 0 HB3 LYS A 101 -0.074 0.846 18.760 1.00 21.42 H new ATOM 0 HG2 LYS A 101 -2.157 -0.406 19.353 1.00 4.02 H new ATOM 0 HG3 LYS A 101 -1.941 -1.420 17.940 1.00 4.02 H new ATOM 0 HD2 LYS A 101 0.255 -2.218 18.822 1.00 15.14 H new ATOM 0 HD3 LYS A 101 0.095 -1.166 20.214 1.00 15.14 H new ATOM 0 HE2 LYS A 101 -0.511 -3.454 20.835 1.00 73.41 H new ATOM 0 HE3 LYS A 101 -1.921 -2.419 20.949 1.00 73.41 H new ATOM 0 HZ1 LYS A 101 -2.972 -3.565 19.375 1.00 64.31 H new ATOM 0 HZ2 LYS A 101 -1.621 -3.609 18.347 1.00 64.31 H new ATOM 0 HZ3 LYS A 101 -1.781 -4.757 19.587 1.00 64.31 H new ATOM 1701 N ASP A 102 0.006 2.244 15.487 1.00 61.41 N ATOM 1702 CA ASP A 102 0.835 3.271 14.809 1.00 31.21 C ATOM 1703 C ASP A 102 -0.021 4.439 14.281 1.00 53.13 C ATOM 1704 O ASP A 102 0.519 5.495 13.959 1.00 24.32 O ATOM 1705 CB ASP A 102 1.648 2.652 13.636 1.00 11.04 C ATOM 1706 CG ASP A 102 2.679 1.615 14.091 1.00 53.52 C ATOM 1707 OD1 ASP A 102 3.751 2.017 14.589 1.00 62.21 O ATOM 1708 OD2 ASP A 102 2.433 0.403 13.963 1.00 52.44 O ATOM 0 H ASP A 102 -0.070 1.371 14.965 1.00 61.41 H new ATOM 0 HA ASP A 102 1.526 3.659 15.557 1.00 31.21 H new ATOM 0 HB2 ASP A 102 0.959 2.184 12.933 1.00 11.04 H new ATOM 0 HB3 ASP A 102 2.159 3.450 13.097 1.00 11.04 H new ATOM 1713 N GLY A 103 -1.349 4.228 14.184 1.00 5.11 N ATOM 1714 CA GLY A 103 -2.274 5.242 13.661 1.00 23.11 C ATOM 1715 C GLY A 103 -2.306 5.251 12.146 1.00 42.22 C ATOM 1716 O GLY A 103 -2.384 6.306 11.516 1.00 53.11 O ATOM 0 H GLY A 103 -1.802 3.358 14.464 1.00 5.11 H new ATOM 0 HA2 GLY A 103 -3.276 5.051 14.044 1.00 23.11 H new ATOM 0 HA3 GLY A 103 -1.977 6.226 14.024 1.00 23.11 H new ATOM 1720 N VAL A 104 -2.218 4.051 11.569 1.00 75.25 N ATOM 1721 CA VAL A 104 -2.171 3.834 10.119 1.00 12.33 C ATOM 1722 C VAL A 104 -3.505 3.238 9.662 1.00 51.42 C ATOM 1723 O VAL A 104 -4.010 2.288 10.294 1.00 51.14 O ATOM 1724 CB VAL A 104 -0.980 2.875 9.752 1.00 72.35 C ATOM 1725 CG1 VAL A 104 -0.855 2.662 8.229 1.00 3.41 C ATOM 1726 CG2 VAL A 104 0.338 3.409 10.349 1.00 25.12 C ATOM 0 H VAL A 104 -2.177 3.185 12.106 1.00 75.25 H new ATOM 0 HA VAL A 104 -2.008 4.784 9.610 1.00 12.33 H new ATOM 0 HB VAL A 104 -1.193 1.899 10.189 1.00 72.35 H new ATOM 0 HG11 VAL A 104 -0.019 1.993 8.023 1.00 3.41 H new ATOM 0 HG12 VAL A 104 -1.776 2.221 7.846 1.00 3.41 H new ATOM 0 HG13 VAL A 104 -0.681 3.621 7.741 1.00 3.41 H new ATOM 0 HG21 VAL A 104 1.155 2.736 10.088 1.00 25.12 H new ATOM 0 HG22 VAL A 104 0.543 4.402 9.948 1.00 25.12 H new ATOM 0 HG23 VAL A 104 0.249 3.467 11.434 1.00 25.12 H new ATOM 1736 N ASP A 105 -4.075 3.794 8.577 1.00 21.14 N ATOM 1737 CA ASP A 105 -5.358 3.339 8.047 1.00 64.24 C ATOM 1738 C ASP A 105 -5.128 2.042 7.254 1.00 31.20 C ATOM 1739 O ASP A 105 -4.593 2.062 6.139 1.00 13.42 O ATOM 1740 CB ASP A 105 -5.971 4.433 7.157 1.00 4.31 C ATOM 1741 CG ASP A 105 -7.328 4.038 6.565 1.00 60.33 C ATOM 1742 OD1 ASP A 105 -7.434 3.897 5.333 1.00 1.11 O ATOM 1743 OD2 ASP A 105 -8.295 3.819 7.335 1.00 54.45 O ATOM 0 H ASP A 105 -3.658 4.563 8.053 1.00 21.14 H new ATOM 0 HA ASP A 105 -6.057 3.140 8.860 1.00 64.24 H new ATOM 0 HB2 ASP A 105 -6.089 5.345 7.742 1.00 4.31 H new ATOM 0 HB3 ASP A 105 -5.280 4.662 6.345 1.00 4.31 H new ATOM 1748 N VAL A 106 -5.516 0.916 7.865 1.00 60.13 N ATOM 1749 CA VAL A 106 -5.207 -0.436 7.366 1.00 20.20 C ATOM 1750 C VAL A 106 -6.471 -1.291 7.242 1.00 1.23 C ATOM 1751 O VAL A 106 -7.476 -1.033 7.912 1.00 62.55 O ATOM 1752 CB VAL A 106 -4.142 -1.164 8.279 1.00 71.14 C ATOM 1753 CG1 VAL A 106 -2.841 -0.358 8.352 1.00 31.24 C ATOM 1754 CG2 VAL A 106 -4.664 -1.428 9.701 1.00 61.51 C ATOM 0 H VAL A 106 -6.059 0.914 8.729 1.00 60.13 H new ATOM 0 HA VAL A 106 -4.777 -0.315 6.372 1.00 20.20 H new ATOM 0 HB VAL A 106 -3.947 -2.129 7.811 1.00 71.14 H new ATOM 0 HG11 VAL A 106 -2.125 -0.880 8.986 1.00 31.24 H new ATOM 0 HG12 VAL A 106 -2.425 -0.247 7.351 1.00 31.24 H new ATOM 0 HG13 VAL A 106 -3.046 0.627 8.771 1.00 31.24 H new ATOM 0 HG21 VAL A 106 -3.892 -1.930 10.285 1.00 61.51 H new ATOM 0 HG22 VAL A 106 -4.920 -0.481 10.176 1.00 61.51 H new ATOM 0 HG23 VAL A 106 -5.550 -2.061 9.652 1.00 61.51 H new ATOM 1764 N ARG A 107 -6.401 -2.286 6.345 1.00 62.00 N ATOM 1765 CA ARG A 107 -7.487 -3.242 6.073 1.00 23.54 C ATOM 1766 C ARG A 107 -6.901 -4.551 5.531 1.00 40.21 C ATOM 1767 O ARG A 107 -5.965 -4.535 4.718 1.00 42.02 O ATOM 1768 CB ARG A 107 -8.501 -2.617 5.085 1.00 54.23 C ATOM 1769 CG ARG A 107 -7.870 -2.003 3.803 1.00 5.44 C ATOM 1770 CD ARG A 107 -8.820 -1.027 3.080 1.00 23.53 C ATOM 1771 NE ARG A 107 -9.409 -0.043 3.999 1.00 65.33 N ATOM 1772 CZ ARG A 107 -8.739 0.926 4.649 1.00 74.20 C ATOM 1773 NH1 ARG A 107 -7.415 1.093 4.504 1.00 14.54 N ATOM 1774 NH2 ARG A 107 -9.404 1.716 5.471 1.00 23.32 N ATOM 0 H ARG A 107 -5.571 -2.453 5.776 1.00 62.00 H new ATOM 0 HA ARG A 107 -8.019 -3.470 6.997 1.00 23.54 H new ATOM 0 HB2 ARG A 107 -9.218 -3.383 4.789 1.00 54.23 H new ATOM 0 HB3 ARG A 107 -9.062 -1.840 5.605 1.00 54.23 H new ATOM 0 HG2 ARG A 107 -6.952 -1.479 4.070 1.00 5.44 H new ATOM 0 HG3 ARG A 107 -7.592 -2.806 3.120 1.00 5.44 H new ATOM 0 HD2 ARG A 107 -8.273 -0.506 2.294 1.00 23.53 H new ATOM 0 HD3 ARG A 107 -9.617 -1.591 2.594 1.00 23.53 H new ATOM 0 HE ARG A 107 -10.415 -0.100 4.158 1.00 65.33 H new ATOM 0 HH11 ARG A 107 -6.888 0.475 3.887 1.00 14.54 H new ATOM 0 HH12 ARG A 107 -6.936 1.837 5.011 1.00 14.54 H new ATOM 0 HH21 ARG A 107 -10.407 1.586 5.604 1.00 23.32 H new ATOM 0 HH22 ARG A 107 -8.915 2.457 5.974 1.00 23.32 H new ATOM 1788 N VAL A 108 -7.436 -5.691 6.006 1.00 5.11 N ATOM 1789 CA VAL A 108 -6.966 -7.034 5.630 1.00 34.51 C ATOM 1790 C VAL A 108 -8.134 -7.893 5.124 1.00 2.32 C ATOM 1791 O VAL A 108 -9.262 -7.781 5.622 1.00 13.24 O ATOM 1792 CB VAL A 108 -6.233 -7.746 6.832 1.00 63.13 C ATOM 1793 CG1 VAL A 108 -5.025 -6.913 7.296 1.00 15.53 C ATOM 1794 CG2 VAL A 108 -7.179 -8.042 8.018 1.00 2.24 C ATOM 0 H VAL A 108 -8.213 -5.704 6.667 1.00 5.11 H new ATOM 0 HA VAL A 108 -6.243 -6.919 4.822 1.00 34.51 H new ATOM 0 HB VAL A 108 -5.882 -8.710 6.463 1.00 63.13 H new ATOM 0 HG11 VAL A 108 -4.531 -7.419 8.126 1.00 15.53 H new ATOM 0 HG12 VAL A 108 -4.323 -6.800 6.470 1.00 15.53 H new ATOM 0 HG13 VAL A 108 -5.364 -5.930 7.621 1.00 15.53 H new ATOM 0 HG21 VAL A 108 -6.620 -8.532 8.815 1.00 2.24 H new ATOM 0 HG22 VAL A 108 -7.599 -7.108 8.390 1.00 2.24 H new ATOM 0 HG23 VAL A 108 -7.986 -8.695 7.686 1.00 2.24 H new ATOM 1804 N THR A 109 -7.857 -8.734 4.118 1.00 53.11 N ATOM 1805 CA THR A 109 -8.855 -9.614 3.491 1.00 24.51 C ATOM 1806 C THR A 109 -8.141 -10.755 2.743 1.00 45.11 C ATOM 1807 O THR A 109 -6.908 -10.819 2.717 1.00 11.21 O ATOM 1808 CB THR A 109 -9.802 -8.790 2.524 1.00 61.00 C ATOM 1809 OG1 THR A 109 -10.805 -9.631 1.935 1.00 31.05 O ATOM 1810 CG2 THR A 109 -9.031 -8.062 1.403 1.00 32.41 C ATOM 0 H THR A 109 -6.925 -8.824 3.712 1.00 53.11 H new ATOM 0 HA THR A 109 -9.485 -10.051 4.266 1.00 24.51 H new ATOM 0 HB THR A 109 -10.276 -8.035 3.151 1.00 61.00 H new ATOM 0 HG1 THR A 109 -11.375 -9.096 1.345 1.00 31.05 H new ATOM 0 HG21 THR A 109 -9.734 -7.515 0.774 1.00 32.41 H new ATOM 0 HG22 THR A 109 -8.320 -7.364 1.845 1.00 32.41 H new ATOM 0 HG23 THR A 109 -8.494 -8.792 0.797 1.00 32.41 H new ATOM 1818 N ASP A 110 -8.931 -11.676 2.186 1.00 62.11 N ATOM 1819 CA ASP A 110 -8.467 -12.714 1.262 1.00 52.31 C ATOM 1820 C ASP A 110 -9.598 -12.949 0.265 1.00 31.45 C ATOM 1821 O ASP A 110 -10.493 -13.778 0.491 1.00 53.34 O ATOM 1822 CB ASP A 110 -8.079 -14.028 1.995 1.00 62.01 C ATOM 1823 CG ASP A 110 -7.680 -15.175 1.033 1.00 30.42 C ATOM 1824 OD1 ASP A 110 -8.239 -16.287 1.153 1.00 53.41 O ATOM 1825 OD2 ASP A 110 -6.827 -14.961 0.137 1.00 14.13 O ATOM 0 H ASP A 110 -9.933 -11.722 2.369 1.00 62.11 H new ATOM 0 HA ASP A 110 -7.558 -12.387 0.757 1.00 52.31 H new ATOM 0 HB2 ASP A 110 -7.249 -13.826 2.672 1.00 62.01 H new ATOM 0 HB3 ASP A 110 -8.919 -14.354 2.609 1.00 62.01 H new ATOM 1830 N ASN A 111 -9.542 -12.167 -0.817 1.00 2.44 N ATOM 1831 CA ASN A 111 -10.579 -12.073 -1.848 1.00 70.41 C ATOM 1832 C ASN A 111 -10.100 -11.004 -2.833 1.00 55.11 C ATOM 1833 O ASN A 111 -10.000 -9.833 -2.459 1.00 53.33 O ATOM 1834 CB ASN A 111 -11.958 -11.688 -1.221 1.00 43.41 C ATOM 1835 CG ASN A 111 -13.156 -11.694 -2.186 1.00 4.12 C ATOM 1836 OD1 ASN A 111 -13.036 -11.446 -3.388 1.00 74.53 O ATOM 1837 ND2 ASN A 111 -14.339 -11.952 -1.647 1.00 13.33 N ATOM 0 H ASN A 111 -8.744 -11.560 -1.006 1.00 2.44 H new ATOM 0 HA ASN A 111 -10.729 -13.029 -2.349 1.00 70.41 H new ATOM 0 HB2 ASN A 111 -12.170 -12.378 -0.404 1.00 43.41 H new ATOM 0 HB3 ASN A 111 -11.872 -10.693 -0.784 1.00 43.41 H new ATOM 0 HD21 ASN A 111 -15.176 -11.948 -2.229 1.00 13.33 H new ATOM 0 HD22 ASN A 111 -14.412 -12.154 -0.650 1.00 13.33 H new ATOM 1844 N GLU A 112 -9.773 -11.421 -4.068 1.00 52.12 N ATOM 1845 CA GLU A 112 -9.207 -10.531 -5.104 1.00 20.21 C ATOM 1846 C GLU A 112 -10.214 -9.429 -5.507 1.00 22.13 C ATOM 1847 O GLU A 112 -9.828 -8.274 -5.696 1.00 32.25 O ATOM 1848 CB GLU A 112 -8.770 -11.366 -6.335 1.00 64.42 C ATOM 1849 CG GLU A 112 -8.115 -10.558 -7.479 1.00 20.11 C ATOM 1850 CD GLU A 112 -7.673 -11.448 -8.652 1.00 11.00 C ATOM 1851 OE1 GLU A 112 -8.465 -11.645 -9.599 1.00 12.14 O ATOM 1852 OE2 GLU A 112 -6.548 -11.976 -8.619 1.00 22.21 O ATOM 0 H GLU A 112 -9.893 -12.385 -4.379 1.00 52.12 H new ATOM 0 HA GLU A 112 -8.330 -10.032 -4.691 1.00 20.21 H new ATOM 0 HB2 GLU A 112 -8.068 -12.132 -6.004 1.00 64.42 H new ATOM 0 HB3 GLU A 112 -9.643 -11.884 -6.731 1.00 64.42 H new ATOM 0 HG2 GLU A 112 -8.820 -9.810 -7.841 1.00 20.11 H new ATOM 0 HG3 GLU A 112 -7.251 -10.020 -7.090 1.00 20.11 H new ATOM 1859 N ASP A 113 -11.506 -9.800 -5.568 1.00 52.43 N ATOM 1860 CA ASP A 113 -12.608 -8.875 -5.919 1.00 3.22 C ATOM 1861 C ASP A 113 -12.791 -7.813 -4.820 1.00 70.34 C ATOM 1862 O ASP A 113 -12.865 -6.613 -5.112 1.00 70.21 O ATOM 1863 CB ASP A 113 -13.932 -9.662 -6.139 1.00 74.23 C ATOM 1864 CG ASP A 113 -15.144 -8.746 -6.434 1.00 70.31 C ATOM 1865 OD1 ASP A 113 -15.261 -8.251 -7.577 1.00 4.44 O ATOM 1866 OD2 ASP A 113 -15.980 -8.514 -5.527 1.00 74.13 O ATOM 0 H ASP A 113 -11.820 -10.751 -5.375 1.00 52.43 H new ATOM 0 HA ASP A 113 -12.349 -8.369 -6.849 1.00 3.22 H new ATOM 0 HB2 ASP A 113 -13.800 -10.357 -6.968 1.00 74.23 H new ATOM 0 HB3 ASP A 113 -14.144 -10.259 -5.252 1.00 74.23 H new ATOM 1871 N GLU A 114 -12.820 -8.277 -3.555 1.00 21.32 N ATOM 1872 CA GLU A 114 -12.969 -7.400 -2.378 1.00 40.04 C ATOM 1873 C GLU A 114 -11.768 -6.445 -2.265 1.00 73.11 C ATOM 1874 O GLU A 114 -11.923 -5.277 -1.902 1.00 12.32 O ATOM 1875 CB GLU A 114 -13.090 -8.246 -1.081 1.00 13.15 C ATOM 1876 CG GLU A 114 -13.688 -7.500 0.126 1.00 52.05 C ATOM 1877 CD GLU A 114 -15.189 -7.201 -0.051 1.00 72.55 C ATOM 1878 OE1 GLU A 114 -16.018 -8.048 0.339 1.00 2.42 O ATOM 1879 OE2 GLU A 114 -15.550 -6.133 -0.597 1.00 12.33 O ATOM 0 H GLU A 114 -12.741 -9.267 -3.321 1.00 21.32 H new ATOM 0 HA GLU A 114 -13.879 -6.813 -2.503 1.00 40.04 H new ATOM 0 HB2 GLU A 114 -13.706 -9.120 -1.291 1.00 13.15 H new ATOM 0 HB3 GLU A 114 -12.100 -8.612 -0.809 1.00 13.15 H new ATOM 0 HG2 GLU A 114 -13.543 -8.097 1.026 1.00 52.05 H new ATOM 0 HG3 GLU A 114 -13.149 -6.564 0.274 1.00 52.05 H new ATOM 1886 N ALA A 115 -10.582 -6.974 -2.615 1.00 65.13 N ATOM 1887 CA ALA A 115 -9.314 -6.234 -2.609 1.00 12.21 C ATOM 1888 C ALA A 115 -9.367 -5.024 -3.553 1.00 34.45 C ATOM 1889 O ALA A 115 -8.891 -3.948 -3.200 1.00 30.12 O ATOM 1890 CB ALA A 115 -8.172 -7.165 -3.014 1.00 42.41 C ATOM 0 H ALA A 115 -10.479 -7.944 -2.914 1.00 65.13 H new ATOM 0 HA ALA A 115 -9.142 -5.862 -1.599 1.00 12.21 H new ATOM 0 HB1 ALA A 115 -7.233 -6.612 -3.008 1.00 42.41 H new ATOM 0 HB2 ALA A 115 -8.110 -7.993 -2.308 1.00 42.41 H new ATOM 0 HB3 ALA A 115 -8.358 -7.555 -4.015 1.00 42.41 H new ATOM 1896 N LYS A 116 -9.966 -5.227 -4.749 1.00 50.22 N ATOM 1897 CA LYS A 116 -10.092 -4.178 -5.788 1.00 42.42 C ATOM 1898 C LYS A 116 -11.033 -3.045 -5.332 1.00 55.54 C ATOM 1899 O LYS A 116 -10.851 -1.888 -5.719 1.00 33.34 O ATOM 1900 CB LYS A 116 -10.591 -4.790 -7.129 1.00 42.43 C ATOM 1901 CG LYS A 116 -9.659 -5.872 -7.724 1.00 14.11 C ATOM 1902 CD LYS A 116 -10.150 -6.428 -9.087 1.00 3.32 C ATOM 1903 CE LYS A 116 -10.022 -5.400 -10.225 1.00 55.32 C ATOM 1904 NZ LYS A 116 -10.463 -5.937 -11.544 1.00 34.21 N ATOM 0 H LYS A 116 -10.375 -6.121 -5.021 1.00 50.22 H new ATOM 0 HA LYS A 116 -9.102 -3.749 -5.946 1.00 42.42 H new ATOM 0 HB2 LYS A 116 -11.578 -5.225 -6.971 1.00 42.43 H new ATOM 0 HB3 LYS A 116 -10.709 -3.989 -7.858 1.00 42.43 H new ATOM 0 HG2 LYS A 116 -8.661 -5.452 -7.850 1.00 14.11 H new ATOM 0 HG3 LYS A 116 -9.571 -6.695 -7.015 1.00 14.11 H new ATOM 0 HD2 LYS A 116 -9.575 -7.319 -9.340 1.00 3.32 H new ATOM 0 HD3 LYS A 116 -11.192 -6.736 -8.996 1.00 3.32 H new ATOM 0 HE2 LYS A 116 -10.615 -4.519 -9.980 1.00 55.32 H new ATOM 0 HE3 LYS A 116 -8.984 -5.075 -10.299 1.00 55.32 H new ATOM 0 HZ1 LYS A 116 -10.467 -5.171 -12.247 1.00 34.21 H new ATOM 0 HZ2 LYS A 116 -9.808 -6.684 -11.851 1.00 34.21 H new ATOM 0 HZ3 LYS A 116 -11.421 -6.331 -11.456 1.00 34.21 H new ATOM 1918 N LYS A 117 -12.027 -3.400 -4.491 1.00 35.21 N ATOM 1919 CA LYS A 117 -12.985 -2.435 -3.914 1.00 35.40 C ATOM 1920 C LYS A 117 -12.304 -1.575 -2.833 1.00 4.51 C ATOM 1921 O LYS A 117 -12.515 -0.358 -2.765 1.00 45.42 O ATOM 1922 CB LYS A 117 -14.210 -3.188 -3.327 1.00 33.23 C ATOM 1923 CG LYS A 117 -14.995 -3.998 -4.379 1.00 42.25 C ATOM 1924 CD LYS A 117 -16.285 -4.635 -3.811 1.00 52.04 C ATOM 1925 CE LYS A 117 -17.094 -5.370 -4.888 1.00 51.42 C ATOM 1926 NZ LYS A 117 -18.386 -5.908 -4.368 1.00 72.01 N ATOM 0 H LYS A 117 -12.187 -4.362 -4.194 1.00 35.21 H new ATOM 0 HA LYS A 117 -13.332 -1.770 -4.705 1.00 35.40 H new ATOM 0 HB2 LYS A 117 -13.870 -3.862 -2.541 1.00 33.23 H new ATOM 0 HB3 LYS A 117 -14.881 -2.467 -2.861 1.00 33.23 H new ATOM 0 HG2 LYS A 117 -15.255 -3.345 -5.212 1.00 42.25 H new ATOM 0 HG3 LYS A 117 -14.353 -4.784 -4.778 1.00 42.25 H new ATOM 0 HD2 LYS A 117 -16.023 -5.334 -3.016 1.00 52.04 H new ATOM 0 HD3 LYS A 117 -16.904 -3.858 -3.362 1.00 52.04 H new ATOM 0 HE2 LYS A 117 -17.295 -4.689 -5.715 1.00 51.42 H new ATOM 0 HE3 LYS A 117 -16.498 -6.190 -5.289 1.00 51.42 H new ATOM 0 HZ1 LYS A 117 -18.893 -6.395 -5.135 1.00 72.01 H new ATOM 0 HZ2 LYS A 117 -18.197 -6.580 -3.597 1.00 72.01 H new ATOM 0 HZ3 LYS A 117 -18.969 -5.125 -4.010 1.00 72.01 H new ATOM 1940 N ARG A 118 -11.461 -2.233 -2.013 1.00 33.22 N ATOM 1941 CA ARG A 118 -10.676 -1.577 -0.944 1.00 34.33 C ATOM 1942 C ARG A 118 -9.567 -0.690 -1.541 1.00 63.43 C ATOM 1943 O ARG A 118 -9.219 0.357 -0.976 1.00 50.23 O ATOM 1944 CB ARG A 118 -10.056 -2.651 -0.006 1.00 53.12 C ATOM 1945 CG ARG A 118 -11.084 -3.571 0.692 1.00 53.34 C ATOM 1946 CD ARG A 118 -12.166 -2.792 1.475 1.00 53.44 C ATOM 1947 NE ARG A 118 -13.163 -3.686 2.090 1.00 63.34 N ATOM 1948 CZ ARG A 118 -14.357 -3.998 1.564 1.00 53.03 C ATOM 1949 NH1 ARG A 118 -14.754 -3.493 0.394 1.00 24.12 N ATOM 1950 NH2 ARG A 118 -15.162 -4.806 2.224 1.00 50.40 N ATOM 0 H ARG A 118 -11.303 -3.239 -2.072 1.00 33.22 H new ATOM 0 HA ARG A 118 -11.346 -0.941 -0.366 1.00 34.33 H new ATOM 0 HB2 ARG A 118 -9.371 -3.269 -0.587 1.00 53.12 H new ATOM 0 HB3 ARG A 118 -9.462 -2.148 0.757 1.00 53.12 H new ATOM 0 HG2 ARG A 118 -11.568 -4.198 -0.057 1.00 53.34 H new ATOM 0 HG3 ARG A 118 -10.559 -4.238 1.376 1.00 53.34 H new ATOM 0 HD2 ARG A 118 -11.689 -2.194 2.252 1.00 53.44 H new ATOM 0 HD3 ARG A 118 -12.670 -2.098 0.802 1.00 53.44 H new ATOM 0 HE ARG A 118 -12.926 -4.102 2.990 1.00 63.34 H new ATOM 0 HH11 ARG A 118 -14.145 -2.856 -0.119 1.00 24.12 H new ATOM 0 HH12 ARG A 118 -15.666 -3.744 0.013 1.00 24.12 H new ATOM 0 HH21 ARG A 118 -14.875 -5.187 3.125 1.00 50.40 H new ATOM 0 HH22 ARG A 118 -16.072 -5.050 1.833 1.00 50.40 H new ATOM 1964 N LEU A 119 -9.033 -1.136 -2.692 1.00 73.51 N ATOM 1965 CA LEU A 119 -7.983 -0.433 -3.444 1.00 14.22 C ATOM 1966 C LEU A 119 -8.570 0.890 -3.969 1.00 2.21 C ATOM 1967 O LEU A 119 -8.000 1.966 -3.762 1.00 55.13 O ATOM 1968 CB LEU A 119 -7.481 -1.347 -4.618 1.00 13.00 C ATOM 1969 CG LEU A 119 -6.007 -1.147 -5.114 1.00 62.10 C ATOM 1970 CD1 LEU A 119 -5.756 0.260 -5.681 1.00 23.51 C ATOM 1971 CD2 LEU A 119 -4.999 -1.486 -3.996 1.00 63.02 C ATOM 0 H LEU A 119 -9.325 -2.009 -3.131 1.00 73.51 H new ATOM 0 HA LEU A 119 -7.127 -0.211 -2.807 1.00 14.22 H new ATOM 0 HB2 LEU A 119 -7.593 -2.386 -4.307 1.00 13.00 H new ATOM 0 HB3 LEU A 119 -8.145 -1.196 -5.469 1.00 13.00 H new ATOM 0 HG LEU A 119 -5.855 -1.844 -5.939 1.00 62.10 H new ATOM 0 HD11 LEU A 119 -4.720 0.341 -6.009 1.00 23.51 H new ATOM 0 HD12 LEU A 119 -6.419 0.434 -6.528 1.00 23.51 H new ATOM 0 HD13 LEU A 119 -5.951 1.004 -4.908 1.00 23.51 H new ATOM 0 HD21 LEU A 119 -3.984 -1.339 -4.365 1.00 63.02 H new ATOM 0 HD22 LEU A 119 -5.172 -0.834 -3.140 1.00 63.02 H new ATOM 0 HD23 LEU A 119 -5.128 -2.525 -3.692 1.00 63.02 H new ATOM 1983 N LYS A 120 -9.747 0.761 -4.609 1.00 44.21 N ATOM 1984 CA LYS A 120 -10.515 1.880 -5.165 1.00 1.13 C ATOM 1985 C LYS A 120 -10.842 2.918 -4.080 1.00 21.10 C ATOM 1986 O LYS A 120 -10.678 4.108 -4.299 1.00 13.23 O ATOM 1987 CB LYS A 120 -11.814 1.325 -5.802 1.00 34.35 C ATOM 1988 CG LYS A 120 -12.705 2.380 -6.492 1.00 52.41 C ATOM 1989 CD LYS A 120 -13.903 1.748 -7.245 1.00 21.13 C ATOM 1990 CE LYS A 120 -13.459 0.770 -8.349 1.00 72.34 C ATOM 1991 NZ LYS A 120 -14.614 0.184 -9.091 1.00 62.10 N ATOM 0 H LYS A 120 -10.196 -0.143 -4.755 1.00 44.21 H new ATOM 0 HA LYS A 120 -9.919 2.383 -5.926 1.00 1.13 H new ATOM 0 HB2 LYS A 120 -11.545 0.564 -6.534 1.00 34.35 H new ATOM 0 HB3 LYS A 120 -12.398 0.829 -5.027 1.00 34.35 H new ATOM 0 HG2 LYS A 120 -13.079 3.079 -5.744 1.00 52.41 H new ATOM 0 HG3 LYS A 120 -12.102 2.956 -7.194 1.00 52.41 H new ATOM 0 HD2 LYS A 120 -14.538 1.222 -6.533 1.00 21.13 H new ATOM 0 HD3 LYS A 120 -14.508 2.540 -7.688 1.00 21.13 H new ATOM 0 HE2 LYS A 120 -12.807 1.290 -9.050 1.00 72.34 H new ATOM 0 HE3 LYS A 120 -12.872 -0.033 -7.904 1.00 72.34 H new ATOM 0 HZ1 LYS A 120 -14.263 -0.467 -9.822 1.00 62.10 H new ATOM 0 HZ2 LYS A 120 -15.224 -0.336 -8.429 1.00 62.10 H new ATOM 0 HZ3 LYS A 120 -15.161 0.946 -9.540 1.00 62.10 H new ATOM 2005 N GLU A 121 -11.239 2.414 -2.900 1.00 41.32 N ATOM 2006 CA GLU A 121 -11.646 3.219 -1.736 1.00 42.23 C ATOM 2007 C GLU A 121 -10.513 4.150 -1.240 1.00 24.32 C ATOM 2008 O GLU A 121 -10.765 5.307 -0.888 1.00 3.24 O ATOM 2009 CB GLU A 121 -12.088 2.256 -0.617 1.00 62.14 C ATOM 2010 CG GLU A 121 -12.542 2.937 0.680 1.00 20.34 C ATOM 2011 CD GLU A 121 -12.851 1.924 1.780 1.00 53.44 C ATOM 2012 OE1 GLU A 121 -11.890 1.316 2.310 1.00 32.24 O ATOM 2013 OE2 GLU A 121 -14.037 1.740 2.140 1.00 44.33 O ATOM 0 H GLU A 121 -11.287 1.410 -2.725 1.00 41.32 H new ATOM 0 HA GLU A 121 -12.470 3.870 -2.028 1.00 42.23 H new ATOM 0 HB2 GLU A 121 -12.905 1.638 -0.991 1.00 62.14 H new ATOM 0 HB3 GLU A 121 -11.260 1.585 -0.387 1.00 62.14 H new ATOM 0 HG2 GLU A 121 -11.764 3.619 1.023 1.00 20.34 H new ATOM 0 HG3 GLU A 121 -13.429 3.539 0.482 1.00 20.34 H new ATOM 2020 N LEU A 122 -9.267 3.638 -1.230 1.00 22.40 N ATOM 2021 CA LEU A 122 -8.078 4.433 -0.833 1.00 60.41 C ATOM 2022 C LEU A 122 -7.761 5.490 -1.892 1.00 25.30 C ATOM 2023 O LEU A 122 -7.349 6.617 -1.572 1.00 1.12 O ATOM 2024 CB LEU A 122 -6.845 3.523 -0.604 1.00 44.43 C ATOM 2025 CG LEU A 122 -6.997 2.455 0.519 1.00 2.52 C ATOM 2026 CD1 LEU A 122 -5.693 1.662 0.689 1.00 71.32 C ATOM 2027 CD2 LEU A 122 -7.448 3.092 1.851 1.00 43.30 C ATOM 0 H LEU A 122 -9.053 2.676 -1.492 1.00 22.40 H new ATOM 0 HA LEU A 122 -8.312 4.933 0.107 1.00 60.41 H new ATOM 0 HB2 LEU A 122 -6.615 3.011 -1.539 1.00 44.43 H new ATOM 0 HB3 LEU A 122 -5.989 4.154 -0.367 1.00 44.43 H new ATOM 0 HG LEU A 122 -7.780 1.759 0.217 1.00 2.52 H new ATOM 0 HD11 LEU A 122 -5.818 0.920 1.478 1.00 71.32 H new ATOM 0 HD12 LEU A 122 -5.449 1.159 -0.246 1.00 71.32 H new ATOM 0 HD13 LEU A 122 -4.885 2.343 0.956 1.00 71.32 H new ATOM 0 HD21 LEU A 122 -7.543 2.317 2.611 1.00 43.30 H new ATOM 0 HD22 LEU A 122 -6.709 3.826 2.172 1.00 43.30 H new ATOM 0 HD23 LEU A 122 -8.411 3.584 1.712 1.00 43.30 H new ATOM 2039 N LEU A 123 -7.976 5.113 -3.160 1.00 41.32 N ATOM 2040 CA LEU A 123 -7.842 6.029 -4.303 1.00 23.44 C ATOM 2041 C LEU A 123 -8.976 7.084 -4.309 1.00 41.13 C ATOM 2042 O LEU A 123 -8.808 8.161 -4.878 1.00 64.33 O ATOM 2043 CB LEU A 123 -7.752 5.232 -5.643 1.00 1.13 C ATOM 2044 CG LEU A 123 -6.314 4.742 -6.067 1.00 75.45 C ATOM 2045 CD1 LEU A 123 -5.388 5.935 -6.425 1.00 1.41 C ATOM 2046 CD2 LEU A 123 -5.663 3.840 -4.995 1.00 3.20 C ATOM 0 H LEU A 123 -8.247 4.166 -3.423 1.00 41.32 H new ATOM 0 HA LEU A 123 -6.908 6.581 -4.199 1.00 23.44 H new ATOM 0 HB2 LEU A 123 -8.402 4.361 -5.568 1.00 1.13 H new ATOM 0 HB3 LEU A 123 -8.150 5.858 -6.441 1.00 1.13 H new ATOM 0 HG LEU A 123 -6.444 4.135 -6.963 1.00 75.45 H new ATOM 0 HD11 LEU A 123 -4.406 5.560 -6.712 1.00 1.41 H new ATOM 0 HD12 LEU A 123 -5.820 6.494 -7.255 1.00 1.41 H new ATOM 0 HD13 LEU A 123 -5.287 6.590 -5.560 1.00 1.41 H new ATOM 0 HD21 LEU A 123 -4.675 3.528 -5.333 1.00 3.20 H new ATOM 0 HD22 LEU A 123 -5.569 4.394 -4.061 1.00 3.20 H new ATOM 0 HD23 LEU A 123 -6.285 2.960 -4.833 1.00 3.20 H new ATOM 2058 N GLU A 124 -10.105 6.790 -3.637 1.00 3.14 N ATOM 2059 CA GLU A 124 -11.163 7.786 -3.389 1.00 4.30 C ATOM 2060 C GLU A 124 -10.697 8.773 -2.300 1.00 3.35 C ATOM 2061 O GLU A 124 -10.943 9.965 -2.402 1.00 11.52 O ATOM 2062 CB GLU A 124 -12.500 7.105 -2.970 1.00 35.52 C ATOM 2063 CG GLU A 124 -13.090 6.116 -4.000 1.00 25.25 C ATOM 2064 CD GLU A 124 -13.360 6.748 -5.377 1.00 24.11 C ATOM 2065 OE1 GLU A 124 -14.431 7.369 -5.552 1.00 53.24 O ATOM 2066 OE2 GLU A 124 -12.512 6.624 -6.289 1.00 32.14 O ATOM 0 H GLU A 124 -10.308 5.866 -3.255 1.00 3.14 H new ATOM 0 HA GLU A 124 -11.349 8.329 -4.316 1.00 4.30 H new ATOM 0 HB2 GLU A 124 -12.339 6.574 -2.032 1.00 35.52 H new ATOM 0 HB3 GLU A 124 -13.238 7.882 -2.774 1.00 35.52 H new ATOM 0 HG2 GLU A 124 -12.403 5.279 -4.122 1.00 25.25 H new ATOM 0 HG3 GLU A 124 -14.022 5.709 -3.608 1.00 25.25 H new ATOM 2073 N LYS A 125 -9.992 8.251 -1.273 1.00 62.15 N ATOM 2074 CA LYS A 125 -9.477 9.060 -0.139 1.00 40.52 C ATOM 2075 C LYS A 125 -8.362 10.033 -0.581 1.00 2.22 C ATOM 2076 O LYS A 125 -8.187 11.091 0.033 1.00 30.23 O ATOM 2077 CB LYS A 125 -8.945 8.143 0.998 1.00 42.20 C ATOM 2078 CG LYS A 125 -10.004 7.209 1.622 1.00 70.24 C ATOM 2079 CD LYS A 125 -9.423 6.303 2.732 1.00 44.22 C ATOM 2080 CE LYS A 125 -10.465 5.315 3.276 1.00 34.32 C ATOM 2081 NZ LYS A 125 -9.929 4.511 4.401 1.00 3.23 N ATOM 0 H LYS A 125 -9.763 7.260 -1.204 1.00 62.15 H new ATOM 0 HA LYS A 125 -10.315 9.649 0.233 1.00 40.52 H new ATOM 0 HB2 LYS A 125 -8.130 7.535 0.605 1.00 42.20 H new ATOM 0 HB3 LYS A 125 -8.524 8.769 1.784 1.00 42.20 H new ATOM 0 HG2 LYS A 125 -10.813 7.810 2.036 1.00 70.24 H new ATOM 0 HG3 LYS A 125 -10.438 6.586 0.840 1.00 70.24 H new ATOM 0 HD2 LYS A 125 -8.570 5.750 2.338 1.00 44.22 H new ATOM 0 HD3 LYS A 125 -9.051 6.923 3.548 1.00 44.22 H new ATOM 0 HE2 LYS A 125 -11.346 5.863 3.609 1.00 34.32 H new ATOM 0 HE3 LYS A 125 -10.787 4.650 2.475 1.00 34.32 H new ATOM 0 HZ1 LYS A 125 -10.379 3.573 4.403 1.00 3.23 H new ATOM 0 HZ2 LYS A 125 -8.901 4.402 4.291 1.00 3.23 H new ATOM 0 HZ3 LYS A 125 -10.131 4.993 5.300 1.00 3.23 H new ATOM 2095 N VAL A 126 -7.588 9.650 -1.618 1.00 51.51 N ATOM 2096 CA VAL A 126 -6.497 10.505 -2.143 1.00 15.31 C ATOM 2097 C VAL A 126 -7.048 11.584 -3.118 1.00 43.23 C ATOM 2098 O VAL A 126 -6.566 12.721 -3.117 1.00 60.34 O ATOM 2099 CB VAL A 126 -5.343 9.651 -2.815 1.00 53.23 C ATOM 2100 CG1 VAL A 126 -5.760 9.021 -4.153 1.00 25.31 C ATOM 2101 CG2 VAL A 126 -4.046 10.471 -2.980 1.00 43.24 C ATOM 0 H VAL A 126 -7.695 8.761 -2.107 1.00 51.51 H new ATOM 0 HA VAL A 126 -6.054 11.021 -1.291 1.00 15.31 H new ATOM 0 HB VAL A 126 -5.145 8.830 -2.126 1.00 53.23 H new ATOM 0 HG11 VAL A 126 -4.926 8.450 -4.562 1.00 25.31 H new ATOM 0 HG12 VAL A 126 -6.611 8.358 -3.994 1.00 25.31 H new ATOM 0 HG13 VAL A 126 -6.039 9.807 -4.854 1.00 25.31 H new ATOM 0 HG21 VAL A 126 -3.280 9.850 -3.444 1.00 43.24 H new ATOM 0 HG22 VAL A 126 -4.242 11.338 -3.611 1.00 43.24 H new ATOM 0 HG23 VAL A 126 -3.700 10.805 -2.002 1.00 43.24 H new ATOM 2111 N LEU A 127 -8.087 11.222 -3.916 1.00 34.30 N ATOM 2112 CA LEU A 127 -8.735 12.151 -4.880 1.00 44.40 C ATOM 2113 C LEU A 127 -9.612 13.174 -4.146 1.00 42.55 C ATOM 2114 O LEU A 127 -9.750 14.321 -4.599 1.00 12.44 O ATOM 2115 CB LEU A 127 -9.560 11.365 -5.939 1.00 53.24 C ATOM 2116 CG LEU A 127 -8.724 10.525 -6.953 1.00 30.10 C ATOM 2117 CD1 LEU A 127 -9.639 9.696 -7.881 1.00 13.22 C ATOM 2118 CD2 LEU A 127 -7.760 11.422 -7.762 1.00 41.01 C ATOM 0 H LEU A 127 -8.496 10.287 -3.910 1.00 34.30 H new ATOM 0 HA LEU A 127 -7.951 12.696 -5.405 1.00 44.40 H new ATOM 0 HB2 LEU A 127 -10.245 10.696 -5.417 1.00 53.24 H new ATOM 0 HB3 LEU A 127 -10.171 12.074 -6.498 1.00 53.24 H new ATOM 0 HG LEU A 127 -8.116 9.824 -6.382 1.00 30.10 H new ATOM 0 HD11 LEU A 127 -9.027 9.121 -8.576 1.00 13.22 H new ATOM 0 HD12 LEU A 127 -10.244 9.015 -7.282 1.00 13.22 H new ATOM 0 HD13 LEU A 127 -10.292 10.366 -8.440 1.00 13.22 H new ATOM 0 HD21 LEU A 127 -7.191 10.808 -8.460 1.00 41.01 H new ATOM 0 HD22 LEU A 127 -8.333 12.165 -8.316 1.00 41.01 H new ATOM 0 HD23 LEU A 127 -7.075 11.927 -7.081 1.00 41.01 H new ATOM 2130 N GLU A 128 -10.213 12.745 -3.025 1.00 24.43 N ATOM 2131 CA GLU A 128 -10.899 13.648 -2.093 1.00 60.53 C ATOM 2132 C GLU A 128 -9.878 14.545 -1.394 1.00 15.12 C ATOM 2133 O GLU A 128 -10.017 15.782 -1.418 1.00 1.24 O ATOM 2134 CB GLU A 128 -11.709 12.842 -1.030 1.00 41.44 C ATOM 2135 CG GLU A 128 -13.023 12.236 -1.545 1.00 33.32 C ATOM 2136 CD GLU A 128 -14.091 13.303 -1.846 1.00 31.20 C ATOM 2137 OE1 GLU A 128 -14.171 13.786 -2.994 1.00 42.42 O ATOM 2138 OE2 GLU A 128 -14.852 13.668 -0.921 1.00 33.22 O ATOM 0 H GLU A 128 -10.236 11.765 -2.742 1.00 24.43 H new ATOM 0 HA GLU A 128 -11.596 14.264 -2.662 1.00 60.53 H new ATOM 0 HB2 GLU A 128 -11.080 12.038 -0.647 1.00 41.44 H new ATOM 0 HB3 GLU A 128 -11.933 13.499 -0.190 1.00 41.44 H new ATOM 0 HG2 GLU A 128 -12.824 11.662 -2.450 1.00 33.32 H new ATOM 0 HG3 GLU A 128 -13.412 11.538 -0.804 1.00 33.32 H new ATOM 2145 N HIS A 129 -8.877 13.882 -0.762 1.00 3.32 N ATOM 2146 CA HIS A 129 -7.892 14.484 0.176 1.00 75.10 C ATOM 2147 C HIS A 129 -8.556 14.801 1.545 1.00 31.51 C ATOM 2148 O HIS A 129 -7.947 14.587 2.596 1.00 63.33 O ATOM 2149 CB HIS A 129 -7.171 15.735 -0.412 1.00 52.23 C ATOM 2150 CG HIS A 129 -6.057 16.272 0.453 1.00 63.14 C ATOM 2151 ND1 HIS A 129 -4.764 15.810 0.370 1.00 52.23 N ATOM 2152 CD2 HIS A 129 -6.040 17.230 1.411 1.00 24.02 C ATOM 2153 CE1 HIS A 129 -4.009 16.452 1.228 1.00 45.14 C ATOM 2154 NE2 HIS A 129 -4.757 17.321 1.872 1.00 72.31 N ATOM 0 H HIS A 129 -8.727 12.882 -0.894 1.00 3.32 H new ATOM 0 HA HIS A 129 -7.114 13.737 0.334 1.00 75.10 H new ATOM 0 HB2 HIS A 129 -6.765 15.479 -1.391 1.00 52.23 H new ATOM 0 HB3 HIS A 129 -7.907 16.524 -0.568 1.00 52.23 H new ATOM 0 HD1 HIS A 129 -4.441 15.078 -0.263 1.00 52.23 H new ATOM 0 HD2 HIS A 129 -6.884 17.814 1.748 1.00 24.02 H new ATOM 0 HE1 HIS A 129 -2.952 16.294 1.380 1.00 45.14 H new ATOM 2163 N HIS A 130 -9.801 15.327 1.482 1.00 51.34 N ATOM 2164 CA HIS A 130 -10.702 15.602 2.623 1.00 33.21 C ATOM 2165 C HIS A 130 -10.756 14.444 3.644 1.00 2.11 C ATOM 2166 O HIS A 130 -10.772 14.678 4.854 1.00 61.22 O ATOM 2167 CB HIS A 130 -12.127 15.910 2.062 1.00 13.14 C ATOM 2168 CG HIS A 130 -13.064 16.571 3.038 1.00 51.23 C ATOM 2169 ND1 HIS A 130 -13.416 17.900 2.956 1.00 61.51 N ATOM 2170 CD2 HIS A 130 -13.732 16.082 4.108 1.00 0.14 C ATOM 2171 CE1 HIS A 130 -14.249 18.194 3.930 1.00 11.11 C ATOM 2172 NE2 HIS A 130 -14.454 17.107 4.640 1.00 65.55 N ATOM 0 H HIS A 130 -10.224 15.583 0.590 1.00 51.34 H new ATOM 0 HA HIS A 130 -10.309 16.460 3.168 1.00 33.21 H new ATOM 0 HB2 HIS A 130 -12.026 16.551 1.187 1.00 13.14 H new ATOM 0 HB3 HIS A 130 -12.578 14.977 1.723 1.00 13.14 H new ATOM 0 HD2 HIS A 130 -13.699 15.066 4.473 1.00 0.14 H new ATOM 0 HE1 HIS A 130 -14.689 19.163 4.115 1.00 11.11 H new ATOM 0 HE2 HIS A 130 -15.058 17.042 5.459 1.00 65.55 H new ATOM 2181 N HIS A 131 -10.766 13.200 3.139 1.00 24.55 N ATOM 2182 CA HIS A 131 -10.769 11.988 3.986 1.00 54.14 C ATOM 2183 C HIS A 131 -9.333 11.672 4.447 1.00 71.24 C ATOM 2184 O HIS A 131 -8.543 11.150 3.658 1.00 5.24 O ATOM 2185 CB HIS A 131 -11.388 10.785 3.209 1.00 11.24 C ATOM 2186 CG HIS A 131 -12.868 10.925 2.942 1.00 11.33 C ATOM 2187 ND1 HIS A 131 -13.818 10.132 3.547 1.00 21.32 N ATOM 2188 CD2 HIS A 131 -13.557 11.777 2.145 1.00 61.30 C ATOM 2189 CE1 HIS A 131 -15.016 10.489 3.140 1.00 4.53 C ATOM 2190 NE2 HIS A 131 -14.886 11.485 2.289 1.00 74.35 N ATOM 0 H HIS A 131 -10.772 13.002 2.138 1.00 24.55 H new ATOM 0 HA HIS A 131 -11.383 12.167 4.868 1.00 54.14 H new ATOM 0 HB2 HIS A 131 -10.866 10.672 2.259 1.00 11.24 H new ATOM 0 HB3 HIS A 131 -11.216 9.871 3.777 1.00 11.24 H new ATOM 0 HD2 HIS A 131 -13.135 12.545 1.513 1.00 61.30 H new ATOM 0 HE1 HIS A 131 -15.948 10.041 3.451 1.00 4.53 H new ATOM 0 HE2 HIS A 131 -15.652 11.962 1.814 1.00 74.35 H new ATOM 2199 N HIS A 132 -8.998 12.039 5.715 1.00 43.31 N ATOM 2200 CA HIS A 132 -7.648 11.814 6.298 1.00 1.51 C ATOM 2201 C HIS A 132 -7.628 11.977 7.843 1.00 4.45 C ATOM 2202 O HIS A 132 -6.554 11.869 8.454 1.00 32.54 O ATOM 2203 CB HIS A 132 -6.602 12.771 5.649 1.00 15.14 C ATOM 2204 CG HIS A 132 -6.802 14.236 5.969 1.00 51.30 C ATOM 2205 ND1 HIS A 132 -7.713 15.025 5.311 1.00 44.45 N ATOM 2206 CD2 HIS A 132 -6.183 15.058 6.858 1.00 4.24 C ATOM 2207 CE1 HIS A 132 -7.654 16.251 5.775 1.00 52.25 C ATOM 2208 NE2 HIS A 132 -6.734 16.307 6.711 1.00 52.30 N ATOM 0 H HIS A 132 -9.649 12.494 6.354 1.00 43.31 H new ATOM 0 HA HIS A 132 -7.382 10.780 6.077 1.00 1.51 H new ATOM 0 HB2 HIS A 132 -5.606 12.474 5.977 1.00 15.14 H new ATOM 0 HB3 HIS A 132 -6.633 12.642 4.567 1.00 15.14 H new ATOM 0 HD1 HIS A 132 -8.341 14.706 4.573 1.00 44.45 H new ATOM 0 HD2 HIS A 132 -5.403 14.780 7.551 1.00 4.24 H new ATOM 0 HE1 HIS A 132 -8.262 17.079 5.442 1.00 52.25 H new ATOM 2217 N HIS A 133 -8.807 12.235 8.465 1.00 75.41 N ATOM 2218 CA HIS A 133 -8.927 12.448 9.935 1.00 0.41 C ATOM 2219 C HIS A 133 -8.538 11.157 10.687 1.00 11.24 C ATOM 2220 O HIS A 133 -7.831 11.196 11.700 1.00 54.21 O ATOM 2221 CB HIS A 133 -10.370 12.896 10.292 1.00 32.11 C ATOM 2222 CG HIS A 133 -10.600 13.282 11.740 1.00 72.34 C ATOM 2223 ND1 HIS A 133 -10.666 14.594 12.167 1.00 21.02 N ATOM 2224 CD2 HIS A 133 -10.838 12.528 12.846 1.00 74.40 C ATOM 2225 CE1 HIS A 133 -10.927 14.626 13.457 1.00 11.44 C ATOM 2226 NE2 HIS A 133 -11.035 13.390 13.889 1.00 52.45 N ATOM 0 H HIS A 133 -9.696 12.301 7.969 1.00 75.41 H new ATOM 0 HA HIS A 133 -8.243 13.239 10.244 1.00 0.41 H new ATOM 0 HB2 HIS A 133 -10.633 13.746 9.663 1.00 32.11 H new ATOM 0 HB3 HIS A 133 -11.055 12.087 10.038 1.00 32.11 H new ATOM 0 HD2 HIS A 133 -10.866 11.449 12.892 1.00 74.40 H new ATOM 0 HE1 HIS A 133 -11.034 15.517 14.058 1.00 11.44 H new ATOM 0 HE2 HIS A 133 -11.234 13.116 14.851 1.00 52.45 H new ATOM 2235 N HIS A 134 -9.049 10.033 10.184 1.00 2.44 N ATOM 2236 CA HIS A 134 -8.573 8.680 10.519 1.00 15.44 C ATOM 2237 C HIS A 134 -7.689 8.185 9.350 1.00 43.23 C ATOM 2238 O HIS A 134 -6.503 7.874 9.569 1.00 52.45 O ATOM 2239 CB HIS A 134 -9.778 7.729 10.775 1.00 62.30 C ATOM 2240 CG HIS A 134 -9.440 6.257 10.765 1.00 40.34 C ATOM 2241 ND1 HIS A 134 -8.765 5.624 11.781 1.00 60.52 N ATOM 2242 CD2 HIS A 134 -9.671 5.307 9.831 1.00 41.02 C ATOM 2243 CE1 HIS A 134 -8.590 4.354 11.467 1.00 75.10 C ATOM 2244 NE2 HIS A 134 -9.135 4.132 10.287 1.00 54.12 N ATOM 2245 OXT HIS A 134 -8.188 8.168 8.201 1.00 37.02 O ATOM 0 H HIS A 134 -9.822 10.032 9.518 1.00 2.44 H new ATOM 0 HA HIS A 134 -7.984 8.694 11.436 1.00 15.44 H new ATOM 0 HB2 HIS A 134 -10.221 7.979 11.739 1.00 62.30 H new ATOM 0 HB3 HIS A 134 -10.538 7.917 10.017 1.00 62.30 H new ATOM 0 HD2 HIS A 134 -10.186 5.449 8.893 1.00 41.02 H new ATOM 0 HE1 HIS A 134 -8.084 3.619 12.075 1.00 75.10 H new ATOM 0 HE2 HIS A 134 -9.154 3.238 9.797 1.00 54.12 H new TER 2254 HIS A 134