USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 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 8 HIS : +bothHN:sc= 0.506 K(o=0.62,f=-8.9!) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.113 X(o=0.62,f=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0645) USER MOD Single : A 3 HIS : no HE2:sc= 0.61 K(o=0.61,f=-2.4!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 16:sc= 0.363 USER MOD Single : A 10 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-7!) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.185 (180deg=-0.7) USER MOD Single : A 22 THR OG1 : rot -40:sc= 1 USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.12) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -3.71 K(o=-3.7,f=-11!) USER MOD Single : A 36 HIS : no HD1:sc= -4.31! X(o=-4.3!,f=-3.9) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.578 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0665 X(o=-0.067,f=-0.067) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -0:sc= 0.645 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.4) USER MOD Single : A 76 TYR OH : rot -140:sc= 0.391 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 132:sc= -0.0936 (180deg=-0.375) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.53) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.037 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.325 13.528 4.711 1.00 70.55 N ATOM 2 CA MET A 1 -3.677 13.991 5.966 1.00 30.42 C ATOM 3 C MET A 1 -2.611 15.058 5.679 1.00 33.23 C ATOM 4 O MET A 1 -1.746 14.872 4.827 1.00 12.02 O ATOM 5 CB MET A 1 -3.039 12.807 6.704 1.00 75.25 C ATOM 6 CG MET A 1 -4.044 11.765 7.176 1.00 1.03 C ATOM 7 SD MET A 1 -5.274 12.459 8.299 1.00 33.14 S ATOM 8 CE MET A 1 -6.218 10.992 8.723 1.00 34.55 C ATOM 0 H1 MET A 1 -5.130 12.911 4.943 1.00 70.55 H new ATOM 0 H2 MET A 1 -4.663 14.350 4.171 1.00 70.55 H new ATOM 0 H3 MET A 1 -3.636 12.998 4.140 1.00 70.55 H new ATOM 0 HA MET A 1 -4.448 14.435 6.595 1.00 30.42 H new ATOM 0 HB2 MET A 1 -2.315 12.328 6.045 1.00 75.25 H new ATOM 0 HB3 MET A 1 -2.487 13.182 7.566 1.00 75.25 H new ATOM 0 HG2 MET A 1 -4.548 11.332 6.312 1.00 1.03 H new ATOM 0 HG3 MET A 1 -3.515 10.954 7.676 1.00 1.03 H new ATOM 0 HE1 MET A 1 -7.018 11.261 9.413 1.00 34.55 H new ATOM 0 HE2 MET A 1 -6.648 10.562 7.818 1.00 34.55 H new ATOM 0 HE3 MET A 1 -5.562 10.261 9.195 1.00 34.55 H new ATOM 20 N GLY A 2 -2.677 16.174 6.400 1.00 4.13 N ATOM 21 CA GLY A 2 -1.713 17.252 6.210 1.00 34.50 C ATOM 22 C GLY A 2 -0.326 16.933 6.768 1.00 14.44 C ATOM 23 O GLY A 2 0.027 17.370 7.865 1.00 12.24 O ATOM 0 H GLY A 2 -3.382 16.354 7.115 1.00 4.13 H new ATOM 0 HA2 GLY A 2 -1.627 17.469 5.145 1.00 34.50 H new ATOM 0 HA3 GLY A 2 -2.090 18.155 6.690 1.00 34.50 H new ATOM 27 N HIS A 3 0.453 16.152 6.021 1.00 4.12 N ATOM 28 CA HIS A 3 1.839 15.842 6.396 1.00 31.14 C ATOM 29 C HIS A 3 2.834 16.663 5.562 1.00 32.40 C ATOM 30 O HIS A 3 2.596 16.939 4.383 1.00 3.02 O ATOM 31 CB HIS A 3 2.127 14.345 6.229 1.00 63.21 C ATOM 32 CG HIS A 3 1.357 13.470 7.175 1.00 3.21 C ATOM 33 ND1 HIS A 3 1.255 12.105 7.022 1.00 63.12 N ATOM 34 CD2 HIS A 3 0.670 13.767 8.306 1.00 3.53 C ATOM 35 CE1 HIS A 3 0.544 11.602 8.008 1.00 44.11 C ATOM 36 NE2 HIS A 3 0.177 12.585 8.804 1.00 51.45 N ATOM 0 H HIS A 3 0.150 15.719 5.149 1.00 4.12 H new ATOM 0 HA HIS A 3 1.964 16.109 7.445 1.00 31.14 H new ATOM 0 HB2 HIS A 3 1.893 14.052 5.206 1.00 63.21 H new ATOM 0 HB3 HIS A 3 3.193 14.171 6.375 1.00 63.21 H new ATOM 0 HD1 HIS A 3 1.668 11.566 6.260 1.00 63.12 H new ATOM 0 HD2 HIS A 3 0.536 14.749 8.735 1.00 3.53 H new ATOM 0 HE1 HIS A 3 0.302 10.558 8.142 1.00 44.11 H new ATOM 45 N HIS A 4 3.951 17.036 6.176 1.00 0.13 N ATOM 46 CA HIS A 4 4.967 17.852 5.505 1.00 0.53 C ATOM 47 C HIS A 4 5.924 16.976 4.679 1.00 31.15 C ATOM 48 O HIS A 4 6.158 15.811 5.008 1.00 10.00 O ATOM 49 CB HIS A 4 5.747 18.670 6.539 1.00 5.41 C ATOM 50 CG HIS A 4 4.863 19.461 7.454 1.00 44.23 C ATOM 51 ND1 HIS A 4 4.547 19.051 8.730 1.00 33.13 N ATOM 52 CD2 HIS A 4 4.208 20.633 7.270 1.00 43.12 C ATOM 53 CE1 HIS A 4 3.740 19.927 9.288 1.00 40.35 C ATOM 54 NE2 HIS A 4 3.518 20.897 8.428 1.00 72.14 N ATOM 0 H HIS A 4 4.180 16.788 7.139 1.00 0.13 H new ATOM 0 HA HIS A 4 4.463 18.533 4.820 1.00 0.53 H new ATOM 0 HB2 HIS A 4 6.365 17.997 7.133 1.00 5.41 H new ATOM 0 HB3 HIS A 4 6.423 19.350 6.020 1.00 5.41 H new ATOM 0 HD2 HIS A 4 4.225 21.245 6.380 1.00 43.12 H new ATOM 0 HE1 HIS A 4 3.329 19.861 10.285 1.00 40.35 H new ATOM 0 HE2 HIS A 4 2.929 21.713 8.594 1.00 72.14 H new ATOM 63 N HIS A 5 6.477 17.545 3.610 1.00 11.24 N ATOM 64 CA HIS A 5 7.323 16.790 2.681 1.00 25.14 C ATOM 65 C HIS A 5 8.722 16.510 3.252 1.00 61.13 C ATOM 66 O HIS A 5 9.057 15.358 3.530 1.00 11.22 O ATOM 67 CB HIS A 5 7.432 17.531 1.341 1.00 4.24 C ATOM 68 CG HIS A 5 6.132 17.598 0.592 1.00 4.12 C ATOM 69 ND1 HIS A 5 5.834 16.774 -0.473 1.00 75.03 N ATOM 70 CD2 HIS A 5 5.044 18.386 0.765 1.00 21.23 C ATOM 71 CE1 HIS A 5 4.629 17.053 -0.920 1.00 51.20 C ATOM 72 NE2 HIS A 5 4.125 18.024 -0.189 1.00 30.24 N ATOM 0 H HIS A 5 6.356 18.527 3.363 1.00 11.24 H new ATOM 0 HA HIS A 5 6.844 15.824 2.524 1.00 25.14 H new ATOM 0 HB2 HIS A 5 7.792 18.544 1.522 1.00 4.24 H new ATOM 0 HB3 HIS A 5 8.177 17.035 0.719 1.00 4.24 H new ATOM 0 HD2 HIS A 5 4.922 19.155 1.513 1.00 21.23 H new ATOM 0 HE1 HIS A 5 4.136 16.566 -1.748 1.00 51.20 H new ATOM 0 HE2 HIS A 5 3.202 18.440 -0.311 1.00 30.24 H new ATOM 81 N HIS A 6 9.527 17.563 3.425 1.00 33.30 N ATOM 82 CA HIS A 6 10.920 17.417 3.876 1.00 74.55 C ATOM 83 C HIS A 6 11.726 16.527 2.914 1.00 73.21 C ATOM 84 O HIS A 6 11.510 15.317 2.864 1.00 1.23 O ATOM 85 CB HIS A 6 10.966 16.847 5.311 1.00 75.44 C ATOM 86 CG HIS A 6 12.332 16.411 5.763 1.00 43.40 C ATOM 87 ND1 HIS A 6 13.248 17.264 6.338 1.00 4.11 N ATOM 88 CD2 HIS A 6 12.933 15.193 5.729 1.00 23.31 C ATOM 89 CE1 HIS A 6 14.347 16.596 6.634 1.00 41.15 C ATOM 90 NE2 HIS A 6 14.183 15.340 6.278 1.00 72.25 N ATOM 0 H HIS A 6 9.240 18.528 3.260 1.00 33.30 H new ATOM 0 HA HIS A 6 11.378 18.406 3.879 1.00 74.55 H new ATOM 0 HB2 HIS A 6 10.593 17.603 6.001 1.00 75.44 H new ATOM 0 HB3 HIS A 6 10.288 15.996 5.373 1.00 75.44 H new ATOM 0 HD2 HIS A 6 12.507 14.279 5.342 1.00 23.31 H new ATOM 0 HE1 HIS A 6 15.233 17.011 7.092 1.00 41.15 H new ATOM 0 HE2 HIS A 6 14.872 14.597 6.391 1.00 72.25 H new ATOM 99 N HIS A 7 12.656 17.124 2.159 1.00 44.52 N ATOM 100 CA HIS A 7 13.487 16.365 1.205 1.00 73.42 C ATOM 101 C HIS A 7 13.990 15.050 1.822 1.00 71.35 C ATOM 102 O HIS A 7 14.889 15.046 2.661 1.00 23.45 O ATOM 103 CB HIS A 7 14.676 17.209 0.720 1.00 4.21 C ATOM 104 CG HIS A 7 14.280 18.385 -0.120 1.00 62.45 C ATOM 105 ND1 HIS A 7 14.459 19.694 0.278 1.00 64.31 N ATOM 106 CD2 HIS A 7 13.720 18.445 -1.352 1.00 73.20 C ATOM 107 CE1 HIS A 7 14.024 20.504 -0.667 1.00 13.21 C ATOM 108 NE2 HIS A 7 13.574 19.772 -1.663 1.00 72.15 N ATOM 0 H HIS A 7 12.855 18.124 2.186 1.00 44.52 H new ATOM 0 HA HIS A 7 12.858 16.122 0.349 1.00 73.42 H new ATOM 0 HB2 HIS A 7 15.234 17.564 1.586 1.00 4.21 H new ATOM 0 HB3 HIS A 7 15.350 16.574 0.145 1.00 4.21 H new ATOM 0 HD2 HIS A 7 13.441 17.606 -1.972 1.00 73.20 H new ATOM 0 HE1 HIS A 7 14.035 21.583 -0.630 1.00 13.21 H new ATOM 0 HE2 HIS A 7 13.179 20.135 -2.530 1.00 72.15 H new ATOM 117 N HIS A 8 13.372 13.942 1.414 1.00 74.32 N ATOM 118 CA HIS A 8 13.674 12.621 1.976 1.00 21.52 C ATOM 119 C HIS A 8 14.003 11.600 0.874 1.00 64.23 C ATOM 120 O HIS A 8 14.246 11.969 -0.274 1.00 0.33 O ATOM 121 CB HIS A 8 12.489 12.134 2.834 1.00 11.15 C ATOM 122 CG HIS A 8 11.162 12.109 2.120 1.00 4.12 C ATOM 123 ND1 HIS A 8 10.209 13.096 2.268 1.00 70.42 N ATOM 124 CD2 HIS A 8 10.616 11.196 1.279 1.00 52.10 C ATOM 125 CE1 HIS A 8 9.143 12.793 1.556 1.00 21.02 C ATOM 126 NE2 HIS A 8 9.362 11.647 0.946 1.00 44.12 N ATOM 0 H HIS A 8 12.653 13.931 0.690 1.00 74.32 H new ATOM 0 HA HIS A 8 14.558 12.713 2.607 1.00 21.52 H new ATOM 0 HB2 HIS A 8 12.710 11.130 3.197 1.00 11.15 H new ATOM 0 HB3 HIS A 8 12.403 12.778 3.709 1.00 11.15 H new ATOM 0 HD1 HIS A 8 10.314 13.933 2.842 1.00 70.42 H new ATOM 0 HD2 HIS A 8 11.081 10.284 0.935 1.00 52.10 H new ATOM 0 HE1 HIS A 8 8.242 13.384 1.485 1.00 21.02 H new ATOM 0 HE2 HIS A 8 8.706 11.171 0.326 1.00 44.12 H new ATOM 135 N SER A 9 14.016 10.320 1.239 1.00 65.43 N ATOM 136 CA SER A 9 14.327 9.235 0.294 1.00 53.41 C ATOM 137 C SER A 9 13.333 9.164 -0.876 1.00 14.02 C ATOM 138 O SER A 9 12.245 9.738 -0.829 1.00 11.10 O ATOM 139 CB SER A 9 14.343 7.890 1.027 1.00 31.43 C ATOM 140 OG SER A 9 13.135 7.679 1.748 1.00 65.43 O ATOM 0 H SER A 9 13.814 10.001 2.187 1.00 65.43 H new ATOM 0 HA SER A 9 15.310 9.452 -0.123 1.00 53.41 H new ATOM 0 HB2 SER A 9 14.485 7.083 0.308 1.00 31.43 H new ATOM 0 HB3 SER A 9 15.189 7.858 1.714 1.00 31.43 H new ATOM 0 HG SER A 9 12.449 8.300 1.426 1.00 65.43 H new ATOM 146 N HIS A 10 13.719 8.436 -1.919 1.00 13.02 N ATOM 147 CA HIS A 10 12.887 8.265 -3.111 1.00 53.45 C ATOM 148 C HIS A 10 11.560 7.548 -2.775 1.00 22.32 C ATOM 149 O HIS A 10 11.553 6.357 -2.471 1.00 10.44 O ATOM 150 CB HIS A 10 13.681 7.468 -4.155 1.00 50.54 C ATOM 151 CG HIS A 10 13.052 7.416 -5.510 1.00 75.43 C ATOM 152 ND1 HIS A 10 13.524 8.138 -6.586 1.00 0.03 N ATOM 153 CD2 HIS A 10 11.999 6.707 -5.976 1.00 21.24 C ATOM 154 CE1 HIS A 10 12.792 7.876 -7.646 1.00 42.10 C ATOM 155 NE2 HIS A 10 11.863 7.013 -7.305 1.00 21.00 N ATOM 0 H HIS A 10 14.614 7.948 -1.965 1.00 13.02 H new ATOM 0 HA HIS A 10 12.630 9.246 -3.509 1.00 53.45 H new ATOM 0 HB2 HIS A 10 14.675 7.905 -4.247 1.00 50.54 H new ATOM 0 HB3 HIS A 10 13.813 6.449 -3.791 1.00 50.54 H new ATOM 0 HD2 HIS A 10 11.381 6.027 -5.408 1.00 21.24 H new ATOM 0 HE1 HIS A 10 12.931 8.299 -8.630 1.00 42.10 H new ATOM 0 HE2 HIS A 10 11.153 6.631 -7.930 1.00 21.00 H new ATOM 164 N MET A 11 10.442 8.282 -2.836 1.00 44.52 N ATOM 165 CA MET A 11 9.121 7.718 -2.505 1.00 10.45 C ATOM 166 C MET A 11 8.730 6.560 -3.444 1.00 71.12 C ATOM 167 O MET A 11 9.192 6.479 -4.585 1.00 71.12 O ATOM 168 CB MET A 11 8.044 8.815 -2.521 1.00 24.20 C ATOM 169 CG MET A 11 7.886 9.525 -3.860 1.00 53.15 C ATOM 170 SD MET A 11 6.677 10.864 -3.798 1.00 75.01 S ATOM 171 CE MET A 11 5.202 9.976 -3.299 1.00 3.21 C ATOM 0 H MET A 11 10.422 9.264 -3.110 1.00 44.52 H new ATOM 0 HA MET A 11 9.190 7.307 -1.498 1.00 10.45 H new ATOM 0 HB2 MET A 11 7.088 8.372 -2.244 1.00 24.20 H new ATOM 0 HB3 MET A 11 8.285 9.555 -1.758 1.00 24.20 H new ATOM 0 HG2 MET A 11 8.851 9.926 -4.170 1.00 53.15 H new ATOM 0 HG3 MET A 11 7.583 8.802 -4.617 1.00 53.15 H new ATOM 0 HE1 MET A 11 4.323 10.586 -3.506 1.00 3.21 H new ATOM 0 HE2 MET A 11 5.134 9.041 -3.856 1.00 3.21 H new ATOM 0 HE3 MET A 11 5.251 9.760 -2.232 1.00 3.21 H new ATOM 181 N VAL A 12 7.856 5.677 -2.956 1.00 73.51 N ATOM 182 CA VAL A 12 7.559 4.407 -3.633 1.00 62.24 C ATOM 183 C VAL A 12 6.039 4.183 -3.813 1.00 42.01 C ATOM 184 O VAL A 12 5.221 4.818 -3.149 1.00 41.22 O ATOM 185 CB VAL A 12 8.180 3.234 -2.818 1.00 21.13 C ATOM 186 CG1 VAL A 12 7.869 1.878 -3.443 1.00 54.51 C ATOM 187 CG2 VAL A 12 9.694 3.417 -2.673 1.00 42.02 C ATOM 0 H VAL A 12 7.337 5.817 -2.089 1.00 73.51 H new ATOM 0 HA VAL A 12 7.998 4.446 -4.630 1.00 62.24 H new ATOM 0 HB VAL A 12 7.725 3.253 -1.828 1.00 21.13 H new ATOM 0 HG11 VAL A 12 8.321 1.088 -2.843 1.00 54.51 H new ATOM 0 HG12 VAL A 12 6.789 1.733 -3.479 1.00 54.51 H new ATOM 0 HG13 VAL A 12 8.274 1.842 -4.454 1.00 54.51 H new ATOM 0 HG21 VAL A 12 10.108 2.587 -2.101 1.00 42.02 H new ATOM 0 HG22 VAL A 12 10.154 3.441 -3.661 1.00 42.02 H new ATOM 0 HG23 VAL A 12 9.899 4.353 -2.154 1.00 42.02 H new ATOM 197 N VAL A 13 5.670 3.295 -4.737 1.00 21.11 N ATOM 198 CA VAL A 13 4.266 2.913 -4.955 1.00 63.30 C ATOM 199 C VAL A 13 4.104 1.381 -4.919 1.00 33.02 C ATOM 200 O VAL A 13 5.091 0.643 -4.848 1.00 61.30 O ATOM 201 CB VAL A 13 3.733 3.458 -6.309 1.00 13.31 C ATOM 202 CG1 VAL A 13 3.920 4.973 -6.395 1.00 52.24 C ATOM 203 CG2 VAL A 13 4.404 2.761 -7.493 1.00 14.42 C ATOM 0 H VAL A 13 6.329 2.820 -5.354 1.00 21.11 H new ATOM 0 HA VAL A 13 3.682 3.356 -4.148 1.00 63.30 H new ATOM 0 HB VAL A 13 2.666 3.241 -6.357 1.00 13.31 H new ATOM 0 HG11 VAL A 13 3.540 5.333 -7.351 1.00 52.24 H new ATOM 0 HG12 VAL A 13 3.374 5.454 -5.583 1.00 52.24 H new ATOM 0 HG13 VAL A 13 4.980 5.214 -6.312 1.00 52.24 H new ATOM 0 HG21 VAL A 13 4.009 3.165 -8.425 1.00 14.42 H new ATOM 0 HG22 VAL A 13 5.480 2.929 -7.452 1.00 14.42 H new ATOM 0 HG23 VAL A 13 4.202 1.691 -7.447 1.00 14.42 H new ATOM 213 N ILE A 14 2.865 0.897 -4.963 1.00 23.23 N ATOM 214 CA ILE A 14 2.609 -0.548 -4.998 1.00 25.12 C ATOM 215 C ILE A 14 1.616 -0.909 -6.123 1.00 32.33 C ATOM 216 O ILE A 14 0.583 -0.259 -6.294 1.00 13.14 O ATOM 217 CB ILE A 14 2.097 -1.073 -3.627 1.00 51.32 C ATOM 218 CG1 ILE A 14 1.989 -2.605 -3.653 1.00 45.23 C ATOM 219 CG2 ILE A 14 0.756 -0.432 -3.258 1.00 2.13 C ATOM 220 CD1 ILE A 14 1.598 -3.214 -2.325 1.00 72.45 C ATOM 0 H ILE A 14 2.025 1.476 -4.975 1.00 23.23 H new ATOM 0 HA ILE A 14 3.559 -1.039 -5.208 1.00 25.12 H new ATOM 0 HB ILE A 14 2.817 -0.791 -2.859 1.00 51.32 H new ATOM 0 HG12 ILE A 14 1.255 -2.895 -4.405 1.00 45.23 H new ATOM 0 HG13 ILE A 14 2.947 -3.022 -3.965 1.00 45.23 H new ATOM 0 HG21 ILE A 14 0.421 -0.817 -2.295 1.00 2.13 H new ATOM 0 HG22 ILE A 14 0.875 0.650 -3.195 1.00 2.13 H new ATOM 0 HG23 ILE A 14 0.016 -0.672 -4.021 1.00 2.13 H new ATOM 0 HD11 ILE A 14 1.543 -4.298 -2.424 1.00 72.45 H new ATOM 0 HD12 ILE A 14 2.344 -2.956 -1.573 1.00 72.45 H new ATOM 0 HD13 ILE A 14 0.626 -2.827 -2.020 1.00 72.45 H new ATOM 232 N ARG A 15 1.940 -1.947 -6.895 1.00 32.40 N ATOM 233 CA ARG A 15 1.160 -2.306 -8.088 1.00 10.12 C ATOM 234 C ARG A 15 0.445 -3.666 -7.933 1.00 64.25 C ATOM 235 O ARG A 15 0.722 -4.420 -7.001 1.00 11.31 O ATOM 236 CB ARG A 15 2.094 -2.325 -9.311 1.00 70.23 C ATOM 237 CG ARG A 15 1.375 -2.479 -10.648 1.00 32.34 C ATOM 238 CD ARG A 15 2.342 -2.456 -11.827 1.00 21.54 C ATOM 239 NE ARG A 15 3.125 -1.223 -11.870 1.00 22.10 N ATOM 240 CZ ARG A 15 2.931 -0.253 -12.724 1.00 32.12 C ATOM 241 NH1 ARG A 15 1.961 -0.306 -13.580 1.00 4.30 N ATOM 242 NH2 ARG A 15 3.713 0.777 -12.713 1.00 34.22 N ATOM 0 H ARG A 15 2.738 -2.557 -6.718 1.00 32.40 H new ATOM 0 HA ARG A 15 0.380 -1.556 -8.224 1.00 10.12 H new ATOM 0 HB2 ARG A 15 2.672 -1.401 -9.327 1.00 70.23 H new ATOM 0 HB3 ARG A 15 2.805 -3.143 -9.198 1.00 70.23 H new ATOM 0 HG2 ARG A 15 0.819 -3.417 -10.654 1.00 32.34 H new ATOM 0 HG3 ARG A 15 0.647 -1.676 -10.762 1.00 32.34 H new ATOM 0 HD2 ARG A 15 3.015 -3.311 -11.760 1.00 21.54 H new ATOM 0 HD3 ARG A 15 1.783 -2.563 -12.756 1.00 21.54 H new ATOM 0 HE ARG A 15 3.874 -1.112 -11.187 1.00 22.10 H new ATOM 0 HH11 ARG A 15 1.336 -1.112 -13.594 1.00 4.30 H new ATOM 0 HH12 ARG A 15 1.822 0.458 -14.241 1.00 4.30 H new ATOM 0 HH21 ARG A 15 4.477 0.830 -12.040 1.00 34.22 H new ATOM 0 HH22 ARG A 15 3.565 1.536 -13.378 1.00 34.22 H new ATOM 256 N ARG A 16 -0.484 -3.947 -8.862 1.00 13.22 N ATOM 257 CA ARG A 16 -1.248 -5.210 -8.910 1.00 51.52 C ATOM 258 C ARG A 16 -2.360 -5.284 -7.848 1.00 13.34 C ATOM 259 O ARG A 16 -2.938 -6.349 -7.626 1.00 74.15 O ATOM 260 CB ARG A 16 -0.326 -6.441 -8.814 1.00 42.21 C ATOM 261 CG ARG A 16 0.630 -6.595 -9.994 1.00 62.51 C ATOM 262 CD ARG A 16 1.360 -7.934 -9.956 1.00 43.13 C ATOM 263 NE ARG A 16 2.354 -8.055 -11.024 1.00 15.41 N ATOM 264 CZ ARG A 16 2.868 -9.190 -11.423 1.00 64.32 C ATOM 265 NH1 ARG A 16 2.434 -10.310 -10.940 1.00 51.40 N ATOM 266 NH2 ARG A 16 3.798 -9.203 -12.326 1.00 53.33 N ATOM 0 H ARG A 16 -0.730 -3.298 -9.610 1.00 13.22 H new ATOM 0 HA ARG A 16 -1.736 -5.220 -9.884 1.00 51.52 H new ATOM 0 HB2 ARG A 16 0.256 -6.375 -7.895 1.00 42.21 H new ATOM 0 HB3 ARG A 16 -0.941 -7.338 -8.739 1.00 42.21 H new ATOM 0 HG2 ARG A 16 0.073 -6.510 -10.927 1.00 62.51 H new ATOM 0 HG3 ARG A 16 1.357 -5.783 -9.982 1.00 62.51 H new ATOM 0 HD2 ARG A 16 1.852 -8.050 -8.990 1.00 43.13 H new ATOM 0 HD3 ARG A 16 0.635 -8.743 -10.044 1.00 43.13 H new ATOM 0 HE ARG A 16 2.665 -7.201 -11.486 1.00 15.41 H new ATOM 0 HH11 ARG A 16 1.688 -10.310 -10.245 1.00 51.40 H new ATOM 0 HH12 ARG A 16 2.838 -11.192 -11.255 1.00 51.40 H new ATOM 0 HH21 ARG A 16 4.131 -8.327 -12.728 1.00 53.33 H new ATOM 0 HH22 ARG A 16 4.197 -10.090 -12.635 1.00 53.33 H new ATOM 280 N LEU A 17 -2.676 -4.155 -7.216 1.00 24.23 N ATOM 281 CA LEU A 17 -3.813 -4.078 -6.283 1.00 3.21 C ATOM 282 C LEU A 17 -5.152 -4.049 -7.044 1.00 14.42 C ATOM 283 O LEU A 17 -5.460 -3.078 -7.741 1.00 35.21 O ATOM 284 CB LEU A 17 -3.696 -2.837 -5.380 1.00 10.41 C ATOM 285 CG LEU A 17 -2.750 -2.968 -4.172 1.00 35.22 C ATOM 286 CD1 LEU A 17 -3.254 -4.038 -3.206 1.00 33.34 C ATOM 287 CD2 LEU A 17 -1.326 -3.276 -4.618 1.00 71.05 C ATOM 0 H LEU A 17 -2.165 -3.279 -7.329 1.00 24.23 H new ATOM 0 HA LEU A 17 -3.788 -4.971 -5.658 1.00 3.21 H new ATOM 0 HB2 LEU A 17 -3.360 -1.999 -5.990 1.00 10.41 H new ATOM 0 HB3 LEU A 17 -4.691 -2.585 -5.012 1.00 10.41 H new ATOM 0 HG LEU A 17 -2.739 -2.010 -3.651 1.00 35.22 H new ATOM 0 HD11 LEU A 17 -2.571 -4.115 -2.360 1.00 33.34 H new ATOM 0 HD12 LEU A 17 -4.247 -3.766 -2.848 1.00 33.34 H new ATOM 0 HD13 LEU A 17 -3.304 -4.998 -3.720 1.00 33.34 H new ATOM 0 HD21 LEU A 17 -0.681 -3.363 -3.743 1.00 71.05 H new ATOM 0 HD22 LEU A 17 -1.313 -4.214 -5.173 1.00 71.05 H new ATOM 0 HD23 LEU A 17 -0.963 -2.472 -5.258 1.00 71.05 H new ATOM 299 N PRO A 18 -5.957 -5.126 -6.938 1.00 63.22 N ATOM 300 CA PRO A 18 -7.282 -5.209 -7.552 1.00 10.24 C ATOM 301 C PRO A 18 -8.412 -4.880 -6.557 1.00 11.35 C ATOM 302 O PRO A 18 -8.147 -4.631 -5.379 1.00 74.52 O ATOM 303 CB PRO A 18 -7.321 -6.688 -7.955 1.00 63.32 C ATOM 304 CG PRO A 18 -6.548 -7.401 -6.883 1.00 50.15 C ATOM 305 CD PRO A 18 -5.641 -6.376 -6.225 1.00 44.43 C ATOM 0 HA PRO A 18 -7.432 -4.503 -8.369 1.00 10.24 H new ATOM 0 HB2 PRO A 18 -8.346 -7.055 -8.013 1.00 63.32 H new ATOM 0 HB3 PRO A 18 -6.871 -6.842 -8.936 1.00 63.32 H new ATOM 0 HG2 PRO A 18 -7.224 -7.843 -6.151 1.00 50.15 H new ATOM 0 HG3 PRO A 18 -5.962 -8.216 -7.309 1.00 50.15 H new ATOM 0 HD2 PRO A 18 -5.841 -6.290 -5.157 1.00 44.43 H new ATOM 0 HD3 PRO A 18 -4.590 -6.644 -6.332 1.00 44.43 H new ATOM 313 N PRO A 19 -9.688 -4.856 -7.008 1.00 24.24 N ATOM 314 CA PRO A 19 -10.834 -4.731 -6.091 1.00 30.43 C ATOM 315 C PRO A 19 -10.802 -5.796 -4.978 1.00 13.15 C ATOM 316 O PRO A 19 -11.168 -6.955 -5.199 1.00 60.10 O ATOM 317 CB PRO A 19 -12.051 -4.930 -7.008 1.00 41.44 C ATOM 318 CG PRO A 19 -11.573 -4.534 -8.366 1.00 25.04 C ATOM 319 CD PRO A 19 -10.114 -4.916 -8.423 1.00 22.44 C ATOM 0 HA PRO A 19 -10.841 -3.775 -5.567 1.00 30.43 H new ATOM 0 HB2 PRO A 19 -12.391 -5.965 -6.995 1.00 41.44 H new ATOM 0 HB3 PRO A 19 -12.892 -4.314 -6.689 1.00 41.44 H new ATOM 0 HG2 PRO A 19 -12.141 -5.045 -9.144 1.00 25.04 H new ATOM 0 HG3 PRO A 19 -11.703 -3.464 -8.528 1.00 25.04 H new ATOM 0 HD2 PRO A 19 -9.976 -5.913 -8.842 1.00 22.44 H new ATOM 0 HD3 PRO A 19 -9.542 -4.227 -9.044 1.00 22.44 H new ATOM 327 N GLY A 20 -10.327 -5.402 -3.798 1.00 1.04 N ATOM 328 CA GLY A 20 -10.187 -6.339 -2.687 1.00 60.00 C ATOM 329 C GLY A 20 -10.531 -5.727 -1.333 1.00 33.13 C ATOM 330 O GLY A 20 -11.270 -4.746 -1.259 1.00 75.11 O ATOM 0 H GLY A 20 -10.035 -4.448 -3.588 1.00 1.04 H new ATOM 0 HA2 GLY A 20 -10.832 -7.199 -2.863 1.00 60.00 H new ATOM 0 HA3 GLY A 20 -9.162 -6.709 -2.660 1.00 60.00 H new ATOM 334 N LEU A 21 -9.999 -6.316 -0.258 1.00 40.04 N ATOM 335 CA LEU A 21 -10.293 -5.861 1.112 1.00 70.32 C ATOM 336 C LEU A 21 -10.101 -4.340 1.273 1.00 25.03 C ATOM 337 O LEU A 21 -9.189 -3.748 0.695 1.00 53.33 O ATOM 338 CB LEU A 21 -9.433 -6.619 2.147 1.00 65.32 C ATOM 339 CG LEU A 21 -7.917 -6.319 2.149 1.00 12.25 C ATOM 340 CD1 LEU A 21 -7.238 -7.018 3.325 1.00 2.52 C ATOM 341 CD2 LEU A 21 -7.259 -6.734 0.834 1.00 14.54 C ATOM 0 H LEU A 21 -9.361 -7.110 -0.306 1.00 40.04 H new ATOM 0 HA LEU A 21 -11.344 -6.084 1.297 1.00 70.32 H new ATOM 0 HB2 LEU A 21 -9.824 -6.398 3.140 1.00 65.32 H new ATOM 0 HB3 LEU A 21 -9.567 -7.688 1.982 1.00 65.32 H new ATOM 0 HG LEU A 21 -7.794 -5.241 2.256 1.00 12.25 H new ATOM 0 HD11 LEU A 21 -6.171 -6.797 3.313 1.00 2.52 H new ATOM 0 HD12 LEU A 21 -7.671 -6.662 4.260 1.00 2.52 H new ATOM 0 HD13 LEU A 21 -7.387 -8.095 3.243 1.00 2.52 H new ATOM 0 HD21 LEU A 21 -6.193 -6.508 0.873 1.00 14.54 H new ATOM 0 HD22 LEU A 21 -7.397 -7.804 0.680 1.00 14.54 H new ATOM 0 HD23 LEU A 21 -7.716 -6.187 0.010 1.00 14.54 H new ATOM 353 N THR A 22 -10.962 -3.720 2.078 1.00 52.32 N ATOM 354 CA THR A 22 -10.966 -2.262 2.242 1.00 24.13 C ATOM 355 C THR A 22 -9.707 -1.781 2.975 1.00 75.30 C ATOM 356 O THR A 22 -9.112 -2.536 3.746 1.00 41.21 O ATOM 357 CB THR A 22 -12.220 -1.797 3.026 1.00 15.34 C ATOM 358 OG1 THR A 22 -13.406 -2.345 2.431 1.00 14.24 O ATOM 359 CG2 THR A 22 -12.329 -0.276 3.051 1.00 73.34 C ATOM 0 H THR A 22 -11.670 -4.204 2.630 1.00 52.32 H new ATOM 0 HA THR A 22 -10.983 -1.826 1.243 1.00 24.13 H new ATOM 0 HB THR A 22 -12.119 -2.155 4.051 1.00 15.34 H new ATOM 0 HG1 THR A 22 -13.322 -2.324 1.455 1.00 14.24 H new ATOM 0 HG21 THR A 22 -13.219 0.016 3.609 1.00 73.34 H new ATOM 0 HG22 THR A 22 -11.446 0.144 3.532 1.00 73.34 H new ATOM 0 HG23 THR A 22 -12.400 0.100 2.031 1.00 73.34 H new ATOM 367 N LYS A 23 -9.312 -0.522 2.739 1.00 34.51 N ATOM 368 CA LYS A 23 -8.126 0.068 3.387 1.00 12.50 C ATOM 369 C LYS A 23 -8.064 -0.279 4.886 1.00 34.23 C ATOM 370 O LYS A 23 -6.990 -0.509 5.427 1.00 33.12 O ATOM 371 CB LYS A 23 -8.111 1.596 3.189 1.00 52.31 C ATOM 372 CG LYS A 23 -9.226 2.337 3.927 1.00 21.50 C ATOM 373 CD LYS A 23 -9.246 3.832 3.595 1.00 31.31 C ATOM 374 CE LYS A 23 -7.925 4.523 3.940 1.00 72.41 C ATOM 375 NZ LYS A 23 -7.620 4.464 5.393 1.00 1.33 N ATOM 0 H LYS A 23 -9.796 0.111 2.103 1.00 34.51 H new ATOM 0 HA LYS A 23 -7.243 -0.361 2.912 1.00 12.50 H new ATOM 0 HB2 LYS A 23 -7.149 1.985 3.524 1.00 52.31 H new ATOM 0 HB3 LYS A 23 -8.189 1.813 2.124 1.00 52.31 H new ATOM 0 HG2 LYS A 23 -10.188 1.896 3.666 1.00 21.50 H new ATOM 0 HG3 LYS A 23 -9.097 2.207 5.001 1.00 21.50 H new ATOM 0 HD2 LYS A 23 -9.455 3.963 2.533 1.00 31.31 H new ATOM 0 HD3 LYS A 23 -10.058 4.312 4.141 1.00 31.31 H new ATOM 0 HE2 LYS A 23 -7.115 4.053 3.382 1.00 72.41 H new ATOM 0 HE3 LYS A 23 -7.969 5.565 3.622 1.00 72.41 H new ATOM 0 HZ1 LYS A 23 -6.905 5.182 5.627 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 -8.487 4.648 5.937 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 -7.255 3.520 5.633 1.00 1.33 H new ATOM 389 N GLU A 24 -9.235 -0.368 5.523 1.00 22.41 N ATOM 390 CA GLU A 24 -9.351 -0.712 6.951 1.00 25.53 C ATOM 391 C GLU A 24 -8.462 -1.908 7.350 1.00 71.35 C ATOM 392 O GLU A 24 -7.925 -1.945 8.455 1.00 24.33 O ATOM 393 CB GLU A 24 -10.816 -1.023 7.283 1.00 3.22 C ATOM 394 CG GLU A 24 -11.769 0.128 6.973 1.00 31.01 C ATOM 395 CD GLU A 24 -13.230 -0.246 7.170 1.00 75.35 C ATOM 396 OE1 GLU A 24 -13.709 -0.216 8.322 1.00 23.45 O ATOM 397 OE2 GLU A 24 -13.907 -0.566 6.169 1.00 14.43 O ATOM 0 H GLU A 24 -10.132 -0.204 5.067 1.00 22.41 H new ATOM 0 HA GLU A 24 -9.004 0.149 7.522 1.00 25.53 H new ATOM 0 HB2 GLU A 24 -11.128 -1.904 6.722 1.00 3.22 H new ATOM 0 HB3 GLU A 24 -10.895 -1.275 8.341 1.00 3.22 H new ATOM 0 HG2 GLU A 24 -11.527 0.976 7.613 1.00 31.01 H new ATOM 0 HG3 GLU A 24 -11.617 0.452 5.943 1.00 31.01 H new ATOM 404 N GLN A 25 -8.323 -2.891 6.453 1.00 53.23 N ATOM 405 CA GLN A 25 -7.439 -4.048 6.693 1.00 44.32 C ATOM 406 C GLN A 25 -6.402 -4.197 5.574 1.00 51.11 C ATOM 407 O GLN A 25 -5.572 -5.101 5.601 1.00 50.14 O ATOM 408 CB GLN A 25 -8.251 -5.343 6.785 1.00 2.11 C ATOM 409 CG GLN A 25 -9.444 -5.272 7.723 1.00 43.01 C ATOM 410 CD GLN A 25 -10.101 -6.625 7.907 1.00 61.22 C ATOM 411 OE1 GLN A 25 -9.769 -7.374 8.820 1.00 52.34 O ATOM 412 NE2 GLN A 25 -11.017 -6.958 7.025 1.00 44.22 N ATOM 0 H GLN A 25 -8.808 -2.913 5.556 1.00 53.23 H new ATOM 0 HA GLN A 25 -6.925 -3.868 7.637 1.00 44.32 H new ATOM 0 HB2 GLN A 25 -8.604 -5.608 5.788 1.00 2.11 H new ATOM 0 HB3 GLN A 25 -7.593 -6.147 7.114 1.00 2.11 H new ATOM 0 HG2 GLN A 25 -9.122 -4.891 8.692 1.00 43.01 H new ATOM 0 HG3 GLN A 25 -10.174 -4.565 7.329 1.00 43.01 H new ATOM 0 HE21 GLN A 25 -11.267 -6.309 6.279 1.00 44.22 H new ATOM 0 HE22 GLN A 25 -11.478 -7.866 7.086 1.00 44.22 H new ATOM 421 N LEU A 26 -6.486 -3.330 4.577 1.00 0.31 N ATOM 422 CA LEU A 26 -5.563 -3.349 3.439 1.00 33.52 C ATOM 423 C LEU A 26 -4.314 -2.486 3.698 1.00 63.21 C ATOM 424 O LEU A 26 -3.214 -2.826 3.266 1.00 14.11 O ATOM 425 CB LEU A 26 -6.306 -2.876 2.178 1.00 51.32 C ATOM 426 CG LEU A 26 -5.428 -2.430 0.997 1.00 3.54 C ATOM 427 CD1 LEU A 26 -4.607 -3.593 0.444 1.00 3.02 C ATOM 428 CD2 LEU A 26 -6.288 -1.802 -0.096 1.00 24.20 C ATOM 0 H LEU A 26 -7.191 -2.594 4.528 1.00 0.31 H new ATOM 0 HA LEU A 26 -5.213 -4.371 3.294 1.00 33.52 H new ATOM 0 HB2 LEU A 26 -6.952 -3.685 1.838 1.00 51.32 H new ATOM 0 HB3 LEU A 26 -6.955 -2.045 2.455 1.00 51.32 H new ATOM 0 HG LEU A 26 -4.727 -1.679 1.361 1.00 3.54 H new ATOM 0 HD11 LEU A 26 -3.997 -3.244 -0.390 1.00 3.02 H new ATOM 0 HD12 LEU A 26 -3.959 -3.986 1.228 1.00 3.02 H new ATOM 0 HD13 LEU A 26 -5.278 -4.380 0.099 1.00 3.02 H new ATOM 0 HD21 LEU A 26 -5.653 -1.491 -0.925 1.00 24.20 H new ATOM 0 HD22 LEU A 26 -7.016 -2.532 -0.450 1.00 24.20 H new ATOM 0 HD23 LEU A 26 -6.810 -0.934 0.306 1.00 24.20 H new ATOM 440 N GLU A 27 -4.479 -1.377 4.410 1.00 2.02 N ATOM 441 CA GLU A 27 -3.366 -0.455 4.651 1.00 53.03 C ATOM 442 C GLU A 27 -2.361 -1.008 5.675 1.00 25.05 C ATOM 443 O GLU A 27 -1.160 -0.768 5.565 1.00 13.15 O ATOM 444 CB GLU A 27 -3.900 0.909 5.111 1.00 32.34 C ATOM 445 CG GLU A 27 -4.597 0.904 6.467 1.00 74.52 C ATOM 446 CD GLU A 27 -5.346 2.204 6.735 1.00 32.33 C ATOM 447 OE1 GLU A 27 -4.721 3.175 7.214 1.00 41.23 O ATOM 448 OE2 GLU A 27 -6.559 2.270 6.445 1.00 1.04 O ATOM 0 H GLU A 27 -5.364 -1.092 4.829 1.00 2.02 H new ATOM 0 HA GLU A 27 -2.832 -0.337 3.708 1.00 53.03 H new ATOM 0 HB2 GLU A 27 -3.069 1.614 5.149 1.00 32.34 H new ATOM 0 HB3 GLU A 27 -4.599 1.280 4.361 1.00 32.34 H new ATOM 0 HG2 GLU A 27 -5.296 0.069 6.511 1.00 74.52 H new ATOM 0 HG3 GLU A 27 -3.858 0.744 7.252 1.00 74.52 H new ATOM 455 N GLU A 28 -2.851 -1.773 6.651 1.00 34.10 N ATOM 456 CA GLU A 28 -2.011 -2.258 7.758 1.00 52.32 C ATOM 457 C GLU A 28 -0.798 -3.084 7.280 1.00 34.04 C ATOM 458 O GLU A 28 0.244 -3.095 7.938 1.00 61.20 O ATOM 459 CB GLU A 28 -2.857 -3.064 8.762 1.00 52.31 C ATOM 460 CG GLU A 28 -3.623 -4.231 8.155 1.00 43.40 C ATOM 461 CD GLU A 28 -4.377 -5.044 9.196 1.00 41.54 C ATOM 462 OE1 GLU A 28 -5.386 -4.538 9.736 1.00 54.53 O ATOM 463 OE2 GLU A 28 -3.955 -6.180 9.493 1.00 53.13 O ATOM 0 H GLU A 28 -3.825 -2.073 6.702 1.00 34.10 H new ATOM 0 HA GLU A 28 -1.607 -1.376 8.254 1.00 52.32 H new ATOM 0 HB2 GLU A 28 -2.202 -3.445 9.545 1.00 52.31 H new ATOM 0 HB3 GLU A 28 -3.568 -2.390 9.241 1.00 52.31 H new ATOM 0 HG2 GLU A 28 -4.328 -3.852 7.416 1.00 43.40 H new ATOM 0 HG3 GLU A 28 -2.926 -4.882 7.627 1.00 43.40 H new ATOM 470 N GLN A 29 -0.922 -3.762 6.139 1.00 1.10 N ATOM 471 CA GLN A 29 0.200 -4.539 5.581 1.00 1.45 C ATOM 472 C GLN A 29 0.975 -3.736 4.523 1.00 64.03 C ATOM 473 O GLN A 29 2.041 -4.153 4.075 1.00 72.02 O ATOM 474 CB GLN A 29 -0.269 -5.886 4.982 1.00 31.13 C ATOM 475 CG GLN A 29 -1.284 -5.780 3.838 1.00 43.40 C ATOM 476 CD GLN A 29 -2.719 -5.650 4.323 1.00 63.00 C ATOM 477 OE1 GLN A 29 -2.983 -5.095 5.375 1.00 50.03 O ATOM 478 NE2 GLN A 29 -3.661 -6.167 3.560 1.00 20.12 N ATOM 0 H GLN A 29 -1.777 -3.793 5.583 1.00 1.10 H new ATOM 0 HA GLN A 29 0.870 -4.752 6.414 1.00 1.45 H new ATOM 0 HB2 GLN A 29 0.605 -6.427 4.620 1.00 31.13 H new ATOM 0 HB3 GLN A 29 -0.708 -6.486 5.780 1.00 31.13 H new ATOM 0 HG2 GLN A 29 -1.036 -4.917 3.220 1.00 43.40 H new ATOM 0 HG3 GLN A 29 -1.200 -6.662 3.203 1.00 43.40 H new ATOM 0 HE21 GLN A 29 -3.413 -6.626 2.684 1.00 20.12 H new ATOM 0 HE22 GLN A 29 -4.638 -6.108 3.846 1.00 20.12 H new ATOM 487 N LEU A 30 0.439 -2.580 4.127 1.00 73.22 N ATOM 488 CA LEU A 30 1.110 -1.707 3.150 1.00 41.52 C ATOM 489 C LEU A 30 1.907 -0.586 3.843 1.00 13.21 C ATOM 490 O LEU A 30 2.642 0.159 3.195 1.00 30.10 O ATOM 491 CB LEU A 30 0.079 -1.107 2.187 1.00 65.44 C ATOM 492 CG LEU A 30 -0.781 -2.125 1.419 1.00 30.33 C ATOM 493 CD1 LEU A 30 -1.632 -1.425 0.363 1.00 11.23 C ATOM 494 CD2 LEU A 30 0.087 -3.209 0.787 1.00 12.24 C ATOM 0 H LEU A 30 -0.455 -2.223 4.464 1.00 73.22 H new ATOM 0 HA LEU A 30 1.817 -2.316 2.588 1.00 41.52 H new ATOM 0 HB2 LEU A 30 -0.583 -0.452 2.753 1.00 65.44 H new ATOM 0 HB3 LEU A 30 0.603 -0.482 1.464 1.00 65.44 H new ATOM 0 HG LEU A 30 -1.451 -2.606 2.132 1.00 30.33 H new ATOM 0 HD11 LEU A 30 -2.232 -2.163 -0.168 1.00 11.23 H new ATOM 0 HD12 LEU A 30 -2.290 -0.702 0.846 1.00 11.23 H new ATOM 0 HD13 LEU A 30 -0.983 -0.909 -0.344 1.00 11.23 H new ATOM 0 HD21 LEU A 30 -0.546 -3.915 0.250 1.00 12.24 H new ATOM 0 HD22 LEU A 30 0.791 -2.752 0.092 1.00 12.24 H new ATOM 0 HD23 LEU A 30 0.637 -3.735 1.567 1.00 12.24 H new ATOM 506 N ARG A 31 1.756 -0.472 5.166 1.00 2.21 N ATOM 507 CA ARG A 31 2.531 0.499 5.962 1.00 31.44 C ATOM 508 C ARG A 31 3.131 -0.124 7.250 1.00 72.23 C ATOM 509 O ARG A 31 3.162 0.524 8.295 1.00 60.02 O ATOM 510 CB ARG A 31 1.650 1.722 6.316 1.00 34.22 C ATOM 511 CG ARG A 31 0.265 1.373 6.885 1.00 43.42 C ATOM 512 CD ARG A 31 0.047 1.884 8.312 1.00 3.14 C ATOM 513 NE ARG A 31 0.890 1.191 9.284 1.00 52.50 N ATOM 514 CZ ARG A 31 0.451 0.335 10.169 1.00 2.43 C ATOM 515 NH1 ARG A 31 -0.818 0.097 10.291 1.00 61.35 N ATOM 516 NH2 ARG A 31 1.292 -0.272 10.942 1.00 33.41 N ATOM 0 H ARG A 31 1.106 -1.037 5.713 1.00 2.21 H new ATOM 0 HA ARG A 31 3.371 0.819 5.345 1.00 31.44 H new ATOM 0 HB2 ARG A 31 2.181 2.337 7.042 1.00 34.22 H new ATOM 0 HB3 ARG A 31 1.517 2.329 5.420 1.00 34.22 H new ATOM 0 HG2 ARG A 31 -0.503 1.793 6.235 1.00 43.42 H new ATOM 0 HG3 ARG A 31 0.137 0.291 6.871 1.00 43.42 H new ATOM 0 HD2 ARG A 31 0.257 2.953 8.349 1.00 3.14 H new ATOM 0 HD3 ARG A 31 -1.000 1.755 8.586 1.00 3.14 H new ATOM 0 HE ARG A 31 1.891 1.389 9.271 1.00 52.50 H new ATOM 0 HH11 ARG A 31 -1.487 0.580 9.692 1.00 61.35 H new ATOM 0 HH12 ARG A 31 -1.147 -0.574 10.986 1.00 61.35 H new ATOM 0 HH21 ARG A 31 2.291 -0.081 10.859 1.00 33.41 H new ATOM 0 HH22 ARG A 31 0.957 -0.941 11.635 1.00 33.41 H new ATOM 530 N PRO A 32 3.696 -1.355 7.194 1.00 53.01 N ATOM 531 CA PRO A 32 4.229 -2.034 8.392 1.00 64.41 C ATOM 532 C PRO A 32 5.633 -1.536 8.784 1.00 35.34 C ATOM 533 O PRO A 32 6.440 -2.284 9.341 1.00 20.23 O ATOM 534 CB PRO A 32 4.278 -3.496 7.941 1.00 5.30 C ATOM 535 CG PRO A 32 4.600 -3.411 6.488 1.00 73.33 C ATOM 536 CD PRO A 32 3.901 -2.174 5.976 1.00 61.42 C ATOM 0 HA PRO A 32 3.622 -1.855 9.279 1.00 64.41 H new ATOM 0 HB2 PRO A 32 5.037 -4.057 8.486 1.00 5.30 H new ATOM 0 HB3 PRO A 32 3.326 -3.999 8.111 1.00 5.30 H new ATOM 0 HG2 PRO A 32 5.676 -3.344 6.331 1.00 73.33 H new ATOM 0 HG3 PRO A 32 4.256 -4.300 5.960 1.00 73.33 H new ATOM 0 HD2 PRO A 32 4.507 -1.649 5.238 1.00 61.42 H new ATOM 0 HD3 PRO A 32 2.954 -2.420 5.495 1.00 61.42 H new ATOM 544 N LEU A 33 5.908 -0.265 8.501 1.00 12.34 N ATOM 545 CA LEU A 33 7.215 0.336 8.776 1.00 31.21 C ATOM 546 C LEU A 33 7.355 0.715 10.260 1.00 64.13 C ATOM 547 O LEU A 33 6.383 1.125 10.894 1.00 74.23 O ATOM 548 CB LEU A 33 7.430 1.583 7.896 1.00 51.00 C ATOM 549 CG LEU A 33 7.644 1.321 6.392 1.00 33.40 C ATOM 550 CD1 LEU A 33 6.398 0.729 5.737 1.00 43.33 C ATOM 551 CD2 LEU A 33 8.064 2.604 5.679 1.00 21.24 C ATOM 0 H LEU A 33 5.237 0.376 8.077 1.00 12.34 H new ATOM 0 HA LEU A 33 7.977 -0.407 8.539 1.00 31.21 H new ATOM 0 HB2 LEU A 33 6.566 2.238 8.011 1.00 51.00 H new ATOM 0 HB3 LEU A 33 8.295 2.127 8.276 1.00 51.00 H new ATOM 0 HG LEU A 33 8.445 0.587 6.298 1.00 33.40 H new ATOM 0 HD11 LEU A 33 6.590 0.559 4.678 1.00 43.33 H new ATOM 0 HD12 LEU A 33 6.149 -0.217 6.217 1.00 43.33 H new ATOM 0 HD13 LEU A 33 5.564 1.422 5.848 1.00 43.33 H new ATOM 0 HD21 LEU A 33 8.210 2.400 4.618 1.00 21.24 H new ATOM 0 HD22 LEU A 33 7.286 3.358 5.799 1.00 21.24 H new ATOM 0 HD23 LEU A 33 8.995 2.971 6.110 1.00 21.24 H new ATOM 563 N PRO A 34 8.580 0.599 10.825 1.00 71.43 N ATOM 564 CA PRO A 34 8.854 0.900 12.248 1.00 52.45 C ATOM 565 C PRO A 34 8.275 2.254 12.707 1.00 13.05 C ATOM 566 O PRO A 34 7.607 2.339 13.743 1.00 31.34 O ATOM 567 CB PRO A 34 10.400 0.909 12.327 1.00 64.33 C ATOM 568 CG PRO A 34 10.880 0.849 10.906 1.00 21.43 C ATOM 569 CD PRO A 34 9.800 0.156 10.133 1.00 2.22 C ATOM 0 HA PRO A 34 8.383 0.170 12.906 1.00 52.45 H new ATOM 0 HB2 PRO A 34 10.761 1.809 12.825 1.00 64.33 H new ATOM 0 HB3 PRO A 34 10.768 0.058 12.901 1.00 64.33 H new ATOM 0 HG2 PRO A 34 11.060 1.849 10.513 1.00 21.43 H new ATOM 0 HG3 PRO A 34 11.821 0.304 10.835 1.00 21.43 H new ATOM 0 HD2 PRO A 34 9.800 0.449 9.083 1.00 2.22 H new ATOM 0 HD3 PRO A 34 9.912 -0.928 10.161 1.00 2.22 H new ATOM 577 N ALA A 35 8.549 3.311 11.937 1.00 61.15 N ATOM 578 CA ALA A 35 7.994 4.647 12.212 1.00 75.23 C ATOM 579 C ALA A 35 8.219 5.606 11.031 1.00 11.24 C ATOM 580 O ALA A 35 9.222 6.319 10.981 1.00 73.34 O ATOM 581 CB ALA A 35 8.595 5.232 13.487 1.00 35.04 C ATOM 0 H ALA A 35 9.153 3.271 11.116 1.00 61.15 H new ATOM 0 HA ALA A 35 6.919 4.530 12.352 1.00 75.23 H new ATOM 0 HB1 ALA A 35 8.170 6.219 13.670 1.00 35.04 H new ATOM 0 HB2 ALA A 35 8.369 4.578 14.329 1.00 35.04 H new ATOM 0 HB3 ALA A 35 9.676 5.317 13.374 1.00 35.04 H new ATOM 587 N HIS A 36 7.300 5.604 10.065 1.00 42.21 N ATOM 588 CA HIS A 36 7.405 6.480 8.886 1.00 33.45 C ATOM 589 C HIS A 36 6.011 6.899 8.387 1.00 41.34 C ATOM 590 O HIS A 36 5.020 6.747 9.100 1.00 30.24 O ATOM 591 CB HIS A 36 8.198 5.787 7.761 1.00 33.43 C ATOM 592 CG HIS A 36 9.556 5.304 8.188 1.00 5.53 C ATOM 593 ND1 HIS A 36 10.625 6.145 8.433 1.00 44.20 N ATOM 594 CD2 HIS A 36 10.005 4.055 8.444 1.00 22.33 C ATOM 595 CE1 HIS A 36 11.663 5.429 8.818 1.00 23.14 C ATOM 596 NE2 HIS A 36 11.313 4.162 8.832 1.00 13.14 N ATOM 0 H HIS A 36 6.473 5.007 10.071 1.00 42.21 H new ATOM 0 HA HIS A 36 7.944 7.380 9.182 1.00 33.45 H new ATOM 0 HB2 HIS A 36 7.621 4.940 7.390 1.00 33.43 H new ATOM 0 HB3 HIS A 36 8.314 6.482 6.929 1.00 33.43 H new ATOM 0 HD2 HIS A 36 9.436 3.141 8.358 1.00 22.33 H new ATOM 0 HE1 HIS A 36 12.636 5.818 9.078 1.00 23.14 H new ATOM 0 HE2 HIS A 36 11.919 3.383 9.091 1.00 13.14 H new ATOM 605 N ASP A 37 5.945 7.420 7.164 1.00 71.31 N ATOM 606 CA ASP A 37 4.703 7.991 6.627 1.00 4.35 C ATOM 607 C ASP A 37 3.788 6.927 5.987 1.00 41.05 C ATOM 608 O ASP A 37 4.220 5.818 5.667 1.00 21.11 O ATOM 609 CB ASP A 37 5.049 9.071 5.594 1.00 11.22 C ATOM 610 CG ASP A 37 3.850 9.912 5.193 1.00 13.03 C ATOM 611 OD1 ASP A 37 3.401 10.740 6.009 1.00 45.32 O ATOM 612 OD2 ASP A 37 3.362 9.760 4.059 1.00 41.34 O ATOM 0 H ASP A 37 6.736 7.461 6.522 1.00 71.31 H new ATOM 0 HA ASP A 37 4.151 8.424 7.461 1.00 4.35 H new ATOM 0 HB2 ASP A 37 5.823 9.722 6.002 1.00 11.22 H new ATOM 0 HB3 ASP A 37 5.467 8.597 4.706 1.00 11.22 H new ATOM 617 N TYR A 38 2.521 7.291 5.807 1.00 43.24 N ATOM 618 CA TYR A 38 1.534 6.444 5.132 1.00 12.42 C ATOM 619 C TYR A 38 0.628 7.306 4.237 1.00 62.22 C ATOM 620 O TYR A 38 0.121 8.343 4.668 1.00 32.45 O ATOM 621 CB TYR A 38 0.695 5.666 6.162 1.00 65.22 C ATOM 622 CG TYR A 38 -0.010 6.550 7.180 1.00 4.43 C ATOM 623 CD1 TYR A 38 0.674 7.063 8.280 1.00 33.01 C ATOM 624 CD2 TYR A 38 -1.355 6.879 7.034 1.00 53.14 C ATOM 625 CE1 TYR A 38 0.039 7.875 9.200 1.00 65.44 C ATOM 626 CE2 TYR A 38 -1.996 7.692 7.949 1.00 35.32 C ATOM 627 CZ TYR A 38 -1.295 8.188 9.031 1.00 3.35 C ATOM 628 OH TYR A 38 -1.931 9.002 9.943 1.00 24.32 O ATOM 0 H TYR A 38 2.146 8.184 6.125 1.00 43.24 H new ATOM 0 HA TYR A 38 2.059 5.722 4.507 1.00 12.42 H new ATOM 0 HB2 TYR A 38 -0.051 5.072 5.634 1.00 65.22 H new ATOM 0 HB3 TYR A 38 1.344 4.967 6.690 1.00 65.22 H new ATOM 0 HD1 TYR A 38 1.718 6.822 8.416 1.00 33.01 H new ATOM 0 HD2 TYR A 38 -1.907 6.492 6.190 1.00 53.14 H new ATOM 0 HE1 TYR A 38 0.584 8.263 10.048 1.00 65.44 H new ATOM 0 HE2 TYR A 38 -3.039 7.938 7.819 1.00 35.32 H new ATOM 0 HH TYR A 38 -2.866 9.124 9.676 1.00 24.32 H new ATOM 638 N PHE A 39 0.437 6.893 2.990 1.00 74.35 N ATOM 639 CA PHE A 39 -0.347 7.684 2.033 1.00 62.02 C ATOM 640 C PHE A 39 -1.844 7.328 2.122 1.00 62.44 C ATOM 641 O PHE A 39 -2.234 6.434 2.871 1.00 12.40 O ATOM 642 CB PHE A 39 0.188 7.446 0.610 1.00 41.41 C ATOM 643 CG PHE A 39 0.056 8.639 -0.308 1.00 35.03 C ATOM 644 CD1 PHE A 39 0.975 9.678 -0.240 1.00 11.21 C ATOM 645 CD2 PHE A 39 -0.974 8.722 -1.235 1.00 63.13 C ATOM 646 CE1 PHE A 39 0.867 10.775 -1.074 1.00 30.01 C ATOM 647 CE2 PHE A 39 -1.085 9.818 -2.072 1.00 5.21 C ATOM 648 CZ PHE A 39 -0.163 10.844 -1.991 1.00 70.41 C ATOM 0 H PHE A 39 0.809 6.021 2.614 1.00 74.35 H new ATOM 0 HA PHE A 39 -0.244 8.741 2.279 1.00 62.02 H new ATOM 0 HB2 PHE A 39 1.239 7.163 0.671 1.00 41.41 H new ATOM 0 HB3 PHE A 39 -0.344 6.602 0.170 1.00 41.41 H new ATOM 0 HD1 PHE A 39 1.784 9.628 0.473 1.00 11.21 H new ATOM 0 HD2 PHE A 39 -1.697 7.922 -1.304 1.00 63.13 H new ATOM 0 HE1 PHE A 39 1.587 11.577 -1.008 1.00 30.01 H new ATOM 0 HE2 PHE A 39 -1.892 9.872 -2.788 1.00 5.21 H new ATOM 0 HZ PHE A 39 -0.248 11.700 -2.645 1.00 70.41 H new ATOM 658 N GLU A 40 -2.685 8.037 1.372 1.00 21.15 N ATOM 659 CA GLU A 40 -4.122 7.739 1.347 1.00 21.01 C ATOM 660 C GLU A 40 -4.409 6.433 0.583 1.00 33.44 C ATOM 661 O GLU A 40 -4.362 6.386 -0.645 1.00 20.31 O ATOM 662 CB GLU A 40 -4.912 8.917 0.736 1.00 51.44 C ATOM 663 CG GLU A 40 -4.426 9.358 -0.646 1.00 1.30 C ATOM 664 CD GLU A 40 -5.231 10.519 -1.213 1.00 64.53 C ATOM 665 OE1 GLU A 40 -5.055 11.661 -0.734 1.00 10.21 O ATOM 666 OE2 GLU A 40 -6.037 10.301 -2.143 1.00 14.32 O ATOM 0 H GLU A 40 -2.403 8.816 0.777 1.00 21.15 H new ATOM 0 HA GLU A 40 -4.453 7.600 2.376 1.00 21.01 H new ATOM 0 HB2 GLU A 40 -5.963 8.635 0.665 1.00 51.44 H new ATOM 0 HB3 GLU A 40 -4.855 9.767 1.416 1.00 51.44 H new ATOM 0 HG2 GLU A 40 -3.377 9.647 -0.582 1.00 1.30 H new ATOM 0 HG3 GLU A 40 -4.483 8.513 -1.332 1.00 1.30 H new ATOM 673 N PHE A 41 -4.673 5.362 1.326 1.00 12.52 N ATOM 674 CA PHE A 41 -5.013 4.068 0.725 1.00 52.30 C ATOM 675 C PHE A 41 -6.467 4.056 0.230 1.00 42.42 C ATOM 676 O PHE A 41 -7.370 4.540 0.915 1.00 11.43 O ATOM 677 CB PHE A 41 -4.785 2.936 1.739 1.00 34.41 C ATOM 678 CG PHE A 41 -3.366 2.867 2.251 1.00 73.44 C ATOM 679 CD1 PHE A 41 -2.975 3.615 3.352 1.00 43.01 C ATOM 680 CD2 PHE A 41 -2.424 2.063 1.626 1.00 1.12 C ATOM 681 CE1 PHE A 41 -1.675 3.562 3.820 1.00 24.34 C ATOM 682 CE2 PHE A 41 -1.123 2.011 2.090 1.00 23.40 C ATOM 683 CZ PHE A 41 -0.748 2.759 3.189 1.00 34.45 C ATOM 0 H PHE A 41 -4.659 5.361 2.346 1.00 12.52 H new ATOM 0 HA PHE A 41 -4.362 3.910 -0.134 1.00 52.30 H new ATOM 0 HB2 PHE A 41 -5.462 3.072 2.583 1.00 34.41 H new ATOM 0 HB3 PHE A 41 -5.042 1.984 1.274 1.00 34.41 H new ATOM 0 HD1 PHE A 41 -3.695 4.247 3.850 1.00 43.01 H new ATOM 0 HD2 PHE A 41 -2.710 1.472 0.769 1.00 1.12 H new ATOM 0 HE1 PHE A 41 -1.386 4.149 4.679 1.00 24.34 H new ATOM 0 HE2 PHE A 41 -0.398 1.384 1.592 1.00 23.40 H new ATOM 0 HZ PHE A 41 0.268 2.715 3.553 1.00 34.45 H new ATOM 693 N PHE A 42 -6.688 3.502 -0.959 1.00 53.52 N ATOM 694 CA PHE A 42 -8.019 3.494 -1.576 1.00 43.42 C ATOM 695 C PHE A 42 -9.033 2.660 -0.774 1.00 22.34 C ATOM 696 O PHE A 42 -8.670 1.705 -0.081 1.00 5.20 O ATOM 697 CB PHE A 42 -7.935 2.978 -3.024 1.00 65.52 C ATOM 698 CG PHE A 42 -7.530 1.524 -3.160 1.00 14.44 C ATOM 699 CD1 PHE A 42 -6.194 1.144 -3.082 1.00 60.14 C ATOM 700 CD2 PHE A 42 -8.486 0.539 -3.384 1.00 21.13 C ATOM 701 CE1 PHE A 42 -5.826 -0.182 -3.220 1.00 44.45 C ATOM 702 CE2 PHE A 42 -8.119 -0.786 -3.526 1.00 44.34 C ATOM 703 CZ PHE A 42 -6.788 -1.148 -3.445 1.00 63.14 C ATOM 0 H PHE A 42 -5.964 3.051 -1.518 1.00 53.52 H new ATOM 0 HA PHE A 42 -8.377 4.524 -1.578 1.00 43.42 H new ATOM 0 HB2 PHE A 42 -8.906 3.116 -3.500 1.00 65.52 H new ATOM 0 HB3 PHE A 42 -7.221 3.592 -3.572 1.00 65.52 H new ATOM 0 HD1 PHE A 42 -5.435 1.893 -2.912 1.00 60.14 H new ATOM 0 HD2 PHE A 42 -9.529 0.813 -3.448 1.00 21.13 H new ATOM 0 HE1 PHE A 42 -4.785 -0.463 -3.152 1.00 44.45 H new ATOM 0 HE2 PHE A 42 -8.873 -1.539 -3.700 1.00 44.34 H new ATOM 0 HZ PHE A 42 -6.500 -2.183 -3.557 1.00 63.14 H new ATOM 713 N ALA A 43 -10.304 3.032 -0.878 1.00 43.53 N ATOM 714 CA ALA A 43 -11.389 2.311 -0.209 1.00 12.25 C ATOM 715 C ALA A 43 -12.256 1.567 -1.233 1.00 53.32 C ATOM 716 O ALA A 43 -12.896 2.187 -2.084 1.00 4.42 O ATOM 717 CB ALA A 43 -12.240 3.279 0.605 1.00 32.50 C ATOM 0 H ALA A 43 -10.614 3.836 -1.424 1.00 43.53 H new ATOM 0 HA ALA A 43 -10.951 1.576 0.466 1.00 12.25 H new ATOM 0 HB1 ALA A 43 -13.043 2.731 1.098 1.00 32.50 H new ATOM 0 HB2 ALA A 43 -11.619 3.766 1.357 1.00 32.50 H new ATOM 0 HB3 ALA A 43 -12.667 4.033 -0.056 1.00 32.50 H new ATOM 723 N ALA A 44 -12.267 0.240 -1.150 1.00 13.12 N ATOM 724 CA ALA A 44 -13.006 -0.589 -2.104 1.00 71.33 C ATOM 725 C ALA A 44 -13.600 -1.832 -1.429 1.00 44.25 C ATOM 726 O ALA A 44 -13.123 -2.270 -0.379 1.00 64.14 O ATOM 727 CB ALA A 44 -12.090 -1.001 -3.255 1.00 72.41 C ATOM 0 H ALA A 44 -11.772 -0.288 -0.431 1.00 13.12 H new ATOM 0 HA ALA A 44 -13.833 0.004 -2.494 1.00 71.33 H new ATOM 0 HB1 ALA A 44 -12.647 -1.618 -3.961 1.00 72.41 H new ATOM 0 HB2 ALA A 44 -11.722 -0.110 -3.764 1.00 72.41 H new ATOM 0 HB3 ALA A 44 -11.247 -1.570 -2.863 1.00 72.41 H new ATOM 733 N ASP A 45 -14.658 -2.378 -2.024 1.00 21.54 N ATOM 734 CA ASP A 45 -15.251 -3.631 -1.556 1.00 33.12 C ATOM 735 C ASP A 45 -14.384 -4.829 -1.974 1.00 15.22 C ATOM 736 O ASP A 45 -13.702 -4.789 -2.998 1.00 61.42 O ATOM 737 CB ASP A 45 -16.671 -3.792 -2.120 1.00 21.51 C ATOM 738 CG ASP A 45 -17.426 -4.945 -1.477 1.00 10.31 C ATOM 739 OD1 ASP A 45 -17.282 -6.097 -1.938 1.00 4.51 O ATOM 740 OD2 ASP A 45 -18.163 -4.703 -0.497 1.00 73.04 O ATOM 0 H ASP A 45 -15.125 -1.971 -2.835 1.00 21.54 H new ATOM 0 HA ASP A 45 -15.302 -3.599 -0.468 1.00 33.12 H new ATOM 0 HB2 ASP A 45 -17.227 -2.867 -1.966 1.00 21.51 H new ATOM 0 HB3 ASP A 45 -16.615 -3.954 -3.196 1.00 21.51 H new ATOM 745 N LEU A 46 -14.445 -5.900 -1.191 1.00 30.13 N ATOM 746 CA LEU A 46 -13.603 -7.080 -1.422 1.00 74.22 C ATOM 747 C LEU A 46 -14.219 -8.052 -2.444 1.00 4.13 C ATOM 748 O LEU A 46 -13.809 -9.210 -2.534 1.00 72.44 O ATOM 749 CB LEU A 46 -13.281 -7.800 -0.093 1.00 42.23 C ATOM 750 CG LEU A 46 -14.467 -8.384 0.707 1.00 30.21 C ATOM 751 CD1 LEU A 46 -13.949 -9.239 1.861 1.00 62.22 C ATOM 752 CD2 LEU A 46 -15.377 -7.284 1.256 1.00 24.25 C ATOM 0 H LEU A 46 -15.068 -5.981 -0.388 1.00 30.13 H new ATOM 0 HA LEU A 46 -12.668 -6.722 -1.853 1.00 74.22 H new ATOM 0 HB2 LEU A 46 -12.589 -8.613 -0.310 1.00 42.23 H new ATOM 0 HB3 LEU A 46 -12.754 -7.097 0.552 1.00 42.23 H new ATOM 0 HG LEU A 46 -15.053 -8.999 0.024 1.00 30.21 H new ATOM 0 HD11 LEU A 46 -14.792 -9.646 2.419 1.00 62.22 H new ATOM 0 HD12 LEU A 46 -13.346 -10.057 1.466 1.00 62.22 H new ATOM 0 HD13 LEU A 46 -13.338 -8.625 2.523 1.00 62.22 H new ATOM 0 HD21 LEU A 46 -16.199 -7.735 1.812 1.00 24.25 H new ATOM 0 HD22 LEU A 46 -14.804 -6.635 1.918 1.00 24.25 H new ATOM 0 HD23 LEU A 46 -15.778 -6.697 0.430 1.00 24.25 H new ATOM 764 N SER A 47 -15.202 -7.568 -3.212 1.00 71.50 N ATOM 765 CA SER A 47 -15.765 -8.320 -4.348 1.00 11.34 C ATOM 766 C SER A 47 -16.852 -7.503 -5.076 1.00 23.21 C ATOM 767 O SER A 47 -16.540 -6.719 -5.972 1.00 14.22 O ATOM 768 CB SER A 47 -16.330 -9.682 -3.897 1.00 63.42 C ATOM 769 OG SER A 47 -17.340 -9.530 -2.905 1.00 51.20 O ATOM 0 H SER A 47 -15.629 -6.653 -3.069 1.00 71.50 H new ATOM 0 HA SER A 47 -14.950 -8.505 -5.047 1.00 11.34 H new ATOM 0 HB2 SER A 47 -16.742 -10.208 -4.758 1.00 63.42 H new ATOM 0 HB3 SER A 47 -15.522 -10.299 -3.503 1.00 63.42 H new ATOM 0 HG SER A 47 -17.677 -10.412 -2.643 1.00 51.20 H new ATOM 775 N LEU A 48 -18.115 -7.691 -4.674 1.00 60.15 N ATOM 776 CA LEU A 48 -19.277 -6.980 -5.241 1.00 13.30 C ATOM 777 C LEU A 48 -19.168 -6.745 -6.770 1.00 24.22 C ATOM 778 O LEU A 48 -19.581 -7.591 -7.565 1.00 33.53 O ATOM 779 CB LEU A 48 -19.506 -5.659 -4.489 1.00 42.34 C ATOM 780 CG LEU A 48 -20.862 -4.976 -4.738 1.00 11.22 C ATOM 781 CD1 LEU A 48 -22.018 -5.904 -4.364 1.00 51.13 C ATOM 782 CD2 LEU A 48 -20.952 -3.665 -3.962 1.00 1.01 C ATOM 0 H LEU A 48 -18.366 -8.349 -3.936 1.00 60.15 H new ATOM 0 HA LEU A 48 -20.144 -7.627 -5.103 1.00 13.30 H new ATOM 0 HB2 LEU A 48 -19.406 -5.849 -3.420 1.00 42.34 H new ATOM 0 HB3 LEU A 48 -18.713 -4.963 -4.765 1.00 42.34 H new ATOM 0 HG LEU A 48 -20.939 -4.753 -5.802 1.00 11.22 H new ATOM 0 HD11 LEU A 48 -22.965 -5.398 -4.549 1.00 51.13 H new ATOM 0 HD12 LEU A 48 -21.967 -6.810 -4.967 1.00 51.13 H new ATOM 0 HD13 LEU A 48 -21.947 -6.166 -3.308 1.00 51.13 H new ATOM 0 HD21 LEU A 48 -21.918 -3.196 -4.150 1.00 1.01 H new ATOM 0 HD22 LEU A 48 -20.848 -3.865 -2.896 1.00 1.01 H new ATOM 0 HD23 LEU A 48 -20.155 -2.996 -4.285 1.00 1.01 H new ATOM 794 N TYR A 49 -18.593 -5.608 -7.179 1.00 45.52 N ATOM 795 CA TYR A 49 -18.441 -5.275 -8.607 1.00 63.12 C ATOM 796 C TYR A 49 -17.025 -4.753 -8.915 1.00 63.22 C ATOM 797 O TYR A 49 -16.509 -3.886 -8.209 1.00 53.12 O ATOM 798 CB TYR A 49 -19.495 -4.242 -9.037 1.00 10.12 C ATOM 799 CG TYR A 49 -20.909 -4.797 -9.046 1.00 41.31 C ATOM 800 CD1 TYR A 49 -21.321 -5.675 -10.046 1.00 44.43 C ATOM 801 CD2 TYR A 49 -21.821 -4.469 -8.048 1.00 1.32 C ATOM 802 CE1 TYR A 49 -22.597 -6.203 -10.052 1.00 40.20 C ATOM 803 CE2 TYR A 49 -23.098 -5.000 -8.046 1.00 20.53 C ATOM 804 CZ TYR A 49 -23.481 -5.865 -9.050 1.00 41.40 C ATOM 805 OH TYR A 49 -24.748 -6.403 -9.049 1.00 53.43 O ATOM 0 H TYR A 49 -18.224 -4.900 -6.544 1.00 45.52 H new ATOM 0 HA TYR A 49 -18.593 -6.191 -9.178 1.00 63.12 H new ATOM 0 HB2 TYR A 49 -19.452 -3.387 -8.363 1.00 10.12 H new ATOM 0 HB3 TYR A 49 -19.249 -3.875 -10.034 1.00 10.12 H new ATOM 0 HD1 TYR A 49 -20.630 -5.948 -10.830 1.00 44.43 H new ATOM 0 HD2 TYR A 49 -21.527 -3.789 -7.262 1.00 1.32 H new ATOM 0 HE1 TYR A 49 -22.901 -6.878 -10.838 1.00 40.20 H new ATOM 0 HE2 TYR A 49 -23.793 -4.738 -7.261 1.00 20.53 H new ATOM 0 HH TYR A 49 -25.246 -6.065 -8.276 1.00 53.43 H new ATOM 815 N PRO A 50 -16.397 -5.249 -10.002 1.00 51.14 N ATOM 816 CA PRO A 50 -14.987 -4.940 -10.326 1.00 34.44 C ATOM 817 C PRO A 50 -14.761 -3.537 -10.926 1.00 54.42 C ATOM 818 O PRO A 50 -13.720 -3.283 -11.529 1.00 34.55 O ATOM 819 CB PRO A 50 -14.636 -6.026 -11.351 1.00 73.32 C ATOM 820 CG PRO A 50 -15.923 -6.313 -12.047 1.00 3.42 C ATOM 821 CD PRO A 50 -17.006 -6.150 -11.008 1.00 72.24 C ATOM 0 HA PRO A 50 -14.368 -4.932 -9.429 1.00 34.44 H new ATOM 0 HB2 PRO A 50 -13.875 -5.680 -12.051 1.00 73.32 H new ATOM 0 HB3 PRO A 50 -14.240 -6.918 -10.865 1.00 73.32 H new ATOM 0 HG2 PRO A 50 -16.076 -5.628 -12.881 1.00 3.42 H new ATOM 0 HG3 PRO A 50 -15.927 -7.322 -12.459 1.00 3.42 H new ATOM 0 HD2 PRO A 50 -17.910 -5.718 -11.437 1.00 72.24 H new ATOM 0 HD3 PRO A 50 -17.287 -7.107 -10.570 1.00 72.24 H new ATOM 829 N HIS A 51 -15.720 -2.626 -10.754 1.00 32.11 N ATOM 830 CA HIS A 51 -15.560 -1.236 -11.220 1.00 44.31 C ATOM 831 C HIS A 51 -14.525 -0.479 -10.367 1.00 75.20 C ATOM 832 O HIS A 51 -14.018 0.572 -10.760 1.00 71.01 O ATOM 833 CB HIS A 51 -16.914 -0.506 -11.176 1.00 72.41 C ATOM 834 CG HIS A 51 -16.830 0.958 -11.512 1.00 23.23 C ATOM 835 ND1 HIS A 51 -16.778 1.437 -12.802 1.00 31.13 N ATOM 836 CD2 HIS A 51 -16.771 2.051 -10.710 1.00 11.23 C ATOM 837 CE1 HIS A 51 -16.688 2.751 -12.782 1.00 54.24 C ATOM 838 NE2 HIS A 51 -16.681 3.152 -11.528 1.00 54.43 N ATOM 0 H HIS A 51 -16.613 -2.818 -10.299 1.00 32.11 H new ATOM 0 HA HIS A 51 -15.198 -1.263 -12.248 1.00 44.31 H new ATOM 0 HB2 HIS A 51 -17.599 -0.990 -11.873 1.00 72.41 H new ATOM 0 HB3 HIS A 51 -17.342 -0.616 -10.180 1.00 72.41 H new ATOM 0 HD2 HIS A 51 -16.791 2.055 -9.630 1.00 11.23 H new ATOM 0 HE1 HIS A 51 -16.630 3.392 -13.649 1.00 54.24 H new ATOM 0 HE2 HIS A 51 -16.619 4.121 -11.215 1.00 54.43 H new ATOM 847 N LEU A 52 -14.220 -1.028 -9.197 1.00 12.41 N ATOM 848 CA LEU A 52 -13.318 -0.387 -8.237 1.00 35.14 C ATOM 849 C LEU A 52 -11.847 -0.457 -8.693 1.00 74.13 C ATOM 850 O LEU A 52 -11.095 -1.343 -8.285 1.00 40.55 O ATOM 851 CB LEU A 52 -13.494 -1.059 -6.868 1.00 32.22 C ATOM 852 CG LEU A 52 -14.948 -1.119 -6.365 1.00 32.40 C ATOM 853 CD1 LEU A 52 -15.074 -2.071 -5.182 1.00 14.13 C ATOM 854 CD2 LEU A 52 -15.444 0.277 -5.991 1.00 32.00 C ATOM 0 H LEU A 52 -14.587 -1.927 -8.884 1.00 12.41 H new ATOM 0 HA LEU A 52 -13.575 0.670 -8.169 1.00 35.14 H new ATOM 0 HB2 LEU A 52 -13.100 -2.074 -6.923 1.00 32.22 H new ATOM 0 HB3 LEU A 52 -12.892 -0.523 -6.135 1.00 32.22 H new ATOM 0 HG LEU A 52 -15.573 -1.500 -7.173 1.00 32.40 H new ATOM 0 HD11 LEU A 52 -16.110 -2.097 -4.844 1.00 14.13 H new ATOM 0 HD12 LEU A 52 -14.767 -3.072 -5.486 1.00 14.13 H new ATOM 0 HD13 LEU A 52 -14.436 -1.727 -4.368 1.00 14.13 H new ATOM 0 HD21 LEU A 52 -16.473 0.215 -5.638 1.00 32.00 H new ATOM 0 HD22 LEU A 52 -14.814 0.688 -5.202 1.00 32.00 H new ATOM 0 HD23 LEU A 52 -15.399 0.926 -6.866 1.00 32.00 H new ATOM 866 N TYR A 53 -11.450 0.473 -9.559 1.00 63.41 N ATOM 867 CA TYR A 53 -10.070 0.534 -10.057 1.00 32.23 C ATOM 868 C TYR A 53 -9.287 1.676 -9.390 1.00 1.03 C ATOM 869 O TYR A 53 -9.367 2.837 -9.810 1.00 61.21 O ATOM 870 CB TYR A 53 -10.057 0.699 -11.588 1.00 25.45 C ATOM 871 CG TYR A 53 -10.673 -0.472 -12.333 1.00 54.31 C ATOM 872 CD1 TYR A 53 -10.094 -1.736 -12.274 1.00 5.23 C ATOM 873 CD2 TYR A 53 -11.828 -0.315 -13.093 1.00 71.00 C ATOM 874 CE1 TYR A 53 -10.648 -2.809 -12.947 1.00 64.02 C ATOM 875 CE2 TYR A 53 -12.389 -1.383 -13.771 1.00 33.52 C ATOM 876 CZ TYR A 53 -11.795 -2.629 -13.694 1.00 62.23 C ATOM 877 OH TYR A 53 -12.351 -3.704 -14.365 1.00 44.03 O ATOM 0 H TYR A 53 -12.063 1.198 -9.933 1.00 63.41 H new ATOM 0 HA TYR A 53 -9.580 -0.405 -9.800 1.00 32.23 H new ATOM 0 HB2 TYR A 53 -10.595 1.609 -11.851 1.00 25.45 H new ATOM 0 HB3 TYR A 53 -9.028 0.830 -11.922 1.00 25.45 H new ATOM 0 HD1 TYR A 53 -9.196 -1.881 -11.692 1.00 5.23 H new ATOM 0 HD2 TYR A 53 -12.295 0.657 -13.155 1.00 71.00 H new ATOM 0 HE1 TYR A 53 -10.186 -3.783 -12.889 1.00 64.02 H new ATOM 0 HE2 TYR A 53 -13.286 -1.244 -14.357 1.00 33.52 H new ATOM 0 HH TYR A 53 -13.155 -3.411 -14.843 1.00 44.03 H new ATOM 887 N SER A 54 -8.550 1.345 -8.333 1.00 31.32 N ATOM 888 CA SER A 54 -7.724 2.320 -7.604 1.00 12.21 C ATOM 889 C SER A 54 -6.590 1.610 -6.859 1.00 13.31 C ATOM 890 O SER A 54 -6.776 0.505 -6.352 1.00 65.13 O ATOM 891 CB SER A 54 -8.571 3.122 -6.600 1.00 31.42 C ATOM 892 OG SER A 54 -9.593 3.866 -7.250 1.00 40.24 O ATOM 0 H SER A 54 -8.504 0.399 -7.954 1.00 31.32 H new ATOM 0 HA SER A 54 -7.302 3.009 -8.336 1.00 12.21 H new ATOM 0 HB2 SER A 54 -9.020 2.441 -5.877 1.00 31.42 H new ATOM 0 HB3 SER A 54 -7.927 3.800 -6.041 1.00 31.42 H new ATOM 0 HG SER A 54 -9.543 3.715 -8.217 1.00 40.24 H new ATOM 898 N ARG A 55 -5.415 2.238 -6.793 1.00 12.54 N ATOM 899 CA ARG A 55 -4.259 1.637 -6.113 1.00 63.22 C ATOM 900 C ARG A 55 -3.568 2.628 -5.164 1.00 21.21 C ATOM 901 O ARG A 55 -3.697 3.845 -5.309 1.00 24.22 O ATOM 902 CB ARG A 55 -3.263 1.085 -7.142 1.00 73.15 C ATOM 903 CG ARG A 55 -3.844 -0.048 -7.986 1.00 31.31 C ATOM 904 CD ARG A 55 -2.823 -0.640 -8.946 1.00 62.11 C ATOM 905 NE ARG A 55 -3.398 -1.728 -9.738 1.00 12.42 N ATOM 906 CZ ARG A 55 -2.842 -2.234 -10.803 1.00 53.15 C ATOM 907 NH1 ARG A 55 -1.735 -1.744 -11.265 1.00 31.53 N ATOM 908 NH2 ARG A 55 -3.414 -3.210 -11.422 1.00 23.33 N ATOM 0 H ARG A 55 -5.236 3.157 -7.198 1.00 12.54 H new ATOM 0 HA ARG A 55 -4.629 0.814 -5.502 1.00 63.22 H new ATOM 0 HB2 ARG A 55 -2.943 1.893 -7.800 1.00 73.15 H new ATOM 0 HB3 ARG A 55 -2.375 0.725 -6.623 1.00 73.15 H new ATOM 0 HG2 ARG A 55 -4.217 -0.833 -7.328 1.00 31.31 H new ATOM 0 HG3 ARG A 55 -4.697 0.325 -8.552 1.00 31.31 H new ATOM 0 HD2 ARG A 55 -2.453 0.140 -9.612 1.00 62.11 H new ATOM 0 HD3 ARG A 55 -1.966 -1.011 -8.384 1.00 62.11 H new ATOM 0 HE ARG A 55 -4.292 -2.116 -9.437 1.00 12.42 H new ATOM 0 HH11 ARG A 55 -1.291 -0.955 -10.795 1.00 31.53 H new ATOM 0 HH12 ARG A 55 -1.308 -2.147 -12.099 1.00 31.53 H new ATOM 0 HH21 ARG A 55 -4.299 -3.584 -11.078 1.00 23.33 H new ATOM 0 HH22 ARG A 55 -2.982 -3.608 -12.256 1.00 23.33 H new ATOM 922 N ALA A 56 -2.821 2.087 -4.198 1.00 11.14 N ATOM 923 CA ALA A 56 -2.236 2.887 -3.114 1.00 62.44 C ATOM 924 C ALA A 56 -0.775 3.292 -3.378 1.00 51.13 C ATOM 925 O ALA A 56 -0.089 2.719 -4.226 1.00 42.11 O ATOM 926 CB ALA A 56 -2.332 2.113 -1.804 1.00 44.02 C ATOM 0 H ALA A 56 -2.605 1.092 -4.143 1.00 11.14 H new ATOM 0 HA ALA A 56 -2.809 3.813 -3.055 1.00 62.44 H new ATOM 0 HB1 ALA A 56 -1.898 2.706 -0.999 1.00 44.02 H new ATOM 0 HB2 ALA A 56 -3.378 1.906 -1.579 1.00 44.02 H new ATOM 0 HB3 ALA A 56 -1.788 1.173 -1.896 1.00 44.02 H new ATOM 932 N TYR A 57 -0.312 4.291 -2.624 1.00 5.51 N ATOM 933 CA TYR A 57 1.064 4.799 -2.724 1.00 54.12 C ATOM 934 C TYR A 57 1.763 4.719 -1.354 1.00 4.52 C ATOM 935 O TYR A 57 1.101 4.725 -0.316 1.00 31.51 O ATOM 936 CB TYR A 57 1.043 6.258 -3.217 1.00 32.54 C ATOM 937 CG TYR A 57 0.294 6.458 -4.529 1.00 31.34 C ATOM 938 CD1 TYR A 57 -1.100 6.450 -4.569 1.00 14.15 C ATOM 939 CD2 TYR A 57 0.977 6.650 -5.726 1.00 74.44 C ATOM 940 CE1 TYR A 57 -1.784 6.621 -5.759 1.00 21.45 C ATOM 941 CE2 TYR A 57 0.299 6.825 -6.919 1.00 72.12 C ATOM 942 CZ TYR A 57 -1.081 6.808 -6.930 1.00 54.30 C ATOM 943 OH TYR A 57 -1.759 6.976 -8.117 1.00 74.35 O ATOM 0 H TYR A 57 -0.878 4.773 -1.926 1.00 5.51 H new ATOM 0 HA TYR A 57 1.617 4.186 -3.435 1.00 54.12 H new ATOM 0 HB2 TYR A 57 0.585 6.883 -2.450 1.00 32.54 H new ATOM 0 HB3 TYR A 57 2.069 6.604 -3.340 1.00 32.54 H new ATOM 0 HD1 TYR A 57 -1.656 6.308 -3.654 1.00 14.15 H new ATOM 0 HD2 TYR A 57 2.057 6.663 -5.724 1.00 74.44 H new ATOM 0 HE1 TYR A 57 -2.864 6.608 -5.771 1.00 21.45 H new ATOM 0 HE2 TYR A 57 0.847 6.974 -7.838 1.00 72.12 H new ATOM 0 HH TYR A 57 -1.116 7.097 -8.847 1.00 74.35 H new ATOM 953 N ILE A 58 3.096 4.643 -1.343 1.00 72.41 N ATOM 954 CA ILE A 58 3.852 4.543 -0.080 1.00 52.40 C ATOM 955 C ILE A 58 4.975 5.596 0.005 1.00 51.22 C ATOM 956 O ILE A 58 5.961 5.546 -0.737 1.00 12.13 O ATOM 957 CB ILE A 58 4.468 3.131 0.106 1.00 42.04 C ATOM 958 CG1 ILE A 58 3.394 2.039 -0.068 1.00 60.41 C ATOM 959 CG2 ILE A 58 5.124 3.026 1.483 1.00 24.55 C ATOM 960 CD1 ILE A 58 3.929 0.623 0.044 1.00 14.11 C ATOM 0 H ILE A 58 3.675 4.648 -2.183 1.00 72.41 H new ATOM 0 HA ILE A 58 3.134 4.730 0.718 1.00 52.40 H new ATOM 0 HB ILE A 58 5.229 2.979 -0.659 1.00 42.04 H new ATOM 0 HG12 ILE A 58 2.618 2.184 0.684 1.00 60.41 H new ATOM 0 HG13 ILE A 58 2.921 2.162 -1.042 1.00 60.41 H new ATOM 0 HG21 ILE A 58 5.554 2.032 1.606 1.00 24.55 H new ATOM 0 HG22 ILE A 58 5.911 3.775 1.569 1.00 24.55 H new ATOM 0 HG23 ILE A 58 4.375 3.196 2.257 1.00 24.55 H new ATOM 0 HD11 ILE A 58 3.112 -0.086 -0.090 1.00 14.11 H new ATOM 0 HD12 ILE A 58 4.683 0.457 -0.725 1.00 14.11 H new ATOM 0 HD13 ILE A 58 4.376 0.480 1.028 1.00 14.11 H new ATOM 972 N ASN A 59 4.831 6.544 0.927 1.00 64.42 N ATOM 973 CA ASN A 59 5.804 7.630 1.076 1.00 32.33 C ATOM 974 C ASN A 59 6.919 7.268 2.077 1.00 51.31 C ATOM 975 O ASN A 59 6.793 7.486 3.286 1.00 1.44 O ATOM 976 CB ASN A 59 5.078 8.908 1.509 1.00 3.31 C ATOM 977 CG ASN A 59 6.007 10.098 1.677 1.00 64.21 C ATOM 978 OD1 ASN A 59 7.027 10.219 1.005 1.00 2.44 O ATOM 979 ND2 ASN A 59 5.653 10.991 2.577 1.00 45.20 N ATOM 0 H ASN A 59 4.051 6.585 1.583 1.00 64.42 H new ATOM 0 HA ASN A 59 6.285 7.795 0.112 1.00 32.33 H new ATOM 0 HB2 ASN A 59 4.315 9.153 0.770 1.00 3.31 H new ATOM 0 HB3 ASN A 59 4.561 8.723 2.451 1.00 3.31 H new ATOM 0 HD21 ASN A 59 6.233 11.815 2.733 1.00 45.20 H new ATOM 0 HD22 ASN A 59 4.798 10.859 3.118 1.00 45.20 H new ATOM 986 N PHE A 60 8.008 6.695 1.564 1.00 34.21 N ATOM 987 CA PHE A 60 9.177 6.365 2.388 1.00 61.32 C ATOM 988 C PHE A 60 9.961 7.620 2.787 1.00 33.31 C ATOM 989 O PHE A 60 10.463 8.349 1.934 1.00 21.22 O ATOM 990 CB PHE A 60 10.110 5.398 1.642 1.00 44.23 C ATOM 991 CG PHE A 60 9.647 3.962 1.654 1.00 1.14 C ATOM 992 CD1 PHE A 60 8.766 3.485 0.696 1.00 70.44 C ATOM 993 CD2 PHE A 60 10.105 3.091 2.630 1.00 4.43 C ATOM 994 CE1 PHE A 60 8.355 2.164 0.711 1.00 54.44 C ATOM 995 CE2 PHE A 60 9.698 1.772 2.649 1.00 4.43 C ATOM 996 CZ PHE A 60 8.821 1.307 1.690 1.00 41.23 C ATOM 0 H PHE A 60 8.107 6.448 0.579 1.00 34.21 H new ATOM 0 HA PHE A 60 8.806 5.887 3.295 1.00 61.32 H new ATOM 0 HB2 PHE A 60 10.207 5.729 0.608 1.00 44.23 H new ATOM 0 HB3 PHE A 60 11.103 5.452 2.088 1.00 44.23 H new ATOM 0 HD1 PHE A 60 8.397 4.151 -0.070 1.00 70.44 H new ATOM 0 HD2 PHE A 60 10.789 3.449 3.385 1.00 4.43 H new ATOM 0 HE1 PHE A 60 7.670 1.803 -0.042 1.00 54.44 H new ATOM 0 HE2 PHE A 60 10.066 1.104 3.414 1.00 4.43 H new ATOM 0 HZ PHE A 60 8.500 0.276 1.705 1.00 41.23 H new ATOM 1006 N ARG A 61 10.067 7.866 4.092 1.00 22.41 N ATOM 1007 CA ARG A 61 10.855 8.994 4.607 1.00 61.44 C ATOM 1008 C ARG A 61 12.321 8.593 4.872 1.00 23.01 C ATOM 1009 O ARG A 61 13.127 9.419 5.305 1.00 44.24 O ATOM 1010 CB ARG A 61 10.232 9.545 5.900 1.00 31.51 C ATOM 1011 CG ARG A 61 8.807 10.083 5.742 1.00 32.53 C ATOM 1012 CD ARG A 61 8.311 10.738 7.034 1.00 12.14 C ATOM 1013 NE ARG A 61 6.910 11.160 6.961 1.00 41.34 N ATOM 1014 CZ ARG A 61 6.263 11.746 7.937 1.00 22.33 C ATOM 1015 NH1 ARG A 61 6.879 12.092 9.023 1.00 12.12 N ATOM 1016 NH2 ARG A 61 5.001 12.005 7.813 1.00 61.11 N ATOM 0 H ARG A 61 9.619 7.302 4.814 1.00 22.41 H new ATOM 0 HA ARG A 61 10.845 9.769 3.840 1.00 61.44 H new ATOM 0 HB2 ARG A 61 10.227 8.755 6.651 1.00 31.51 H new ATOM 0 HB3 ARG A 61 10.868 10.344 6.282 1.00 31.51 H new ATOM 0 HG2 ARG A 61 8.779 10.809 4.930 1.00 32.53 H new ATOM 0 HG3 ARG A 61 8.138 9.269 5.465 1.00 32.53 H new ATOM 0 HD2 ARG A 61 8.431 10.036 7.860 1.00 12.14 H new ATOM 0 HD3 ARG A 61 8.934 11.604 7.258 1.00 12.14 H new ATOM 0 HE ARG A 61 6.405 10.986 6.092 1.00 41.34 H new ATOM 0 HH11 ARG A 61 7.877 11.908 9.124 1.00 12.12 H new ATOM 0 HH12 ARG A 61 6.366 12.548 9.777 1.00 12.12 H new ATOM 0 HH21 ARG A 61 4.510 11.753 6.955 1.00 61.11 H new ATOM 0 HH22 ARG A 61 4.497 12.461 8.573 1.00 61.11 H new ATOM 1030 N ASN A 62 12.665 7.330 4.602 1.00 33.52 N ATOM 1031 CA ASN A 62 14.009 6.811 4.900 1.00 64.03 C ATOM 1032 C ASN A 62 14.426 5.701 3.907 1.00 62.42 C ATOM 1033 O ASN A 62 13.660 4.772 3.648 1.00 54.20 O ATOM 1034 CB ASN A 62 14.048 6.289 6.342 1.00 30.40 C ATOM 1035 CG ASN A 62 15.437 5.858 6.768 1.00 74.25 C ATOM 1036 OD1 ASN A 62 16.261 6.676 7.159 1.00 22.04 O ATOM 1037 ND2 ASN A 62 15.700 4.571 6.731 1.00 51.33 N ATOM 0 H ASN A 62 12.036 6.648 4.179 1.00 33.52 H new ATOM 0 HA ASN A 62 14.724 7.626 4.790 1.00 64.03 H new ATOM 0 HB2 ASN A 62 13.690 7.067 7.016 1.00 30.40 H new ATOM 0 HB3 ASN A 62 13.364 5.445 6.438 1.00 30.40 H new ATOM 0 HD21 ASN A 62 16.612 4.228 7.033 1.00 51.33 H new ATOM 0 HD22 ASN A 62 14.992 3.915 6.400 1.00 51.33 H new ATOM 1044 N PRO A 63 15.663 5.780 3.355 1.00 15.25 N ATOM 1045 CA PRO A 63 16.144 4.842 2.313 1.00 12.15 C ATOM 1046 C PRO A 63 16.340 3.392 2.800 1.00 10.12 C ATOM 1047 O PRO A 63 16.139 2.444 2.037 1.00 0.11 O ATOM 1048 CB PRO A 63 17.491 5.451 1.890 1.00 70.34 C ATOM 1049 CG PRO A 63 17.940 6.231 3.078 1.00 11.24 C ATOM 1050 CD PRO A 63 16.687 6.792 3.694 1.00 34.52 C ATOM 0 HA PRO A 63 15.412 4.746 1.511 1.00 12.15 H new ATOM 0 HB2 PRO A 63 18.212 4.676 1.629 1.00 70.34 H new ATOM 0 HB3 PRO A 63 17.379 6.091 1.015 1.00 70.34 H new ATOM 0 HG2 PRO A 63 18.473 5.595 3.785 1.00 11.24 H new ATOM 0 HG3 PRO A 63 18.624 7.028 2.787 1.00 11.24 H new ATOM 0 HD2 PRO A 63 16.789 6.917 4.772 1.00 34.52 H new ATOM 0 HD3 PRO A 63 16.439 7.770 3.282 1.00 34.52 H new ATOM 1058 N ASP A 64 16.744 3.217 4.062 1.00 44.34 N ATOM 1059 CA ASP A 64 16.975 1.875 4.617 1.00 71.24 C ATOM 1060 C ASP A 64 15.711 1.004 4.519 1.00 24.02 C ATOM 1061 O ASP A 64 15.774 -0.165 4.133 1.00 33.33 O ATOM 1062 CB ASP A 64 17.435 1.970 6.075 1.00 22.13 C ATOM 1063 CG ASP A 64 18.691 2.809 6.231 1.00 60.12 C ATOM 1064 OD1 ASP A 64 19.798 2.286 5.991 1.00 4.43 O ATOM 1065 OD2 ASP A 64 18.579 4.000 6.588 1.00 75.01 O ATOM 0 H ASP A 64 16.917 3.980 4.716 1.00 44.34 H new ATOM 0 HA ASP A 64 17.760 1.403 4.026 1.00 71.24 H new ATOM 0 HB2 ASP A 64 16.636 2.401 6.678 1.00 22.13 H new ATOM 0 HB3 ASP A 64 17.620 0.968 6.461 1.00 22.13 H new ATOM 1070 N ASP A 65 14.565 1.591 4.861 1.00 61.20 N ATOM 1071 CA ASP A 65 13.280 0.891 4.801 1.00 12.12 C ATOM 1072 C ASP A 65 12.943 0.435 3.375 1.00 45.31 C ATOM 1073 O ASP A 65 12.326 -0.611 3.181 1.00 2.22 O ATOM 1074 CB ASP A 65 12.170 1.798 5.328 1.00 42.33 C ATOM 1075 CG ASP A 65 12.430 2.245 6.749 1.00 60.23 C ATOM 1076 OD1 ASP A 65 13.247 3.168 6.945 1.00 54.14 O ATOM 1077 OD2 ASP A 65 11.822 1.683 7.681 1.00 20.31 O ATOM 0 H ASP A 65 14.499 2.556 5.185 1.00 61.20 H new ATOM 0 HA ASP A 65 13.359 0.001 5.425 1.00 12.12 H new ATOM 0 HB2 ASP A 65 12.080 2.673 4.684 1.00 42.33 H new ATOM 0 HB3 ASP A 65 11.218 1.269 5.283 1.00 42.33 H new ATOM 1082 N ILE A 66 13.353 1.224 2.382 1.00 22.32 N ATOM 1083 CA ILE A 66 13.095 0.893 0.978 1.00 3.34 C ATOM 1084 C ILE A 66 13.691 -0.478 0.614 1.00 31.14 C ATOM 1085 O ILE A 66 12.958 -1.420 0.323 1.00 44.10 O ATOM 1086 CB ILE A 66 13.660 1.976 0.021 1.00 12.51 C ATOM 1087 CG1 ILE A 66 13.056 3.351 0.356 1.00 71.41 C ATOM 1088 CG2 ILE A 66 13.385 1.605 -1.437 1.00 71.34 C ATOM 1089 CD1 ILE A 66 13.560 4.478 -0.524 1.00 71.12 C ATOM 0 H ILE A 66 13.864 2.095 2.522 1.00 22.32 H new ATOM 0 HA ILE A 66 12.013 0.855 0.856 1.00 3.34 H new ATOM 0 HB ILE A 66 14.740 2.030 0.158 1.00 12.51 H new ATOM 0 HG12 ILE A 66 11.971 3.291 0.266 1.00 71.41 H new ATOM 0 HG13 ILE A 66 13.277 3.590 1.396 1.00 71.41 H new ATOM 0 HG21 ILE A 66 13.789 2.377 -2.091 1.00 71.34 H new ATOM 0 HG22 ILE A 66 13.860 0.651 -1.665 1.00 71.34 H new ATOM 0 HG23 ILE A 66 12.310 1.522 -1.595 1.00 71.34 H new ATOM 0 HD11 ILE A 66 13.087 5.413 -0.224 1.00 71.12 H new ATOM 0 HD12 ILE A 66 14.641 4.568 -0.417 1.00 71.12 H new ATOM 0 HD13 ILE A 66 13.315 4.265 -1.564 1.00 71.12 H new ATOM 1101 N LEU A 67 15.020 -0.592 0.668 1.00 13.15 N ATOM 1102 CA LEU A 67 15.700 -1.849 0.323 1.00 44.21 C ATOM 1103 C LEU A 67 15.319 -2.993 1.281 1.00 73.14 C ATOM 1104 O LEU A 67 15.312 -4.163 0.893 1.00 2.10 O ATOM 1105 CB LEU A 67 17.230 -1.652 0.274 1.00 23.30 C ATOM 1106 CG LEU A 67 17.887 -1.008 1.519 1.00 22.31 C ATOM 1107 CD1 LEU A 67 18.093 -2.025 2.642 1.00 15.40 C ATOM 1108 CD2 LEU A 67 19.215 -0.348 1.145 1.00 72.15 C ATOM 0 H LEU A 67 15.646 0.164 0.945 1.00 13.15 H new ATOM 0 HA LEU A 67 15.361 -2.138 -0.672 1.00 44.21 H new ATOM 0 HB2 LEU A 67 17.693 -2.625 0.109 1.00 23.30 H new ATOM 0 HB3 LEU A 67 17.466 -1.035 -0.593 1.00 23.30 H new ATOM 0 HG LEU A 67 17.205 -0.243 1.889 1.00 22.31 H new ATOM 0 HD11 LEU A 67 18.556 -1.534 3.497 1.00 15.40 H new ATOM 0 HD12 LEU A 67 17.129 -2.439 2.939 1.00 15.40 H new ATOM 0 HD13 LEU A 67 18.740 -2.829 2.291 1.00 15.40 H new ATOM 0 HD21 LEU A 67 19.662 0.099 2.033 1.00 72.15 H new ATOM 0 HD22 LEU A 67 19.892 -1.098 0.737 1.00 72.15 H new ATOM 0 HD23 LEU A 67 19.039 0.426 0.398 1.00 72.15 H new ATOM 1120 N LEU A 68 15.000 -2.645 2.526 1.00 62.12 N ATOM 1121 CA LEU A 68 14.572 -3.628 3.528 1.00 11.01 C ATOM 1122 C LEU A 68 13.213 -4.252 3.167 1.00 72.51 C ATOM 1123 O LEU A 68 13.100 -5.466 2.967 1.00 1.41 O ATOM 1124 CB LEU A 68 14.491 -2.956 4.912 1.00 62.14 C ATOM 1125 CG LEU A 68 13.773 -3.764 6.008 1.00 32.14 C ATOM 1126 CD1 LEU A 68 14.468 -5.103 6.248 1.00 33.54 C ATOM 1127 CD2 LEU A 68 13.693 -2.957 7.303 1.00 15.03 C ATOM 0 H LEU A 68 15.029 -1.685 2.870 1.00 62.12 H new ATOM 0 HA LEU A 68 15.310 -4.430 3.550 1.00 11.01 H new ATOM 0 HB2 LEU A 68 15.505 -2.741 5.251 1.00 62.14 H new ATOM 0 HB3 LEU A 68 13.982 -1.998 4.801 1.00 62.14 H new ATOM 0 HG LEU A 68 12.759 -3.970 5.666 1.00 32.14 H new ATOM 0 HD11 LEU A 68 13.940 -5.653 7.027 1.00 33.54 H new ATOM 0 HD12 LEU A 68 14.464 -5.685 5.327 1.00 33.54 H new ATOM 0 HD13 LEU A 68 15.497 -4.928 6.562 1.00 33.54 H new ATOM 0 HD21 LEU A 68 13.182 -3.544 8.066 1.00 15.03 H new ATOM 0 HD22 LEU A 68 14.700 -2.715 7.644 1.00 15.03 H new ATOM 0 HD23 LEU A 68 13.140 -2.035 7.124 1.00 15.03 H new ATOM 1139 N PHE A 69 12.191 -3.411 3.080 1.00 41.31 N ATOM 1140 CA PHE A 69 10.819 -3.866 2.858 1.00 53.54 C ATOM 1141 C PHE A 69 10.568 -4.339 1.415 1.00 63.24 C ATOM 1142 O PHE A 69 9.787 -5.267 1.202 1.00 41.41 O ATOM 1143 CB PHE A 69 9.831 -2.761 3.259 1.00 25.44 C ATOM 1144 CG PHE A 69 9.586 -2.693 4.748 1.00 60.52 C ATOM 1145 CD1 PHE A 69 8.614 -3.492 5.332 1.00 42.13 C ATOM 1146 CD2 PHE A 69 10.329 -1.848 5.565 1.00 51.34 C ATOM 1147 CE1 PHE A 69 8.385 -3.451 6.691 1.00 2.00 C ATOM 1148 CE2 PHE A 69 10.102 -1.805 6.926 1.00 74.44 C ATOM 1149 CZ PHE A 69 9.129 -2.607 7.490 1.00 4.12 C ATOM 0 H PHE A 69 12.285 -2.399 3.160 1.00 41.31 H new ATOM 0 HA PHE A 69 10.660 -4.739 3.491 1.00 53.54 H new ATOM 0 HB2 PHE A 69 10.213 -1.799 2.916 1.00 25.44 H new ATOM 0 HB3 PHE A 69 8.882 -2.928 2.749 1.00 25.44 H new ATOM 0 HD1 PHE A 69 8.028 -4.156 4.713 1.00 42.13 H new ATOM 0 HD2 PHE A 69 11.092 -1.219 5.130 1.00 51.34 H new ATOM 0 HE1 PHE A 69 7.624 -4.079 7.130 1.00 2.00 H new ATOM 0 HE2 PHE A 69 10.685 -1.144 7.550 1.00 74.44 H new ATOM 0 HZ PHE A 69 8.951 -2.574 8.555 1.00 4.12 H new ATOM 1159 N ARG A 70 11.230 -3.730 0.428 1.00 5.03 N ATOM 1160 CA ARG A 70 11.054 -4.150 -0.974 1.00 33.12 C ATOM 1161 C ARG A 70 11.424 -5.632 -1.158 1.00 23.05 C ATOM 1162 O ARG A 70 10.805 -6.345 -1.940 1.00 33.21 O ATOM 1163 CB ARG A 70 11.880 -3.262 -1.936 1.00 63.14 C ATOM 1164 CG ARG A 70 13.404 -3.394 -1.799 1.00 42.14 C ATOM 1165 CD ARG A 70 13.992 -4.507 -2.670 1.00 70.42 C ATOM 1166 NE ARG A 70 15.406 -4.744 -2.375 1.00 50.45 N ATOM 1167 CZ ARG A 70 16.257 -5.268 -3.218 1.00 61.13 C ATOM 1168 NH1 ARG A 70 15.873 -5.643 -4.398 1.00 31.32 N ATOM 1169 NH2 ARG A 70 17.486 -5.444 -2.860 1.00 45.32 N ATOM 0 H ARG A 70 11.882 -2.958 0.564 1.00 5.03 H new ATOM 0 HA ARG A 70 10.000 -4.026 -1.222 1.00 33.12 H new ATOM 0 HB2 ARG A 70 11.601 -3.506 -2.961 1.00 63.14 H new ATOM 0 HB3 ARG A 70 11.605 -2.220 -1.770 1.00 63.14 H new ATOM 0 HG2 ARG A 70 13.870 -2.446 -2.068 1.00 42.14 H new ATOM 0 HG3 ARG A 70 13.653 -3.587 -0.756 1.00 42.14 H new ATOM 0 HD2 ARG A 70 13.429 -5.427 -2.512 1.00 70.42 H new ATOM 0 HD3 ARG A 70 13.880 -4.242 -3.721 1.00 70.42 H new ATOM 0 HE ARG A 70 15.750 -4.483 -1.451 1.00 50.45 H new ATOM 0 HH11 ARG A 70 14.898 -5.530 -4.677 1.00 31.32 H new ATOM 0 HH12 ARG A 70 16.546 -6.051 -5.048 1.00 31.32 H new ATOM 0 HH21 ARG A 70 17.788 -5.175 -1.924 1.00 45.32 H new ATOM 0 HH22 ARG A 70 18.154 -5.852 -3.514 1.00 45.32 H new ATOM 1183 N ASP A 71 12.433 -6.085 -0.414 1.00 72.41 N ATOM 1184 CA ASP A 71 12.913 -7.466 -0.512 1.00 74.41 C ATOM 1185 C ASP A 71 11.855 -8.471 -0.015 1.00 45.12 C ATOM 1186 O ASP A 71 11.609 -9.496 -0.649 1.00 75.14 O ATOM 1187 CB ASP A 71 14.215 -7.614 0.289 1.00 41.43 C ATOM 1188 CG ASP A 71 14.791 -9.017 0.198 1.00 73.34 C ATOM 1189 OD1 ASP A 71 15.419 -9.345 -0.827 1.00 43.12 O ATOM 1190 OD2 ASP A 71 14.607 -9.806 1.151 1.00 0.24 O ATOM 0 H ASP A 71 12.936 -5.515 0.266 1.00 72.41 H new ATOM 0 HA ASP A 71 13.104 -7.690 -1.561 1.00 74.41 H new ATOM 0 HB2 ASP A 71 14.949 -6.898 -0.079 1.00 41.43 H new ATOM 0 HB3 ASP A 71 14.026 -7.368 1.334 1.00 41.43 H new ATOM 1195 N ARG A 72 11.223 -8.164 1.119 1.00 53.14 N ATOM 1196 CA ARG A 72 10.206 -9.053 1.708 1.00 64.24 C ATOM 1197 C ARG A 72 8.820 -8.873 1.054 1.00 23.33 C ATOM 1198 O ARG A 72 7.987 -9.782 1.081 1.00 72.14 O ATOM 1199 CB ARG A 72 10.108 -8.820 3.227 1.00 62.41 C ATOM 1200 CG ARG A 72 9.913 -7.358 3.623 1.00 42.53 C ATOM 1201 CD ARG A 72 9.618 -7.204 5.113 1.00 62.44 C ATOM 1202 NE ARG A 72 8.320 -7.770 5.473 1.00 32.14 N ATOM 1203 CZ ARG A 72 7.791 -7.710 6.667 1.00 55.32 C ATOM 1204 NH1 ARG A 72 8.425 -7.142 7.645 1.00 23.00 N ATOM 1205 NH2 ARG A 72 6.625 -8.226 6.881 1.00 74.03 N ATOM 0 H ARG A 72 11.393 -7.310 1.651 1.00 53.14 H new ATOM 0 HA ARG A 72 10.525 -10.077 1.516 1.00 64.24 H new ATOM 0 HB2 ARG A 72 9.277 -9.406 3.621 1.00 62.41 H new ATOM 0 HB3 ARG A 72 11.015 -9.195 3.700 1.00 62.41 H new ATOM 0 HG2 ARG A 72 10.809 -6.791 3.370 1.00 42.53 H new ATOM 0 HG3 ARG A 72 9.093 -6.932 3.045 1.00 42.53 H new ATOM 0 HD2 ARG A 72 10.401 -7.695 5.691 1.00 62.44 H new ATOM 0 HD3 ARG A 72 9.640 -6.147 5.380 1.00 62.44 H new ATOM 0 HE ARG A 72 7.790 -8.245 4.742 1.00 32.14 H new ATOM 0 HH11 ARG A 72 9.347 -6.736 7.487 1.00 23.00 H new ATOM 0 HH12 ARG A 72 8.002 -7.102 8.572 1.00 23.00 H new ATOM 0 HH21 ARG A 72 6.120 -8.679 6.119 1.00 74.03 H new ATOM 0 HH22 ARG A 72 6.210 -8.180 7.812 1.00 74.03 H new ATOM 1219 N PHE A 73 8.573 -7.699 0.473 1.00 55.10 N ATOM 1220 CA PHE A 73 7.277 -7.400 -0.161 1.00 44.53 C ATOM 1221 C PHE A 73 7.320 -7.512 -1.692 1.00 2.54 C ATOM 1222 O PHE A 73 6.343 -7.194 -2.368 1.00 4.52 O ATOM 1223 CB PHE A 73 6.797 -6.003 0.242 1.00 3.11 C ATOM 1224 CG PHE A 73 6.105 -5.967 1.581 1.00 11.35 C ATOM 1225 CD1 PHE A 73 4.758 -6.284 1.682 1.00 24.24 C ATOM 1226 CD2 PHE A 73 6.796 -5.629 2.736 1.00 14.30 C ATOM 1227 CE1 PHE A 73 4.116 -6.267 2.904 1.00 62.12 C ATOM 1228 CE2 PHE A 73 6.156 -5.609 3.960 1.00 12.34 C ATOM 1229 CZ PHE A 73 4.814 -5.928 4.042 1.00 74.55 C ATOM 0 H PHE A 73 9.249 -6.936 0.425 1.00 55.10 H new ATOM 0 HA PHE A 73 6.575 -8.152 0.198 1.00 44.53 H new ATOM 0 HB2 PHE A 73 7.652 -5.327 0.265 1.00 3.11 H new ATOM 0 HB3 PHE A 73 6.115 -5.628 -0.521 1.00 3.11 H new ATOM 0 HD1 PHE A 73 4.204 -6.548 0.793 1.00 24.24 H new ATOM 0 HD2 PHE A 73 7.845 -5.379 2.677 1.00 14.30 H new ATOM 0 HE1 PHE A 73 3.068 -6.519 2.968 1.00 62.12 H new ATOM 0 HE2 PHE A 73 6.704 -5.344 4.852 1.00 12.34 H new ATOM 0 HZ PHE A 73 4.312 -5.912 4.998 1.00 74.55 H new ATOM 1239 N ASP A 74 8.446 -7.944 -2.239 1.00 52.35 N ATOM 1240 CA ASP A 74 8.556 -8.176 -3.685 1.00 2.34 C ATOM 1241 C ASP A 74 7.668 -9.361 -4.123 1.00 21.42 C ATOM 1242 O ASP A 74 8.100 -10.514 -4.123 1.00 53.23 O ATOM 1243 CB ASP A 74 10.022 -8.426 -4.076 1.00 63.22 C ATOM 1244 CG ASP A 74 10.225 -8.465 -5.582 1.00 73.21 C ATOM 1245 OD1 ASP A 74 10.349 -7.385 -6.199 1.00 14.20 O ATOM 1246 OD2 ASP A 74 10.261 -9.572 -6.157 1.00 12.22 O ATOM 0 H ASP A 74 9.297 -8.142 -1.713 1.00 52.35 H new ATOM 0 HA ASP A 74 8.205 -7.283 -4.202 1.00 2.34 H new ATOM 0 HB2 ASP A 74 10.647 -7.642 -3.649 1.00 63.22 H new ATOM 0 HB3 ASP A 74 10.354 -9.370 -3.643 1.00 63.22 H new ATOM 1251 N GLY A 75 6.411 -9.068 -4.463 1.00 52.44 N ATOM 1252 CA GLY A 75 5.477 -10.112 -4.877 1.00 53.40 C ATOM 1253 C GLY A 75 4.863 -10.850 -3.693 1.00 23.11 C ATOM 1254 O GLY A 75 4.697 -12.072 -3.726 1.00 1.30 O ATOM 0 H GLY A 75 6.021 -8.125 -4.460 1.00 52.44 H new ATOM 0 HA2 GLY A 75 4.682 -9.667 -5.475 1.00 53.40 H new ATOM 0 HA3 GLY A 75 5.996 -10.826 -5.517 1.00 53.40 H new ATOM 1258 N TYR A 76 4.520 -10.101 -2.647 1.00 73.12 N ATOM 1259 CA TYR A 76 3.970 -10.669 -1.415 1.00 74.01 C ATOM 1260 C TYR A 76 2.497 -11.073 -1.594 1.00 1.10 C ATOM 1261 O TYR A 76 1.623 -10.228 -1.785 1.00 52.53 O ATOM 1262 CB TYR A 76 4.153 -9.640 -0.282 1.00 1.32 C ATOM 1263 CG TYR A 76 3.172 -9.739 0.870 1.00 34.04 C ATOM 1264 CD1 TYR A 76 3.199 -10.803 1.767 1.00 11.41 C ATOM 1265 CD2 TYR A 76 2.224 -8.746 1.066 1.00 14.51 C ATOM 1266 CE1 TYR A 76 2.309 -10.865 2.823 1.00 23.35 C ATOM 1267 CE2 TYR A 76 1.340 -8.798 2.115 1.00 33.12 C ATOM 1268 CZ TYR A 76 1.382 -9.860 2.993 1.00 22.43 C ATOM 1269 OH TYR A 76 0.499 -9.913 4.050 1.00 61.32 O ATOM 0 H TYR A 76 4.615 -9.086 -2.628 1.00 73.12 H new ATOM 0 HA TYR A 76 4.504 -11.583 -1.158 1.00 74.01 H new ATOM 0 HB2 TYR A 76 5.162 -9.743 0.116 1.00 1.32 H new ATOM 0 HB3 TYR A 76 4.080 -8.640 -0.711 1.00 1.32 H new ATOM 0 HD1 TYR A 76 3.926 -11.591 1.636 1.00 11.41 H new ATOM 0 HD2 TYR A 76 2.180 -7.914 0.379 1.00 14.51 H new ATOM 0 HE1 TYR A 76 2.340 -11.697 3.511 1.00 23.35 H new ATOM 0 HE2 TYR A 76 0.614 -8.010 2.252 1.00 33.12 H new ATOM 0 HH TYR A 76 -0.385 -9.613 3.753 1.00 61.32 H new ATOM 1279 N ILE A 77 2.236 -12.380 -1.534 1.00 74.54 N ATOM 1280 CA ILE A 77 0.888 -12.917 -1.748 1.00 23.34 C ATOM 1281 C ILE A 77 0.091 -12.976 -0.437 1.00 73.11 C ATOM 1282 O ILE A 77 0.319 -13.848 0.407 1.00 42.42 O ATOM 1283 CB ILE A 77 0.937 -14.334 -2.382 1.00 32.32 C ATOM 1284 CG1 ILE A 77 1.621 -14.283 -3.760 1.00 5.21 C ATOM 1285 CG2 ILE A 77 -0.470 -14.930 -2.499 1.00 61.04 C ATOM 1286 CD1 ILE A 77 0.873 -13.459 -4.790 1.00 2.01 C ATOM 0 H ILE A 77 2.942 -13.090 -1.338 1.00 74.54 H new ATOM 0 HA ILE A 77 0.386 -12.237 -2.436 1.00 23.34 H new ATOM 0 HB ILE A 77 1.523 -14.980 -1.728 1.00 32.32 H new ATOM 0 HG12 ILE A 77 2.624 -13.874 -3.641 1.00 5.21 H new ATOM 0 HG13 ILE A 77 1.734 -15.300 -4.136 1.00 5.21 H new ATOM 0 HG21 ILE A 77 -0.409 -15.922 -2.946 1.00 61.04 H new ATOM 0 HG22 ILE A 77 -0.917 -15.005 -1.508 1.00 61.04 H new ATOM 0 HG23 ILE A 77 -1.087 -14.287 -3.127 1.00 61.04 H new ATOM 0 HD11 ILE A 77 1.419 -13.473 -5.733 1.00 2.01 H new ATOM 0 HD12 ILE A 77 -0.121 -13.880 -4.940 1.00 2.01 H new ATOM 0 HD13 ILE A 77 0.783 -12.431 -4.438 1.00 2.01 H new ATOM 1298 N PHE A 78 -0.838 -12.041 -0.272 1.00 15.51 N ATOM 1299 CA PHE A 78 -1.704 -12.002 0.911 1.00 35.51 C ATOM 1300 C PHE A 78 -3.043 -12.707 0.641 1.00 13.51 C ATOM 1301 O PHE A 78 -3.701 -12.450 -0.368 1.00 10.23 O ATOM 1302 CB PHE A 78 -1.940 -10.546 1.343 1.00 23.24 C ATOM 1303 CG PHE A 78 -2.878 -10.393 2.519 1.00 1.10 C ATOM 1304 CD1 PHE A 78 -2.460 -10.703 3.804 1.00 32.30 C ATOM 1305 CD2 PHE A 78 -4.177 -9.934 2.337 1.00 52.33 C ATOM 1306 CE1 PHE A 78 -3.313 -10.559 4.881 1.00 15.34 C ATOM 1307 CE2 PHE A 78 -5.034 -9.791 3.412 1.00 30.54 C ATOM 1308 CZ PHE A 78 -4.601 -10.102 4.684 1.00 51.13 C ATOM 0 H PHE A 78 -1.015 -11.294 -0.944 1.00 15.51 H new ATOM 0 HA PHE A 78 -1.203 -12.535 1.719 1.00 35.51 H new ATOM 0 HB2 PHE A 78 -0.981 -10.094 1.596 1.00 23.24 H new ATOM 0 HB3 PHE A 78 -2.342 -9.988 0.497 1.00 23.24 H new ATOM 0 HD1 PHE A 78 -1.454 -11.062 3.965 1.00 32.30 H new ATOM 0 HD2 PHE A 78 -4.521 -9.686 1.344 1.00 52.33 H new ATOM 0 HE1 PHE A 78 -2.973 -10.804 5.876 1.00 15.34 H new ATOM 0 HE2 PHE A 78 -6.042 -9.436 3.256 1.00 30.54 H new ATOM 0 HZ PHE A 78 -5.269 -9.988 5.525 1.00 51.13 H new ATOM 1318 N LEU A 79 -3.437 -13.601 1.548 1.00 1.24 N ATOM 1319 CA LEU A 79 -4.704 -14.334 1.426 1.00 33.31 C ATOM 1320 C LEU A 79 -5.705 -13.918 2.515 1.00 60.10 C ATOM 1321 O LEU A 79 -5.551 -14.261 3.690 1.00 13.05 O ATOM 1322 CB LEU A 79 -4.447 -15.846 1.486 1.00 32.45 C ATOM 1323 CG LEU A 79 -3.683 -16.420 0.282 1.00 21.24 C ATOM 1324 CD1 LEU A 79 -3.291 -17.872 0.532 1.00 51.12 C ATOM 1325 CD2 LEU A 79 -4.519 -16.296 -0.992 1.00 12.32 C ATOM 0 H LEU A 79 -2.896 -13.838 2.380 1.00 1.24 H new ATOM 0 HA LEU A 79 -5.144 -14.084 0.461 1.00 33.31 H new ATOM 0 HB2 LEU A 79 -3.886 -16.069 2.394 1.00 32.45 H new ATOM 0 HB3 LEU A 79 -5.405 -16.360 1.569 1.00 32.45 H new ATOM 0 HG LEU A 79 -2.769 -15.841 0.150 1.00 21.24 H new ATOM 0 HD11 LEU A 79 -2.752 -18.257 -0.333 1.00 51.12 H new ATOM 0 HD12 LEU A 79 -2.652 -17.930 1.413 1.00 51.12 H new ATOM 0 HD13 LEU A 79 -4.189 -18.468 0.695 1.00 51.12 H new ATOM 0 HD21 LEU A 79 -3.962 -16.707 -1.834 1.00 12.32 H new ATOM 0 HD22 LEU A 79 -5.452 -16.846 -0.870 1.00 12.32 H new ATOM 0 HD23 LEU A 79 -4.740 -15.246 -1.182 1.00 12.32 H new ATOM 1337 N ASP A 80 -6.728 -13.174 2.109 1.00 41.53 N ATOM 1338 CA ASP A 80 -7.777 -12.710 3.025 1.00 72.53 C ATOM 1339 C ASP A 80 -8.848 -13.804 3.228 1.00 72.22 C ATOM 1340 O ASP A 80 -8.741 -14.892 2.662 1.00 32.43 O ATOM 1341 CB ASP A 80 -8.398 -11.422 2.454 1.00 42.34 C ATOM 1342 CG ASP A 80 -9.492 -10.843 3.331 1.00 51.12 C ATOM 1343 OD1 ASP A 80 -9.174 -10.350 4.431 1.00 60.04 O ATOM 1344 OD2 ASP A 80 -10.673 -10.906 2.931 1.00 21.13 O ATOM 0 H ASP A 80 -6.858 -12.874 1.143 1.00 41.53 H new ATOM 0 HA ASP A 80 -7.344 -12.497 4.003 1.00 72.53 H new ATOM 0 HB2 ASP A 80 -7.614 -10.676 2.323 1.00 42.34 H new ATOM 0 HB3 ASP A 80 -8.807 -11.631 1.466 1.00 42.34 H new ATOM 1349 N SER A 81 -9.862 -13.520 4.049 1.00 41.04 N ATOM 1350 CA SER A 81 -10.987 -14.447 4.274 1.00 50.22 C ATOM 1351 C SER A 81 -11.646 -14.889 2.955 1.00 33.02 C ATOM 1352 O SER A 81 -12.183 -15.994 2.858 1.00 4.12 O ATOM 1353 CB SER A 81 -12.039 -13.792 5.182 1.00 23.41 C ATOM 1354 OG SER A 81 -11.475 -13.405 6.426 1.00 54.23 O ATOM 0 H SER A 81 -9.932 -12.649 4.576 1.00 41.04 H new ATOM 0 HA SER A 81 -10.582 -15.335 4.758 1.00 50.22 H new ATOM 0 HB2 SER A 81 -12.460 -12.919 4.684 1.00 23.41 H new ATOM 0 HB3 SER A 81 -12.860 -14.489 5.353 1.00 23.41 H new ATOM 0 HG SER A 81 -12.166 -12.990 6.983 1.00 54.23 H new ATOM 1360 N LYS A 82 -11.611 -14.018 1.944 1.00 71.31 N ATOM 1361 CA LYS A 82 -12.126 -14.353 0.605 1.00 40.25 C ATOM 1362 C LYS A 82 -11.242 -15.387 -0.116 1.00 72.41 C ATOM 1363 O LYS A 82 -11.674 -16.019 -1.077 1.00 21.44 O ATOM 1364 CB LYS A 82 -12.245 -13.082 -0.248 1.00 1.23 C ATOM 1365 CG LYS A 82 -13.453 -12.218 0.100 1.00 63.54 C ATOM 1366 CD LYS A 82 -14.762 -12.895 -0.301 1.00 70.22 C ATOM 1367 CE LYS A 82 -15.977 -12.042 0.040 1.00 2.35 C ATOM 1368 NZ LYS A 82 -16.190 -11.908 1.508 1.00 23.32 N ATOM 0 H LYS A 82 -11.232 -13.074 2.022 1.00 71.31 H new ATOM 0 HA LYS A 82 -13.111 -14.800 0.739 1.00 40.25 H new ATOM 0 HB2 LYS A 82 -11.339 -12.489 -0.127 1.00 1.23 H new ATOM 0 HB3 LYS A 82 -12.303 -13.365 -1.299 1.00 1.23 H new ATOM 0 HG2 LYS A 82 -13.460 -12.016 1.171 1.00 63.54 H new ATOM 0 HG3 LYS A 82 -13.371 -11.256 -0.405 1.00 63.54 H new ATOM 0 HD2 LYS A 82 -14.751 -13.098 -1.372 1.00 70.22 H new ATOM 0 HD3 LYS A 82 -14.842 -13.857 0.205 1.00 70.22 H new ATOM 0 HE2 LYS A 82 -15.855 -11.051 -0.397 1.00 2.35 H new ATOM 0 HE3 LYS A 82 -16.865 -12.483 -0.413 1.00 2.35 H new ATOM 0 HZ1 LYS A 82 -16.348 -10.908 1.746 1.00 23.32 H new ATOM 0 HZ2 LYS A 82 -17.021 -12.466 1.791 1.00 23.32 H new ATOM 0 HZ3 LYS A 82 -15.351 -12.256 2.014 1.00 23.32 H new ATOM 1382 N GLY A 83 -10.005 -15.545 0.348 1.00 1.23 N ATOM 1383 CA GLY A 83 -9.080 -16.502 -0.258 1.00 72.53 C ATOM 1384 C GLY A 83 -8.483 -16.021 -1.580 1.00 70.02 C ATOM 1385 O GLY A 83 -7.823 -16.786 -2.284 1.00 64.41 O ATOM 0 H GLY A 83 -9.620 -15.026 1.137 1.00 1.23 H new ATOM 0 HA2 GLY A 83 -8.271 -16.707 0.443 1.00 72.53 H new ATOM 0 HA3 GLY A 83 -9.603 -17.444 -0.426 1.00 72.53 H new ATOM 1389 N LEU A 84 -8.715 -14.755 -1.917 1.00 24.53 N ATOM 1390 CA LEU A 84 -8.185 -14.164 -3.152 1.00 70.34 C ATOM 1391 C LEU A 84 -6.702 -13.791 -3.002 1.00 35.22 C ATOM 1392 O LEU A 84 -6.317 -13.113 -2.049 1.00 25.44 O ATOM 1393 CB LEU A 84 -8.998 -12.916 -3.529 1.00 72.43 C ATOM 1394 CG LEU A 84 -10.500 -13.156 -3.775 1.00 54.32 C ATOM 1395 CD1 LEU A 84 -11.211 -11.844 -4.103 1.00 50.03 C ATOM 1396 CD2 LEU A 84 -10.708 -14.181 -4.890 1.00 63.32 C ATOM 0 H LEU A 84 -9.269 -14.112 -1.351 1.00 24.53 H new ATOM 0 HA LEU A 84 -8.271 -14.909 -3.943 1.00 70.34 H new ATOM 0 HB2 LEU A 84 -8.891 -12.179 -2.733 1.00 72.43 H new ATOM 0 HB3 LEU A 84 -8.565 -12.479 -4.429 1.00 72.43 H new ATOM 0 HG LEU A 84 -10.936 -13.557 -2.860 1.00 54.32 H new ATOM 0 HD11 LEU A 84 -12.270 -12.037 -4.273 1.00 50.03 H new ATOM 0 HD12 LEU A 84 -11.098 -11.151 -3.270 1.00 50.03 H new ATOM 0 HD13 LEU A 84 -10.773 -11.407 -5.001 1.00 50.03 H new ATOM 0 HD21 LEU A 84 -11.775 -14.336 -5.048 1.00 63.32 H new ATOM 0 HD22 LEU A 84 -10.255 -13.814 -5.811 1.00 63.32 H new ATOM 0 HD23 LEU A 84 -10.242 -15.125 -4.608 1.00 63.32 H new ATOM 1408 N GLU A 85 -5.873 -14.241 -3.944 1.00 33.14 N ATOM 1409 CA GLU A 85 -4.444 -13.912 -3.939 1.00 74.22 C ATOM 1410 C GLU A 85 -4.213 -12.427 -4.247 1.00 32.55 C ATOM 1411 O GLU A 85 -4.408 -11.980 -5.381 1.00 51.45 O ATOM 1412 CB GLU A 85 -3.689 -14.765 -4.972 1.00 34.12 C ATOM 1413 CG GLU A 85 -3.699 -16.261 -4.677 1.00 34.51 C ATOM 1414 CD GLU A 85 -3.086 -17.074 -5.805 1.00 21.30 C ATOM 1415 OE1 GLU A 85 -3.827 -17.452 -6.738 1.00 50.24 O ATOM 1416 OE2 GLU A 85 -1.860 -17.325 -5.779 1.00 13.43 O ATOM 0 H GLU A 85 -6.164 -14.834 -4.721 1.00 33.14 H new ATOM 0 HA GLU A 85 -4.064 -14.127 -2.940 1.00 74.22 H new ATOM 0 HB2 GLU A 85 -4.128 -14.597 -5.955 1.00 34.12 H new ATOM 0 HB3 GLU A 85 -2.655 -14.423 -5.022 1.00 34.12 H new ATOM 0 HG2 GLU A 85 -3.150 -16.451 -3.755 1.00 34.51 H new ATOM 0 HG3 GLU A 85 -4.725 -16.590 -4.511 1.00 34.51 H new ATOM 1423 N TYR A 86 -3.826 -11.663 -3.233 1.00 42.12 N ATOM 1424 CA TYR A 86 -3.441 -10.263 -3.427 1.00 42.32 C ATOM 1425 C TYR A 86 -1.920 -10.151 -3.627 1.00 42.32 C ATOM 1426 O TYR A 86 -1.155 -10.261 -2.665 1.00 51.41 O ATOM 1427 CB TYR A 86 -3.877 -9.414 -2.225 1.00 42.43 C ATOM 1428 CG TYR A 86 -5.370 -9.475 -1.946 1.00 33.53 C ATOM 1429 CD1 TYR A 86 -6.275 -8.759 -2.725 1.00 74.43 C ATOM 1430 CD2 TYR A 86 -5.872 -10.247 -0.904 1.00 53.41 C ATOM 1431 CE1 TYR A 86 -7.633 -8.815 -2.472 1.00 22.21 C ATOM 1432 CE2 TYR A 86 -7.226 -10.307 -0.647 1.00 44.41 C ATOM 1433 CZ TYR A 86 -8.103 -9.589 -1.431 1.00 4.04 C ATOM 1434 OH TYR A 86 -9.455 -9.649 -1.173 1.00 12.41 O ATOM 0 H TYR A 86 -3.769 -11.985 -2.267 1.00 42.12 H new ATOM 0 HA TYR A 86 -3.943 -9.889 -4.319 1.00 42.32 H new ATOM 0 HB2 TYR A 86 -3.337 -9.748 -1.340 1.00 42.43 H new ATOM 0 HB3 TYR A 86 -3.591 -8.377 -2.400 1.00 42.43 H new ATOM 0 HD1 TYR A 86 -5.911 -8.151 -3.539 1.00 74.43 H new ATOM 0 HD2 TYR A 86 -5.189 -10.810 -0.285 1.00 53.41 H new ATOM 0 HE1 TYR A 86 -8.323 -8.255 -3.086 1.00 22.21 H new ATOM 0 HE2 TYR A 86 -7.597 -10.914 0.165 1.00 44.41 H new ATOM 0 HH TYR A 86 -9.616 -10.239 -0.408 1.00 12.41 H new ATOM 1444 N PRO A 87 -1.457 -9.948 -4.880 1.00 73.32 N ATOM 1445 CA PRO A 87 -0.033 -9.880 -5.199 1.00 34.22 C ATOM 1446 C PRO A 87 0.553 -8.482 -4.971 1.00 14.34 C ATOM 1447 O PRO A 87 0.539 -7.630 -5.864 1.00 20.35 O ATOM 1448 CB PRO A 87 0.028 -10.271 -6.690 1.00 71.21 C ATOM 1449 CG PRO A 87 -1.397 -10.327 -7.172 1.00 42.44 C ATOM 1450 CD PRO A 87 -2.269 -9.754 -6.084 1.00 15.22 C ATOM 0 HA PRO A 87 0.558 -10.534 -4.558 1.00 34.22 H new ATOM 0 HB2 PRO A 87 0.603 -9.541 -7.260 1.00 71.21 H new ATOM 0 HB3 PRO A 87 0.520 -11.235 -6.819 1.00 71.21 H new ATOM 0 HG2 PRO A 87 -1.512 -9.758 -8.094 1.00 42.44 H new ATOM 0 HG3 PRO A 87 -1.686 -11.354 -7.393 1.00 42.44 H new ATOM 0 HD2 PRO A 87 -2.491 -8.701 -6.256 1.00 15.22 H new ATOM 0 HD3 PRO A 87 -3.224 -10.274 -6.016 1.00 15.22 H new ATOM 1458 N ALA A 88 1.040 -8.244 -3.763 1.00 5.53 N ATOM 1459 CA ALA A 88 1.650 -6.964 -3.420 1.00 41.15 C ATOM 1460 C ALA A 88 3.046 -6.829 -4.044 1.00 71.11 C ATOM 1461 O ALA A 88 4.020 -7.373 -3.528 1.00 34.30 O ATOM 1462 CB ALA A 88 1.721 -6.812 -1.905 1.00 41.34 C ATOM 0 H ALA A 88 1.026 -8.921 -3.000 1.00 5.53 H new ATOM 0 HA ALA A 88 1.028 -6.167 -3.827 1.00 41.15 H new ATOM 0 HB1 ALA A 88 2.178 -5.854 -1.656 1.00 41.34 H new ATOM 0 HB2 ALA A 88 0.715 -6.854 -1.488 1.00 41.34 H new ATOM 0 HB3 ALA A 88 2.321 -7.620 -1.486 1.00 41.34 H new ATOM 1468 N VAL A 89 3.130 -6.138 -5.179 1.00 64.35 N ATOM 1469 CA VAL A 89 4.418 -5.881 -5.831 1.00 23.41 C ATOM 1470 C VAL A 89 4.822 -4.406 -5.686 1.00 30.10 C ATOM 1471 O VAL A 89 4.304 -3.530 -6.381 1.00 33.11 O ATOM 1472 CB VAL A 89 4.396 -6.273 -7.330 1.00 25.32 C ATOM 1473 CG1 VAL A 89 5.761 -6.023 -7.974 1.00 42.43 C ATOM 1474 CG2 VAL A 89 3.980 -7.734 -7.493 1.00 44.15 C ATOM 0 H VAL A 89 2.325 -5.746 -5.667 1.00 64.35 H new ATOM 0 HA VAL A 89 5.157 -6.505 -5.328 1.00 23.41 H new ATOM 0 HB VAL A 89 3.662 -5.648 -7.839 1.00 25.32 H new ATOM 0 HG11 VAL A 89 5.724 -6.305 -9.026 1.00 42.43 H new ATOM 0 HG12 VAL A 89 6.015 -4.966 -7.890 1.00 42.43 H new ATOM 0 HG13 VAL A 89 6.518 -6.620 -7.465 1.00 42.43 H new ATOM 0 HG21 VAL A 89 3.970 -7.993 -8.552 1.00 44.15 H new ATOM 0 HG22 VAL A 89 4.689 -8.375 -6.969 1.00 44.15 H new ATOM 0 HG23 VAL A 89 2.984 -7.878 -7.074 1.00 44.15 H new ATOM 1484 N VAL A 90 5.734 -4.148 -4.755 1.00 40.34 N ATOM 1485 CA VAL A 90 6.194 -2.789 -4.455 1.00 73.41 C ATOM 1486 C VAL A 90 7.271 -2.305 -5.456 1.00 75.05 C ATOM 1487 O VAL A 90 8.256 -3.001 -5.719 1.00 3.41 O ATOM 1488 CB VAL A 90 6.744 -2.720 -3.003 1.00 20.54 C ATOM 1489 CG1 VAL A 90 7.902 -3.699 -2.804 1.00 61.42 C ATOM 1490 CG2 VAL A 90 7.161 -1.299 -2.636 1.00 52.34 C ATOM 0 H VAL A 90 6.177 -4.870 -4.186 1.00 40.34 H new ATOM 0 HA VAL A 90 5.336 -2.124 -4.552 1.00 73.41 H new ATOM 0 HB VAL A 90 5.938 -3.014 -2.331 1.00 20.54 H new ATOM 0 HG11 VAL A 90 8.266 -3.628 -1.779 1.00 61.42 H new ATOM 0 HG12 VAL A 90 7.557 -4.715 -2.997 1.00 61.42 H new ATOM 0 HG13 VAL A 90 8.709 -3.453 -3.494 1.00 61.42 H new ATOM 0 HG21 VAL A 90 7.541 -1.284 -1.615 1.00 52.34 H new ATOM 0 HG22 VAL A 90 7.941 -0.961 -3.319 1.00 52.34 H new ATOM 0 HG23 VAL A 90 6.299 -0.636 -2.712 1.00 52.34 H new ATOM 1500 N GLU A 91 7.072 -1.108 -6.015 1.00 40.10 N ATOM 1501 CA GLU A 91 8.034 -0.506 -6.956 1.00 4.31 C ATOM 1502 C GLU A 91 8.112 1.017 -6.752 1.00 32.42 C ATOM 1503 O GLU A 91 7.107 1.663 -6.470 1.00 41.33 O ATOM 1504 CB GLU A 91 7.644 -0.825 -8.412 1.00 22.53 C ATOM 1505 CG GLU A 91 6.247 -0.350 -8.803 1.00 30.13 C ATOM 1506 CD GLU A 91 5.935 -0.585 -10.273 1.00 72.33 C ATOM 1507 OE1 GLU A 91 5.693 -1.749 -10.658 1.00 13.32 O ATOM 1508 OE2 GLU A 91 5.933 0.389 -11.056 1.00 23.50 O ATOM 0 H GLU A 91 6.251 -0.531 -5.834 1.00 40.10 H new ATOM 0 HA GLU A 91 9.015 -0.936 -6.756 1.00 4.31 H new ATOM 0 HB2 GLU A 91 8.372 -0.366 -9.081 1.00 22.53 H new ATOM 0 HB3 GLU A 91 7.706 -1.902 -8.565 1.00 22.53 H new ATOM 0 HG2 GLU A 91 5.508 -0.868 -8.192 1.00 30.13 H new ATOM 0 HG3 GLU A 91 6.155 0.713 -8.582 1.00 30.13 H new ATOM 1515 N PHE A 92 9.306 1.589 -6.891 1.00 63.14 N ATOM 1516 CA PHE A 92 9.513 3.024 -6.630 1.00 31.11 C ATOM 1517 C PHE A 92 8.761 3.926 -7.631 1.00 5.52 C ATOM 1518 O PHE A 92 8.419 3.506 -8.738 1.00 44.22 O ATOM 1519 CB PHE A 92 11.012 3.357 -6.638 1.00 63.42 C ATOM 1520 CG PHE A 92 11.701 3.103 -7.957 1.00 25.53 C ATOM 1521 CD1 PHE A 92 12.121 1.827 -8.297 1.00 60.25 C ATOM 1522 CD2 PHE A 92 11.934 4.139 -8.850 1.00 14.34 C ATOM 1523 CE1 PHE A 92 12.757 1.589 -9.498 1.00 0.22 C ATOM 1524 CE2 PHE A 92 12.569 3.906 -10.053 1.00 12.45 C ATOM 1525 CZ PHE A 92 12.981 2.628 -10.377 1.00 3.00 C ATOM 0 H PHE A 92 10.146 1.089 -7.181 1.00 63.14 H new ATOM 0 HA PHE A 92 9.099 3.229 -5.643 1.00 31.11 H new ATOM 0 HB2 PHE A 92 11.140 4.406 -6.371 1.00 63.42 H new ATOM 0 HB3 PHE A 92 11.506 2.769 -5.865 1.00 63.42 H new ATOM 0 HD1 PHE A 92 11.948 1.009 -7.614 1.00 60.25 H new ATOM 0 HD2 PHE A 92 11.615 5.140 -8.601 1.00 14.34 H new ATOM 0 HE1 PHE A 92 13.079 0.589 -9.750 1.00 0.22 H new ATOM 0 HE2 PHE A 92 12.743 4.721 -10.740 1.00 12.45 H new ATOM 0 HZ PHE A 92 13.478 2.443 -11.318 1.00 3.00 H new ATOM 1535 N ALA A 93 8.514 5.173 -7.225 1.00 70.41 N ATOM 1536 CA ALA A 93 7.807 6.145 -8.070 1.00 71.21 C ATOM 1537 C ALA A 93 8.703 6.661 -9.214 1.00 35.42 C ATOM 1538 O ALA A 93 9.902 6.866 -9.027 1.00 52.44 O ATOM 1539 CB ALA A 93 7.307 7.309 -7.220 1.00 4.34 C ATOM 0 H ALA A 93 8.793 5.537 -6.314 1.00 70.41 H new ATOM 0 HA ALA A 93 6.955 5.639 -8.523 1.00 71.21 H new ATOM 0 HB1 ALA A 93 6.784 8.025 -7.855 1.00 4.34 H new ATOM 0 HB2 ALA A 93 6.625 6.935 -6.456 1.00 4.34 H new ATOM 0 HB3 ALA A 93 8.154 7.800 -6.741 1.00 4.34 H new ATOM 1545 N PRO A 94 8.133 6.877 -10.414 1.00 2.54 N ATOM 1546 CA PRO A 94 8.899 7.318 -11.597 1.00 63.15 C ATOM 1547 C PRO A 94 9.416 8.764 -11.484 1.00 55.13 C ATOM 1548 O PRO A 94 8.637 9.719 -11.511 1.00 53.30 O ATOM 1549 CB PRO A 94 7.885 7.198 -12.755 1.00 64.54 C ATOM 1550 CG PRO A 94 6.738 6.413 -12.201 1.00 31.22 C ATOM 1551 CD PRO A 94 6.708 6.708 -10.729 1.00 24.54 C ATOM 0 HA PRO A 94 9.798 6.716 -11.730 1.00 63.15 H new ATOM 0 HB2 PRO A 94 7.560 8.181 -13.096 1.00 64.54 H new ATOM 0 HB3 PRO A 94 8.328 6.693 -13.614 1.00 64.54 H new ATOM 0 HG2 PRO A 94 5.801 6.703 -12.676 1.00 31.22 H new ATOM 0 HG3 PRO A 94 6.871 5.347 -12.383 1.00 31.22 H new ATOM 0 HD2 PRO A 94 6.133 7.607 -10.506 1.00 24.54 H new ATOM 0 HD3 PRO A 94 6.260 5.893 -10.160 1.00 24.54 H new ATOM 1559 N PHE A 95 10.734 8.917 -11.354 1.00 62.04 N ATOM 1560 CA PHE A 95 11.360 10.243 -11.305 1.00 62.22 C ATOM 1561 C PHE A 95 11.736 10.716 -12.717 1.00 21.20 C ATOM 1562 O PHE A 95 12.041 9.903 -13.596 1.00 25.00 O ATOM 1563 CB PHE A 95 12.608 10.206 -10.404 1.00 24.02 C ATOM 1564 CG PHE A 95 13.328 11.533 -10.284 1.00 32.12 C ATOM 1565 CD1 PHE A 95 12.852 12.524 -9.436 1.00 71.43 C ATOM 1566 CD2 PHE A 95 14.481 11.786 -11.018 1.00 4.22 C ATOM 1567 CE1 PHE A 95 13.507 13.738 -9.324 1.00 44.53 C ATOM 1568 CE2 PHE A 95 15.137 12.998 -10.910 1.00 31.55 C ATOM 1569 CZ PHE A 95 14.651 13.974 -10.063 1.00 71.24 C ATOM 0 H PHE A 95 11.391 8.140 -11.281 1.00 62.04 H new ATOM 0 HA PHE A 95 10.643 10.949 -10.886 1.00 62.22 H new ATOM 0 HB2 PHE A 95 12.314 9.874 -9.408 1.00 24.02 H new ATOM 0 HB3 PHE A 95 13.303 9.463 -10.795 1.00 24.02 H new ATOM 0 HD1 PHE A 95 11.959 12.345 -8.856 1.00 71.43 H new ATOM 0 HD2 PHE A 95 14.869 11.027 -11.681 1.00 4.22 H new ATOM 0 HE1 PHE A 95 13.125 14.500 -8.660 1.00 44.53 H new ATOM 0 HE2 PHE A 95 16.030 13.182 -11.489 1.00 31.55 H new ATOM 0 HZ PHE A 95 15.164 14.921 -9.978 1.00 71.24 H new ATOM 1579 N GLN A 96 11.712 12.029 -12.934 1.00 22.24 N ATOM 1580 CA GLN A 96 12.093 12.602 -14.231 1.00 15.24 C ATOM 1581 C GLN A 96 12.744 13.986 -14.041 1.00 31.02 C ATOM 1582 O GLN A 96 13.967 14.123 -14.134 1.00 22.34 O ATOM 1583 CB GLN A 96 10.857 12.692 -15.150 1.00 23.21 C ATOM 1584 CG GLN A 96 11.165 12.665 -16.649 1.00 41.33 C ATOM 1585 CD GLN A 96 11.995 13.846 -17.121 1.00 22.32 C ATOM 1586 OE1 GLN A 96 13.220 13.791 -17.149 1.00 53.34 O ATOM 1587 NE2 GLN A 96 11.340 14.923 -17.489 1.00 25.20 N ATOM 0 H GLN A 96 11.435 12.717 -12.234 1.00 22.24 H new ATOM 0 HA GLN A 96 12.828 11.950 -14.704 1.00 15.24 H new ATOM 0 HB2 GLN A 96 10.188 11.864 -14.916 1.00 23.21 H new ATOM 0 HB3 GLN A 96 10.318 13.612 -14.921 1.00 23.21 H new ATOM 0 HG2 GLN A 96 11.694 11.742 -16.886 1.00 41.33 H new ATOM 0 HG3 GLN A 96 10.227 12.646 -17.204 1.00 41.33 H new ATOM 0 HE21 GLN A 96 10.321 14.937 -17.454 1.00 25.20 H new ATOM 0 HE22 GLN A 96 11.851 15.746 -17.810 1.00 25.20 H new ATOM 1596 N LYS A 97 11.922 15.002 -13.760 1.00 32.50 N ATOM 1597 CA LYS A 97 12.415 16.374 -13.544 1.00 31.43 C ATOM 1598 C LYS A 97 11.273 17.321 -13.112 1.00 53.23 C ATOM 1599 O LYS A 97 11.243 17.724 -11.925 1.00 37.45 O ATOM 1600 CB LYS A 97 13.115 16.899 -14.817 1.00 44.21 C ATOM 1601 CG LYS A 97 13.812 18.257 -14.653 1.00 25.41 C ATOM 1602 CD LYS A 97 12.943 19.424 -15.128 1.00 63.02 C ATOM 1603 CE LYS A 97 12.656 19.343 -16.625 1.00 22.34 C ATOM 1604 NZ LYS A 97 13.905 19.314 -17.433 1.00 31.41 N ATOM 1605 OXT LYS A 97 10.405 17.647 -13.954 1.00 37.45 O ATOM 0 H LYS A 97 10.910 14.904 -13.676 1.00 32.50 H new ATOM 0 HA LYS A 97 13.143 16.348 -12.733 1.00 31.43 H new ATOM 0 HB2 LYS A 97 13.853 16.164 -15.139 1.00 44.21 H new ATOM 0 HB3 LYS A 97 12.376 16.979 -15.614 1.00 44.21 H new ATOM 0 HG2 LYS A 97 14.071 18.404 -13.604 1.00 25.41 H new ATOM 0 HG3 LYS A 97 14.746 18.252 -15.214 1.00 25.41 H new ATOM 0 HD2 LYS A 97 12.003 19.425 -14.577 1.00 63.02 H new ATOM 0 HD3 LYS A 97 13.445 20.366 -14.904 1.00 63.02 H new ATOM 0 HE2 LYS A 97 12.069 18.449 -16.833 1.00 22.34 H new ATOM 0 HE3 LYS A 97 12.051 20.198 -16.925 1.00 22.34 H new ATOM 0 HZ1 LYS A 97 13.677 19.497 -18.431 1.00 31.41 H new ATOM 0 HZ2 LYS A 97 14.559 20.045 -17.087 1.00 31.41 H new ATOM 0 HZ3 LYS A 97 14.353 18.379 -17.346 1.00 31.41 H new TER 1619 LYS A 97