USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 32 GLN : amide:sc= 0.169 X(o=0.19,f=-0.057) USER MOD Set 1.2: A 48 TYR OH : rot 131:sc= 0.0251 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.0796 (180deg=-0.133) USER MOD Single : A 3 GLN : amide:sc= -0.979 K(o=-0.98,f=-2.7) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.226 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -73:sc= 0.326 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 13 GLN : amide:sc=-0.00455 X(o=-0.0045,f=-0.42) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.049) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -27:sc= 0.442 USER MOD Single : A 34 SER OG : rot 65:sc= 0.729 USER MOD Single : A 41 ASN : amide:sc= -0.824 K(o=-0.82,f=-8.4!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 47 ASN : amide:sc= -1 K(o=-1,f=-4.9!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -1.89! (180deg=-3.64!) USER MOD Single : A 53 GLN : amide:sc= 0.95 K(o=0.95,f=-0.23) USER MOD Single : A 58 SER OG : rot 150:sc= 0 USER MOD Single : A 61 TYR OH : rot 37:sc= 0.151 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.31 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.0251 (180deg=-0.215) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -2.61! USER MOD Single : A 71 LYS NZ :NH3+ 145:sc= -2.52! (180deg=-4.97!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 24:sc= 0.27 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -31:sc= 0.107 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -0.049 K(o=-0.049,f=-0.84) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HE2:sc= -0.0707 K(o=-0.071,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.338 23.636 17.383 1.00 65.41 N ATOM 2 CA MET A 1 35.630 22.561 18.138 1.00 33.12 C ATOM 3 C MET A 1 34.567 23.132 19.092 1.00 22.31 C ATOM 4 O MET A 1 34.169 22.480 20.057 1.00 61.20 O ATOM 5 CB MET A 1 36.639 21.711 18.923 1.00 33.40 C ATOM 6 CG MET A 1 37.507 20.831 18.038 1.00 63.30 C ATOM 7 SD MET A 1 36.528 19.715 17.013 1.00 63.55 S ATOM 8 CE MET A 1 37.825 18.799 16.181 1.00 14.50 C ATOM 0 H1 MET A 1 37.113 23.218 16.829 1.00 65.41 H new ATOM 0 H2 MET A 1 35.669 24.108 16.742 1.00 65.41 H new ATOM 0 H3 MET A 1 36.726 24.332 18.051 1.00 65.41 H new ATOM 0 HA MET A 1 35.117 21.934 17.409 1.00 33.12 H new ATOM 0 HB2 MET A 1 37.281 22.370 19.508 1.00 33.40 H new ATOM 0 HB3 MET A 1 36.099 21.082 19.631 1.00 33.40 H new ATOM 0 HG2 MET A 1 38.125 21.460 17.398 1.00 63.30 H new ATOM 0 HG3 MET A 1 38.184 20.248 18.662 1.00 63.30 H new ATOM 0 HE1 MET A 1 37.379 18.066 15.509 1.00 14.50 H new ATOM 0 HE2 MET A 1 38.446 19.487 15.607 1.00 14.50 H new ATOM 0 HE3 MET A 1 38.440 18.286 16.920 1.00 14.50 H new ATOM 20 N ASP A 2 34.093 24.343 18.804 1.00 71.22 N ATOM 21 CA ASP A 2 33.037 24.973 19.601 1.00 64.43 C ATOM 22 C ASP A 2 31.741 24.151 19.557 1.00 62.51 C ATOM 23 O ASP A 2 30.979 24.120 20.523 1.00 43.22 O ATOM 24 CB ASP A 2 32.788 26.392 19.090 1.00 43.21 C ATOM 25 CG ASP A 2 34.059 27.218 19.095 1.00 55.01 C ATOM 26 OD1 ASP A 2 34.834 27.127 18.127 1.00 32.24 O ATOM 27 OD2 ASP A 2 34.304 27.939 20.084 1.00 62.25 O ATOM 0 H ASP A 2 34.423 24.910 18.023 1.00 71.22 H new ATOM 0 HA ASP A 2 33.365 25.015 20.640 1.00 64.43 H new ATOM 0 HB2 ASP A 2 32.385 26.349 18.078 1.00 43.21 H new ATOM 0 HB3 ASP A 2 32.036 26.877 19.712 1.00 43.21 H new ATOM 32 N GLN A 3 31.500 23.490 18.424 1.00 61.14 N ATOM 33 CA GLN A 3 30.347 22.596 18.266 1.00 12.33 C ATOM 34 C GLN A 3 30.773 21.128 18.430 1.00 71.21 C ATOM 35 O GLN A 3 31.690 20.657 17.748 1.00 54.03 O ATOM 36 CB GLN A 3 29.692 22.786 16.883 1.00 45.50 C ATOM 37 CG GLN A 3 29.204 24.207 16.597 1.00 14.14 C ATOM 38 CD GLN A 3 30.336 25.197 16.355 1.00 63.52 C ATOM 39 OE1 GLN A 3 31.406 24.833 15.875 1.00 12.41 O ATOM 40 NE2 GLN A 3 30.113 26.450 16.693 1.00 64.22 N ATOM 0 H GLN A 3 32.091 23.556 17.596 1.00 61.14 H new ATOM 0 HA GLN A 3 29.623 22.849 19.041 1.00 12.33 H new ATOM 0 HB2 GLN A 3 30.410 22.501 16.114 1.00 45.50 H new ATOM 0 HB3 GLN A 3 28.847 22.102 16.799 1.00 45.50 H new ATOM 0 HG2 GLN A 3 28.552 24.191 15.723 1.00 14.14 H new ATOM 0 HG3 GLN A 3 28.602 24.553 17.437 1.00 14.14 H new ATOM 0 HE21 GLN A 3 29.212 26.719 17.089 1.00 64.22 H new ATOM 0 HE22 GLN A 3 30.841 27.152 16.558 1.00 64.22 H new ATOM 49 N LYS A 4 30.116 20.411 19.337 1.00 52.22 N ATOM 50 CA LYS A 4 30.408 18.990 19.555 1.00 10.04 C ATOM 51 C LYS A 4 29.693 18.113 18.513 1.00 32.03 C ATOM 52 O LYS A 4 28.468 17.971 18.540 1.00 62.15 O ATOM 53 CB LYS A 4 29.990 18.561 20.971 1.00 0.34 C ATOM 54 CG LYS A 4 30.697 19.324 22.091 1.00 44.11 C ATOM 55 CD LYS A 4 30.304 18.799 23.472 1.00 13.12 C ATOM 56 CE LYS A 4 28.807 18.942 23.733 1.00 34.21 C ATOM 57 NZ LYS A 4 28.414 18.389 25.057 1.00 22.03 N ATOM 0 H LYS A 4 29.379 20.786 19.934 1.00 52.22 H new ATOM 0 HA LYS A 4 31.484 18.853 19.446 1.00 10.04 H new ATOM 0 HB2 LYS A 4 28.914 18.697 21.077 1.00 0.34 H new ATOM 0 HB3 LYS A 4 30.190 17.496 21.090 1.00 0.34 H new ATOM 0 HG2 LYS A 4 31.776 19.239 21.964 1.00 44.11 H new ATOM 0 HG3 LYS A 4 30.450 20.383 22.021 1.00 44.11 H new ATOM 0 HD2 LYS A 4 30.588 17.750 23.555 1.00 13.12 H new ATOM 0 HD3 LYS A 4 30.859 19.341 24.238 1.00 13.12 H new ATOM 0 HE2 LYS A 4 28.530 19.995 23.684 1.00 34.21 H new ATOM 0 HE3 LYS A 4 28.252 18.429 22.947 1.00 34.21 H new ATOM 0 HZ1 LYS A 4 27.390 18.507 25.192 1.00 22.03 H new ATOM 0 HZ2 LYS A 4 28.654 17.378 25.096 1.00 22.03 H new ATOM 0 HZ3 LYS A 4 28.923 18.895 25.810 1.00 22.03 H new ATOM 71 N SER A 5 30.463 17.533 17.592 1.00 70.43 N ATOM 72 CA SER A 5 29.904 16.650 16.554 1.00 33.41 C ATOM 73 C SER A 5 29.294 15.373 17.163 1.00 34.45 C ATOM 74 O SER A 5 29.469 15.091 18.352 1.00 5.52 O ATOM 75 CB SER A 5 30.986 16.264 15.535 1.00 43.13 C ATOM 76 OG SER A 5 30.462 15.398 14.536 1.00 40.44 O ATOM 0 H SER A 5 31.474 17.655 17.539 1.00 70.43 H new ATOM 0 HA SER A 5 29.111 17.204 16.051 1.00 33.41 H new ATOM 0 HB2 SER A 5 31.387 17.163 15.067 1.00 43.13 H new ATOM 0 HB3 SER A 5 31.814 15.774 16.047 1.00 43.13 H new ATOM 0 HG SER A 5 31.170 15.168 13.898 1.00 40.44 H new ATOM 82 N SER A 6 28.592 14.596 16.342 1.00 71.44 N ATOM 83 CA SER A 6 27.946 13.355 16.803 1.00 33.32 C ATOM 84 C SER A 6 28.968 12.332 17.314 1.00 22.20 C ATOM 85 O SER A 6 28.709 11.609 18.278 1.00 54.40 O ATOM 86 CB SER A 6 27.123 12.729 15.670 1.00 71.30 C ATOM 87 OG SER A 6 27.936 12.421 14.547 1.00 63.31 O ATOM 0 H SER A 6 28.452 14.798 15.352 1.00 71.44 H new ATOM 0 HA SER A 6 27.291 13.623 17.632 1.00 33.32 H new ATOM 0 HB2 SER A 6 26.638 11.822 16.029 1.00 71.30 H new ATOM 0 HB3 SER A 6 26.332 13.416 15.371 1.00 71.30 H new ATOM 0 HG SER A 6 27.383 12.022 13.843 1.00 63.31 H new ATOM 93 N SER A 7 30.128 12.278 16.667 1.00 42.32 N ATOM 94 CA SER A 7 31.191 11.335 17.044 1.00 14.10 C ATOM 95 C SER A 7 32.098 11.909 18.149 1.00 15.12 C ATOM 96 O SER A 7 32.825 12.878 17.919 1.00 61.22 O ATOM 97 CB SER A 7 32.048 10.984 15.820 1.00 33.44 C ATOM 98 OG SER A 7 33.020 10.002 16.136 1.00 33.15 O ATOM 0 H SER A 7 30.362 12.876 15.875 1.00 42.32 H new ATOM 0 HA SER A 7 30.706 10.438 17.429 1.00 14.10 H new ATOM 0 HB2 SER A 7 31.407 10.619 15.017 1.00 33.44 H new ATOM 0 HB3 SER A 7 32.542 11.882 15.450 1.00 33.44 H new ATOM 0 HG SER A 7 33.726 10.405 16.683 1.00 33.15 H new ATOM 104 N PRO A 8 32.052 11.341 19.374 1.00 63.22 N ATOM 105 CA PRO A 8 32.973 11.727 20.457 1.00 1.50 C ATOM 106 C PRO A 8 34.364 11.084 20.288 1.00 4.23 C ATOM 107 O PRO A 8 35.386 11.769 20.314 1.00 33.33 O ATOM 108 CB PRO A 8 32.262 11.206 21.712 1.00 4.42 C ATOM 109 CG PRO A 8 31.474 10.028 21.244 1.00 34.32 C ATOM 110 CD PRO A 8 31.093 10.304 19.808 1.00 11.14 C ATOM 0 HA PRO A 8 33.169 12.799 20.485 1.00 1.50 H new ATOM 0 HB2 PRO A 8 32.978 10.922 22.483 1.00 4.42 H new ATOM 0 HB3 PRO A 8 31.614 11.968 22.145 1.00 4.42 H new ATOM 0 HG2 PRO A 8 32.063 9.114 21.319 1.00 34.32 H new ATOM 0 HG3 PRO A 8 30.586 9.887 21.860 1.00 34.32 H new ATOM 0 HD2 PRO A 8 31.172 9.406 19.195 1.00 11.14 H new ATOM 0 HD3 PRO A 8 30.064 10.654 19.729 1.00 11.14 H new ATOM 118 N GLN A 9 34.381 9.764 20.108 1.00 72.34 N ATOM 119 CA GLN A 9 35.609 9.019 19.808 1.00 73.01 C ATOM 120 C GLN A 9 36.064 9.270 18.354 1.00 12.25 C ATOM 121 O GLN A 9 35.250 9.591 17.487 1.00 2.25 O ATOM 122 CB GLN A 9 35.368 7.518 20.041 1.00 51.23 C ATOM 123 CG GLN A 9 34.143 6.976 19.311 1.00 23.41 C ATOM 124 CD GLN A 9 33.955 5.475 19.472 1.00 52.24 C ATOM 125 OE1 GLN A 9 34.911 4.721 19.606 1.00 75.22 O ATOM 126 NE2 GLN A 9 32.714 5.033 19.464 1.00 4.45 N ATOM 0 H GLN A 9 33.547 9.179 20.165 1.00 72.34 H new ATOM 0 HA GLN A 9 36.401 9.365 20.472 1.00 73.01 H new ATOM 0 HB2 GLN A 9 36.248 6.963 19.718 1.00 51.23 H new ATOM 0 HB3 GLN A 9 35.253 7.339 21.110 1.00 51.23 H new ATOM 0 HG2 GLN A 9 33.254 7.487 19.681 1.00 23.41 H new ATOM 0 HG3 GLN A 9 34.228 7.212 18.250 1.00 23.41 H new ATOM 0 HE21 GLN A 9 31.940 5.688 19.350 1.00 4.45 H new ATOM 0 HE22 GLN A 9 32.527 4.036 19.571 1.00 4.45 H new ATOM 135 N PRO A 10 37.370 9.130 18.064 1.00 74.41 N ATOM 136 CA PRO A 10 37.909 9.385 16.716 1.00 1.11 C ATOM 137 C PRO A 10 37.424 8.378 15.653 1.00 1.52 C ATOM 138 O PRO A 10 37.321 7.176 15.914 1.00 25.11 O ATOM 139 CB PRO A 10 39.430 9.272 16.919 1.00 71.41 C ATOM 140 CG PRO A 10 39.589 8.405 18.124 1.00 25.31 C ATOM 141 CD PRO A 10 38.424 8.731 19.018 1.00 52.40 C ATOM 0 HA PRO A 10 37.578 10.350 16.333 1.00 1.11 H new ATOM 0 HB2 PRO A 10 39.914 8.831 16.048 1.00 71.41 H new ATOM 0 HB3 PRO A 10 39.883 10.251 17.074 1.00 71.41 H new ATOM 0 HG2 PRO A 10 39.589 7.350 17.850 1.00 25.31 H new ATOM 0 HG3 PRO A 10 40.536 8.603 18.627 1.00 25.31 H new ATOM 0 HD2 PRO A 10 38.122 7.871 19.616 1.00 52.40 H new ATOM 0 HD3 PRO A 10 38.663 9.535 19.714 1.00 52.40 H new ATOM 149 N ALA A 11 37.101 8.899 14.462 1.00 75.31 N ATOM 150 CA ALA A 11 36.778 8.079 13.277 1.00 25.22 C ATOM 151 C ALA A 11 35.400 7.390 13.341 1.00 73.31 C ATOM 152 O ALA A 11 34.990 6.748 12.375 1.00 51.02 O ATOM 153 CB ALA A 11 37.875 7.046 13.030 1.00 40.32 C ATOM 0 H ALA A 11 37.055 9.903 14.288 1.00 75.31 H new ATOM 0 HA ALA A 11 36.725 8.776 12.440 1.00 25.22 H new ATOM 0 HB1 ALA A 11 37.622 6.449 12.153 1.00 40.32 H new ATOM 0 HB2 ALA A 11 38.823 7.556 12.861 1.00 40.32 H new ATOM 0 HB3 ALA A 11 37.963 6.394 13.899 1.00 40.32 H new ATOM 159 N ALA A 12 34.678 7.525 14.452 1.00 14.51 N ATOM 160 CA ALA A 12 33.345 6.909 14.575 1.00 35.44 C ATOM 161 C ALA A 12 32.267 7.745 13.860 1.00 53.35 C ATOM 162 O ALA A 12 31.281 8.176 14.466 1.00 33.15 O ATOM 163 CB ALA A 12 32.990 6.715 16.044 1.00 73.30 C ATOM 0 H ALA A 12 34.983 8.047 15.274 1.00 14.51 H new ATOM 0 HA ALA A 12 33.378 5.934 14.088 1.00 35.44 H new ATOM 0 HB1 ALA A 12 32.003 6.259 16.123 1.00 73.30 H new ATOM 0 HB2 ALA A 12 33.728 6.065 16.514 1.00 73.30 H new ATOM 0 HB3 ALA A 12 32.984 7.682 16.548 1.00 73.30 H new ATOM 169 N GLN A 13 32.443 7.942 12.556 1.00 34.45 N ATOM 170 CA GLN A 13 31.565 8.821 11.776 1.00 42.32 C ATOM 171 C GLN A 13 30.243 8.131 11.389 1.00 5.42 C ATOM 172 O GLN A 13 30.167 6.899 11.298 1.00 33.34 O ATOM 173 CB GLN A 13 32.298 9.298 10.515 1.00 41.34 C ATOM 174 CG GLN A 13 33.646 9.961 10.793 1.00 63.15 C ATOM 175 CD GLN A 13 33.554 11.168 11.717 1.00 14.20 C ATOM 176 OE1 GLN A 13 32.547 11.869 11.760 1.00 14.34 O ATOM 177 NE2 GLN A 13 34.609 11.422 12.463 1.00 54.44 N ATOM 0 H GLN A 13 33.187 7.505 12.012 1.00 34.45 H new ATOM 0 HA GLN A 13 31.312 9.675 12.404 1.00 42.32 H new ATOM 0 HB2 GLN A 13 32.453 8.446 9.853 1.00 41.34 H new ATOM 0 HB3 GLN A 13 31.661 10.004 9.982 1.00 41.34 H new ATOM 0 HG2 GLN A 13 34.318 9.226 11.235 1.00 63.15 H new ATOM 0 HG3 GLN A 13 34.091 10.271 9.847 1.00 63.15 H new ATOM 0 HE21 GLN A 13 35.431 10.821 12.405 1.00 54.44 H new ATOM 0 HE22 GLN A 13 34.604 12.220 13.099 1.00 54.44 H new ATOM 186 N ALA A 14 29.208 8.938 11.150 1.00 11.45 N ATOM 187 CA ALA A 14 27.873 8.426 10.805 1.00 22.32 C ATOM 188 C ALA A 14 27.650 8.376 9.280 1.00 70.44 C ATOM 189 O ALA A 14 28.238 9.168 8.533 1.00 1.32 O ATOM 190 CB ALA A 14 26.800 9.290 11.468 1.00 43.23 C ATOM 0 H ALA A 14 29.266 9.956 11.188 1.00 11.45 H new ATOM 0 HA ALA A 14 27.802 7.404 11.177 1.00 22.32 H new ATOM 0 HB1 ALA A 14 25.813 8.907 11.209 1.00 43.23 H new ATOM 0 HB2 ALA A 14 26.928 9.262 12.550 1.00 43.23 H new ATOM 0 HB3 ALA A 14 26.893 10.318 11.118 1.00 43.23 H new ATOM 196 N PRO A 15 26.793 7.447 8.794 1.00 12.41 N ATOM 197 CA PRO A 15 26.496 7.295 7.351 1.00 14.12 C ATOM 198 C PRO A 15 25.707 8.483 6.752 1.00 61.14 C ATOM 199 O PRO A 15 25.622 9.560 7.345 1.00 14.41 O ATOM 200 CB PRO A 15 25.645 6.007 7.290 1.00 34.10 C ATOM 201 CG PRO A 15 25.833 5.342 8.617 1.00 64.22 C ATOM 202 CD PRO A 15 26.057 6.456 9.600 1.00 50.11 C ATOM 0 HA PRO A 15 27.415 7.256 6.766 1.00 14.12 H new ATOM 0 HB2 PRO A 15 24.595 6.238 7.112 1.00 34.10 H new ATOM 0 HB3 PRO A 15 25.971 5.359 6.476 1.00 34.10 H new ATOM 0 HG2 PRO A 15 24.957 4.751 8.887 1.00 64.22 H new ATOM 0 HG3 PRO A 15 26.683 4.660 8.597 1.00 64.22 H new ATOM 0 HD2 PRO A 15 25.118 6.858 9.979 1.00 50.11 H new ATOM 0 HD3 PRO A 15 26.634 6.126 10.464 1.00 50.11 H new ATOM 210 N GLU A 16 25.131 8.275 5.564 1.00 44.34 N ATOM 211 CA GLU A 16 24.366 9.324 4.872 1.00 60.00 C ATOM 212 C GLU A 16 23.010 9.598 5.552 1.00 41.02 C ATOM 213 O GLU A 16 22.684 9.010 6.588 1.00 22.10 O ATOM 214 CB GLU A 16 24.135 8.931 3.404 1.00 62.11 C ATOM 215 CG GLU A 16 25.421 8.689 2.620 1.00 31.31 C ATOM 216 CD GLU A 16 25.158 8.339 1.164 1.00 20.34 C ATOM 217 OE1 GLU A 16 25.034 9.268 0.337 1.00 42.22 O ATOM 218 OE2 GLU A 16 25.069 7.135 0.839 1.00 70.45 O ATOM 0 H GLU A 16 25.178 7.390 5.059 1.00 44.34 H new ATOM 0 HA GLU A 16 24.956 10.239 4.922 1.00 60.00 H new ATOM 0 HB2 GLU A 16 23.526 8.028 3.371 1.00 62.11 H new ATOM 0 HB3 GLU A 16 23.564 9.719 2.913 1.00 62.11 H new ATOM 0 HG2 GLU A 16 26.046 9.581 2.669 1.00 31.31 H new ATOM 0 HG3 GLU A 16 25.982 7.881 3.089 1.00 31.31 H new ATOM 225 N THR A 17 22.226 10.498 4.963 1.00 32.54 N ATOM 226 CA THR A 17 20.903 10.849 5.496 1.00 74.34 C ATOM 227 C THR A 17 19.817 9.882 4.998 1.00 0.45 C ATOM 228 O THR A 17 19.602 9.735 3.795 1.00 44.11 O ATOM 229 CB THR A 17 20.504 12.296 5.115 1.00 63.02 C ATOM 230 OG1 THR A 17 21.474 13.226 5.627 1.00 20.35 O ATOM 231 CG2 THR A 17 19.124 12.658 5.663 1.00 24.22 C ATOM 0 H THR A 17 22.481 11.001 4.113 1.00 32.54 H new ATOM 0 HA THR A 17 20.977 10.772 6.581 1.00 74.34 H new ATOM 0 HB THR A 17 20.471 12.354 4.027 1.00 63.02 H new ATOM 0 HG1 THR A 17 21.215 14.138 5.380 1.00 20.35 H new ATOM 0 HG21 THR A 17 18.876 13.680 5.377 1.00 24.22 H new ATOM 0 HG22 THR A 17 18.379 11.975 5.253 1.00 24.22 H new ATOM 0 HG23 THR A 17 19.131 12.577 6.750 1.00 24.22 H new ATOM 239 N LYS A 18 19.134 9.226 5.937 1.00 5.23 N ATOM 240 CA LYS A 18 18.044 8.299 5.613 1.00 54.22 C ATOM 241 C LYS A 18 16.702 8.823 6.144 1.00 62.32 C ATOM 242 O LYS A 18 16.633 9.386 7.238 1.00 4.55 O ATOM 243 CB LYS A 18 18.324 6.919 6.225 1.00 42.14 C ATOM 244 CG LYS A 18 17.266 5.865 5.888 1.00 2.41 C ATOM 245 CD LYS A 18 17.440 4.599 6.724 1.00 41.43 C ATOM 246 CE LYS A 18 17.208 4.874 8.206 1.00 34.44 C ATOM 247 NZ LYS A 18 17.370 3.654 9.034 1.00 4.44 N ATOM 0 H LYS A 18 19.317 9.319 6.936 1.00 5.23 H new ATOM 0 HA LYS A 18 17.986 8.215 4.528 1.00 54.22 H new ATOM 0 HB2 LYS A 18 19.296 6.568 5.877 1.00 42.14 H new ATOM 0 HB3 LYS A 18 18.391 7.019 7.308 1.00 42.14 H new ATOM 0 HG2 LYS A 18 16.273 6.280 6.059 1.00 2.41 H new ATOM 0 HG3 LYS A 18 17.328 5.613 4.829 1.00 2.41 H new ATOM 0 HD2 LYS A 18 16.742 3.836 6.380 1.00 41.43 H new ATOM 0 HD3 LYS A 18 18.444 4.201 6.579 1.00 41.43 H new ATOM 0 HE2 LYS A 18 17.908 5.637 8.546 1.00 34.44 H new ATOM 0 HE3 LYS A 18 16.205 5.276 8.347 1.00 34.44 H new ATOM 0 HZ1 LYS A 18 17.203 3.888 10.033 1.00 4.44 H new ATOM 0 HZ2 LYS A 18 16.685 2.933 8.728 1.00 4.44 H new ATOM 0 HZ3 LYS A 18 18.335 3.284 8.922 1.00 4.44 H new ATOM 261 N GLN A 19 15.637 8.638 5.372 1.00 54.13 N ATOM 262 CA GLN A 19 14.290 9.007 5.822 1.00 24.22 C ATOM 263 C GLN A 19 13.635 7.835 6.573 1.00 21.43 C ATOM 264 O GLN A 19 13.753 6.680 6.162 1.00 51.13 O ATOM 265 CB GLN A 19 13.421 9.428 4.627 1.00 42.43 C ATOM 266 CG GLN A 19 14.003 10.573 3.801 1.00 15.11 C ATOM 267 CD GLN A 19 14.288 11.815 4.631 1.00 22.13 C ATOM 268 OE1 GLN A 19 13.428 12.671 4.807 1.00 33.51 O ATOM 269 NE2 GLN A 19 15.497 11.929 5.142 1.00 21.20 N ATOM 0 H GLN A 19 15.674 8.237 4.435 1.00 54.13 H new ATOM 0 HA GLN A 19 14.374 9.853 6.504 1.00 24.22 H new ATOM 0 HB2 GLN A 19 13.274 8.565 3.978 1.00 42.43 H new ATOM 0 HB3 GLN A 19 12.438 9.723 4.993 1.00 42.43 H new ATOM 0 HG2 GLN A 19 14.926 10.240 3.326 1.00 15.11 H new ATOM 0 HG3 GLN A 19 13.307 10.828 3.002 1.00 15.11 H new ATOM 0 HE21 GLN A 19 16.191 11.200 4.978 1.00 21.20 H new ATOM 0 HE22 GLN A 19 15.739 12.747 5.702 1.00 21.20 H new ATOM 278 N ALA A 20 12.955 8.134 7.678 1.00 53.35 N ATOM 279 CA ALA A 20 12.353 7.093 8.527 1.00 5.44 C ATOM 280 C ALA A 20 10.852 6.909 8.244 1.00 3.04 C ATOM 281 O ALA A 20 10.079 7.867 8.298 1.00 11.04 O ATOM 282 CB ALA A 20 12.577 7.428 10.000 1.00 51.03 C ATOM 0 H ALA A 20 12.804 9.086 8.011 1.00 53.35 H new ATOM 0 HA ALA A 20 12.844 6.150 8.289 1.00 5.44 H new ATOM 0 HB1 ALA A 20 12.129 6.653 10.622 1.00 51.03 H new ATOM 0 HB2 ALA A 20 13.647 7.482 10.202 1.00 51.03 H new ATOM 0 HB3 ALA A 20 12.116 8.389 10.229 1.00 51.03 H new ATOM 288 N PHE A 21 10.449 5.668 7.961 1.00 65.11 N ATOM 289 CA PHE A 21 9.041 5.337 7.690 1.00 2.51 C ATOM 290 C PHE A 21 8.165 5.471 8.951 1.00 14.03 C ATOM 291 O PHE A 21 8.358 4.739 9.926 1.00 34.22 O ATOM 292 CB PHE A 21 8.935 3.893 7.172 1.00 24.31 C ATOM 293 CG PHE A 21 9.618 3.646 5.852 1.00 34.00 C ATOM 294 CD1 PHE A 21 9.091 4.158 4.676 1.00 11.52 C ATOM 295 CD2 PHE A 21 10.781 2.890 5.786 1.00 65.04 C ATOM 296 CE1 PHE A 21 9.711 3.923 3.466 1.00 44.23 C ATOM 297 CE2 PHE A 21 11.404 2.655 4.577 1.00 32.22 C ATOM 298 CZ PHE A 21 10.867 3.169 3.416 1.00 74.24 C ATOM 0 H PHE A 21 11.080 4.868 7.913 1.00 65.11 H new ATOM 0 HA PHE A 21 8.681 6.043 6.941 1.00 2.51 H new ATOM 0 HB2 PHE A 21 9.361 3.222 7.917 1.00 24.31 H new ATOM 0 HB3 PHE A 21 7.881 3.633 7.075 1.00 24.31 H new ATOM 0 HD1 PHE A 21 8.186 4.747 4.708 1.00 11.52 H new ATOM 0 HD2 PHE A 21 11.203 2.481 6.692 1.00 65.04 H new ATOM 0 HE1 PHE A 21 9.292 4.329 2.557 1.00 44.23 H new ATOM 0 HE2 PHE A 21 12.311 2.069 4.541 1.00 32.22 H new ATOM 0 HZ PHE A 21 11.350 2.982 2.468 1.00 74.24 H new ATOM 308 N PRO A 22 7.189 6.403 8.959 1.00 14.33 N ATOM 309 CA PRO A 22 6.211 6.486 10.047 1.00 33.54 C ATOM 310 C PRO A 22 5.092 5.444 9.880 1.00 23.31 C ATOM 311 O PRO A 22 4.138 5.649 9.129 1.00 44.11 O ATOM 312 CB PRO A 22 5.667 7.912 9.913 1.00 72.44 C ATOM 313 CG PRO A 22 5.782 8.225 8.453 1.00 65.00 C ATOM 314 CD PRO A 22 6.979 7.454 7.940 1.00 10.33 C ATOM 0 HA PRO A 22 6.644 6.281 11.026 1.00 33.54 H new ATOM 0 HB2 PRO A 22 4.633 7.975 10.252 1.00 72.44 H new ATOM 0 HB3 PRO A 22 6.243 8.614 10.516 1.00 72.44 H new ATOM 0 HG2 PRO A 22 4.876 7.933 7.921 1.00 65.00 H new ATOM 0 HG3 PRO A 22 5.914 9.295 8.295 1.00 65.00 H new ATOM 0 HD2 PRO A 22 6.786 7.024 6.957 1.00 10.33 H new ATOM 0 HD3 PRO A 22 7.855 8.095 7.841 1.00 10.33 H new ATOM 322 N ARG A 23 5.208 4.325 10.594 1.00 43.34 N ATOM 323 CA ARG A 23 4.285 3.200 10.407 1.00 42.42 C ATOM 324 C ARG A 23 2.882 3.515 10.948 1.00 22.41 C ATOM 325 O ARG A 23 1.891 3.001 10.435 1.00 0.42 O ATOM 326 CB ARG A 23 4.829 1.919 11.061 1.00 51.13 C ATOM 327 CG ARG A 23 4.940 1.997 12.577 1.00 73.02 C ATOM 328 CD ARG A 23 5.314 0.657 13.198 1.00 74.13 C ATOM 329 NE ARG A 23 5.188 0.682 14.656 1.00 73.14 N ATOM 330 CZ ARG A 23 6.108 0.283 15.489 1.00 52.54 C ATOM 331 NH1 ARG A 23 7.254 -0.140 15.065 1.00 64.53 N ATOM 332 NH2 ARG A 23 5.881 0.321 16.758 1.00 55.01 N ATOM 0 H ARG A 23 5.925 4.171 11.303 1.00 43.34 H new ATOM 0 HA ARG A 23 4.202 3.035 9.333 1.00 42.42 H new ATOM 0 HB2 ARG A 23 4.179 1.084 10.797 1.00 51.13 H new ATOM 0 HB3 ARG A 23 5.813 1.701 10.646 1.00 51.13 H new ATOM 0 HG2 ARG A 23 5.689 2.742 12.847 1.00 73.02 H new ATOM 0 HG3 ARG A 23 3.990 2.335 12.992 1.00 73.02 H new ATOM 0 HD2 ARG A 23 4.673 -0.125 12.791 1.00 74.13 H new ATOM 0 HD3 ARG A 23 6.338 0.403 12.926 1.00 74.13 H new ATOM 0 HE ARG A 23 4.317 1.038 15.049 1.00 73.14 H new ATOM 0 HH11 ARG A 23 7.450 -0.165 14.064 1.00 64.53 H new ATOM 0 HH12 ARG A 23 7.962 -0.448 15.731 1.00 64.53 H new ATOM 0 HH21 ARG A 23 4.985 0.662 17.106 1.00 55.01 H new ATOM 0 HH22 ARG A 23 6.598 0.010 17.414 1.00 55.01 H new ATOM 346 N LYS A 24 2.802 4.371 11.968 1.00 72.12 N ATOM 347 CA LYS A 24 1.511 4.744 12.567 1.00 3.31 C ATOM 348 C LYS A 24 0.513 5.225 11.497 1.00 53.22 C ATOM 349 O LYS A 24 -0.522 4.600 11.275 1.00 20.10 O ATOM 350 CB LYS A 24 1.706 5.837 13.630 1.00 41.34 C ATOM 351 CG LYS A 24 2.539 5.390 14.831 1.00 4.55 C ATOM 352 CD LYS A 24 2.665 6.494 15.881 1.00 13.33 C ATOM 353 CE LYS A 24 3.517 6.050 17.067 1.00 2.02 C ATOM 354 NZ LYS A 24 3.574 7.088 18.129 1.00 5.33 N ATOM 0 H LYS A 24 3.611 4.820 12.398 1.00 72.12 H new ATOM 0 HA LYS A 24 1.099 3.854 13.042 1.00 3.31 H new ATOM 0 HB2 LYS A 24 2.187 6.699 13.167 1.00 41.34 H new ATOM 0 HB3 LYS A 24 0.728 6.168 13.981 1.00 41.34 H new ATOM 0 HG2 LYS A 24 2.081 4.510 15.283 1.00 4.55 H new ATOM 0 HG3 LYS A 24 3.533 5.095 14.494 1.00 4.55 H new ATOM 0 HD2 LYS A 24 3.108 7.380 15.426 1.00 13.33 H new ATOM 0 HD3 LYS A 24 1.673 6.778 16.232 1.00 13.33 H new ATOM 0 HE2 LYS A 24 3.109 5.128 17.482 1.00 2.02 H new ATOM 0 HE3 LYS A 24 4.527 5.826 16.724 1.00 2.02 H new ATOM 0 HZ1 LYS A 24 4.162 6.747 18.916 1.00 5.33 H new ATOM 0 HZ2 LYS A 24 3.987 7.960 17.740 1.00 5.33 H new ATOM 0 HZ3 LYS A 24 2.613 7.284 18.475 1.00 5.33 H new ATOM 368 N PHE A 25 0.848 6.322 10.818 1.00 44.13 N ATOM 369 CA PHE A 25 -0.037 6.902 9.797 1.00 42.44 C ATOM 370 C PHE A 25 -0.222 5.971 8.588 1.00 24.22 C ATOM 371 O PHE A 25 -1.338 5.798 8.097 1.00 23.54 O ATOM 372 CB PHE A 25 0.510 8.254 9.327 1.00 44.31 C ATOM 373 CG PHE A 25 0.589 9.287 10.422 1.00 34.13 C ATOM 374 CD1 PHE A 25 -0.521 10.053 10.751 1.00 44.31 C ATOM 375 CD2 PHE A 25 1.770 9.493 11.122 1.00 13.13 C ATOM 376 CE1 PHE A 25 -0.454 10.999 11.754 1.00 60.22 C ATOM 377 CE2 PHE A 25 1.841 10.439 12.126 1.00 64.01 C ATOM 378 CZ PHE A 25 0.727 11.193 12.443 1.00 21.21 C ATOM 0 H PHE A 25 1.723 6.829 10.953 1.00 44.13 H new ATOM 0 HA PHE A 25 -1.013 7.039 10.262 1.00 42.44 H new ATOM 0 HB2 PHE A 25 1.504 8.107 8.905 1.00 44.31 H new ATOM 0 HB3 PHE A 25 -0.124 8.634 8.526 1.00 44.31 H new ATOM 0 HD1 PHE A 25 -1.448 9.907 10.216 1.00 44.31 H new ATOM 0 HD2 PHE A 25 2.644 8.907 10.879 1.00 13.13 H new ATOM 0 HE1 PHE A 25 -1.325 11.588 12.000 1.00 60.22 H new ATOM 0 HE2 PHE A 25 2.766 10.589 12.663 1.00 64.01 H new ATOM 0 HZ PHE A 25 0.780 11.933 13.228 1.00 21.21 H new ATOM 388 N VAL A 26 0.869 5.377 8.108 1.00 51.22 N ATOM 389 CA VAL A 26 0.813 4.497 6.933 1.00 53.15 C ATOM 390 C VAL A 26 -0.087 3.273 7.178 1.00 4.30 C ATOM 391 O VAL A 26 -0.981 2.977 6.382 1.00 1.12 O ATOM 392 CB VAL A 26 2.225 4.021 6.502 1.00 23.42 C ATOM 393 CG1 VAL A 26 2.135 3.144 5.256 1.00 43.24 C ATOM 394 CG2 VAL A 26 3.153 5.213 6.255 1.00 51.01 C ATOM 0 H VAL A 26 1.800 5.486 8.510 1.00 51.22 H new ATOM 0 HA VAL A 26 0.383 5.092 6.127 1.00 53.15 H new ATOM 0 HB VAL A 26 2.646 3.428 7.314 1.00 23.42 H new ATOM 0 HG11 VAL A 26 3.134 2.819 4.967 1.00 43.24 H new ATOM 0 HG12 VAL A 26 1.517 2.272 5.469 1.00 43.24 H new ATOM 0 HG13 VAL A 26 1.689 3.714 4.441 1.00 43.24 H new ATOM 0 HG21 VAL A 26 4.137 4.852 5.954 1.00 51.01 H new ATOM 0 HG22 VAL A 26 2.739 5.839 5.465 1.00 51.01 H new ATOM 0 HG23 VAL A 26 3.245 5.798 7.170 1.00 51.01 H new ATOM 404 N LEU A 27 0.143 2.570 8.286 1.00 42.44 N ATOM 405 CA LEU A 27 -0.671 1.402 8.642 1.00 2.34 C ATOM 406 C LEU A 27 -2.122 1.812 8.941 1.00 42.23 C ATOM 407 O LEU A 27 -3.059 1.082 8.611 1.00 11.23 O ATOM 408 CB LEU A 27 -0.066 0.666 9.848 1.00 34.05 C ATOM 409 CG LEU A 27 1.332 0.065 9.615 1.00 1.10 C ATOM 410 CD1 LEU A 27 1.836 -0.640 10.873 1.00 62.11 C ATOM 411 CD2 LEU A 27 1.313 -0.897 8.433 1.00 1.33 C ATOM 0 H LEU A 27 0.884 2.786 8.953 1.00 42.44 H new ATOM 0 HA LEU A 27 -0.676 0.725 7.788 1.00 2.34 H new ATOM 0 HB2 LEU A 27 -0.010 1.360 10.687 1.00 34.05 H new ATOM 0 HB3 LEU A 27 -0.744 -0.135 10.142 1.00 34.05 H new ATOM 0 HG LEU A 27 2.018 0.880 9.384 1.00 1.10 H new ATOM 0 HD11 LEU A 27 2.825 -1.057 10.685 1.00 62.11 H new ATOM 0 HD12 LEU A 27 1.894 0.076 11.693 1.00 62.11 H new ATOM 0 HD13 LEU A 27 1.149 -1.443 11.140 1.00 62.11 H new ATOM 0 HD21 LEU A 27 2.310 -1.311 8.285 1.00 1.33 H new ATOM 0 HD22 LEU A 27 0.610 -1.706 8.633 1.00 1.33 H new ATOM 0 HD23 LEU A 27 1.005 -0.363 7.534 1.00 1.33 H new ATOM 423 N ALA A 28 -2.298 2.989 9.555 1.00 11.10 N ATOM 424 CA ALA A 28 -3.636 3.549 9.813 1.00 12.22 C ATOM 425 C ALA A 28 -4.408 3.764 8.503 1.00 33.14 C ATOM 426 O ALA A 28 -5.596 3.448 8.403 1.00 65.25 O ATOM 427 CB ALA A 28 -3.530 4.868 10.580 1.00 22.33 C ATOM 0 H ALA A 28 -1.531 3.575 9.884 1.00 11.10 H new ATOM 0 HA ALA A 28 -4.185 2.830 10.422 1.00 12.22 H new ATOM 0 HB1 ALA A 28 -4.529 5.265 10.761 1.00 22.33 H new ATOM 0 HB2 ALA A 28 -3.030 4.695 11.533 1.00 22.33 H new ATOM 0 HB3 ALA A 28 -2.955 5.585 9.994 1.00 22.33 H new ATOM 433 N ALA A 29 -3.722 4.310 7.502 1.00 51.32 N ATOM 434 CA ALA A 29 -4.303 4.481 6.170 1.00 11.41 C ATOM 435 C ALA A 29 -4.617 3.124 5.534 1.00 21.51 C ATOM 436 O ALA A 29 -5.713 2.899 5.015 1.00 52.11 O ATOM 437 CB ALA A 29 -3.356 5.274 5.276 1.00 52.50 C ATOM 0 H ALA A 29 -2.761 4.643 7.587 1.00 51.32 H new ATOM 0 HA ALA A 29 -5.236 5.035 6.275 1.00 11.41 H new ATOM 0 HB1 ALA A 29 -3.802 5.393 4.289 1.00 52.50 H new ATOM 0 HB2 ALA A 29 -3.178 6.256 5.715 1.00 52.50 H new ATOM 0 HB3 ALA A 29 -2.410 4.741 5.185 1.00 52.50 H new ATOM 443 N LEU A 30 -3.643 2.222 5.601 1.00 11.14 N ATOM 444 CA LEU A 30 -3.770 0.876 5.042 1.00 14.50 C ATOM 445 C LEU A 30 -5.008 0.142 5.591 1.00 21.24 C ATOM 446 O LEU A 30 -5.857 -0.314 4.826 1.00 62.33 O ATOM 447 CB LEU A 30 -2.497 0.077 5.356 1.00 1.12 C ATOM 448 CG LEU A 30 -2.418 -1.334 4.748 1.00 42.50 C ATOM 449 CD1 LEU A 30 -2.486 -1.273 3.223 1.00 41.24 C ATOM 450 CD2 LEU A 30 -1.137 -2.034 5.203 1.00 72.25 C ATOM 0 H LEU A 30 -2.742 2.401 6.044 1.00 11.14 H new ATOM 0 HA LEU A 30 -3.898 0.964 3.963 1.00 14.50 H new ATOM 0 HB2 LEU A 30 -1.637 0.650 5.008 1.00 1.12 H new ATOM 0 HB3 LEU A 30 -2.404 -0.010 6.439 1.00 1.12 H new ATOM 0 HG LEU A 30 -3.274 -1.910 5.100 1.00 42.50 H new ATOM 0 HD11 LEU A 30 -2.428 -2.282 2.816 1.00 41.24 H new ATOM 0 HD12 LEU A 30 -3.426 -0.812 2.919 1.00 41.24 H new ATOM 0 HD13 LEU A 30 -1.652 -0.681 2.845 1.00 41.24 H new ATOM 0 HD21 LEU A 30 -1.093 -3.032 4.766 1.00 72.25 H new ATOM 0 HD22 LEU A 30 -0.272 -1.457 4.878 1.00 72.25 H new ATOM 0 HD23 LEU A 30 -1.132 -2.113 6.290 1.00 72.25 H new ATOM 462 N GLU A 31 -5.117 0.055 6.919 1.00 2.13 N ATOM 463 CA GLU A 31 -6.216 -0.684 7.562 1.00 65.51 C ATOM 464 C GLU A 31 -7.591 -0.085 7.214 1.00 45.12 C ATOM 465 O GLU A 31 -8.557 -0.817 6.993 1.00 32.11 O ATOM 466 CB GLU A 31 -6.028 -0.728 9.090 1.00 73.10 C ATOM 467 CG GLU A 31 -6.085 0.633 9.777 1.00 30.25 C ATOM 468 CD GLU A 31 -5.862 0.547 11.279 1.00 73.21 C ATOM 469 OE1 GLU A 31 -6.803 0.160 12.005 1.00 0.23 O ATOM 470 OE2 GLU A 31 -4.746 0.865 11.746 1.00 4.23 O ATOM 0 H GLU A 31 -4.462 0.485 7.572 1.00 2.13 H new ATOM 0 HA GLU A 31 -6.187 -1.702 7.173 1.00 65.51 H new ATOM 0 HB2 GLU A 31 -6.798 -1.369 9.519 1.00 73.10 H new ATOM 0 HB3 GLU A 31 -5.067 -1.192 9.311 1.00 73.10 H new ATOM 0 HG2 GLU A 31 -5.331 1.287 9.340 1.00 30.25 H new ATOM 0 HG3 GLU A 31 -7.055 1.091 9.584 1.00 30.25 H new ATOM 477 N GLN A 32 -7.672 1.245 7.164 1.00 42.52 N ATOM 478 CA GLN A 32 -8.917 1.931 6.790 1.00 72.22 C ATOM 479 C GLN A 32 -9.235 1.744 5.299 1.00 13.44 C ATOM 480 O GLN A 32 -10.397 1.749 4.892 1.00 24.54 O ATOM 481 CB GLN A 32 -8.823 3.425 7.127 1.00 51.32 C ATOM 482 CG GLN A 32 -8.764 3.710 8.624 1.00 60.21 C ATOM 483 CD GLN A 32 -8.640 5.187 8.936 1.00 0.02 C ATOM 484 OE1 GLN A 32 -9.635 5.888 9.097 1.00 24.30 O ATOM 485 NE2 GLN A 32 -7.418 5.675 9.017 1.00 22.43 N ATOM 0 H GLN A 32 -6.895 1.870 7.376 1.00 42.52 H new ATOM 0 HA GLN A 32 -9.729 1.485 7.365 1.00 72.22 H new ATOM 0 HB2 GLN A 32 -7.935 3.841 6.651 1.00 51.32 H new ATOM 0 HB3 GLN A 32 -9.684 3.940 6.701 1.00 51.32 H new ATOM 0 HG2 GLN A 32 -9.663 3.317 9.100 1.00 60.21 H new ATOM 0 HG3 GLN A 32 -7.916 3.179 9.057 1.00 60.21 H new ATOM 0 HE21 GLN A 32 -6.614 5.063 8.877 1.00 22.43 H new ATOM 0 HE22 GLN A 32 -7.276 6.665 9.219 1.00 22.43 H new ATOM 494 N SER A 33 -8.190 1.589 4.491 1.00 11.44 N ATOM 495 CA SER A 33 -8.338 1.339 3.049 1.00 33.32 C ATOM 496 C SER A 33 -8.566 -0.151 2.754 1.00 32.32 C ATOM 497 O SER A 33 -8.821 -0.536 1.610 1.00 44.14 O ATOM 498 CB SER A 33 -7.091 1.834 2.300 1.00 4.40 C ATOM 499 OG SER A 33 -7.180 1.592 0.902 1.00 14.15 O ATOM 0 H SER A 33 -7.221 1.632 4.808 1.00 11.44 H new ATOM 0 HA SER A 33 -9.214 1.888 2.704 1.00 33.32 H new ATOM 0 HB2 SER A 33 -6.962 2.902 2.476 1.00 4.40 H new ATOM 0 HB3 SER A 33 -6.207 1.336 2.699 1.00 4.40 H new ATOM 0 HG SER A 33 -7.764 0.822 0.740 1.00 14.15 H new ATOM 505 N SER A 34 -8.466 -0.983 3.789 1.00 34.40 N ATOM 506 CA SER A 34 -8.631 -2.438 3.645 1.00 75.54 C ATOM 507 C SER A 34 -10.101 -2.856 3.674 1.00 2.23 C ATOM 508 O SER A 34 -10.922 -2.236 4.350 1.00 33.50 O ATOM 509 CB SER A 34 -7.874 -3.184 4.757 1.00 44.20 C ATOM 510 OG SER A 34 -6.473 -3.015 4.630 1.00 35.11 O ATOM 0 H SER A 34 -8.271 -0.678 4.743 1.00 34.40 H new ATOM 0 HA SER A 34 -8.217 -2.705 2.673 1.00 75.54 H new ATOM 0 HB2 SER A 34 -8.200 -2.817 5.730 1.00 44.20 H new ATOM 0 HB3 SER A 34 -8.119 -4.245 4.718 1.00 44.20 H new ATOM 0 HG SER A 34 -6.244 -2.071 4.760 1.00 35.11 H new ATOM 516 N ASP A 35 -10.428 -3.903 2.927 1.00 20.31 N ATOM 517 CA ASP A 35 -11.760 -4.504 2.973 1.00 15.11 C ATOM 518 C ASP A 35 -11.915 -5.404 4.217 1.00 12.31 C ATOM 519 O ASP A 35 -11.014 -5.473 5.058 1.00 31.23 O ATOM 520 CB ASP A 35 -12.014 -5.302 1.692 1.00 11.43 C ATOM 521 CG ASP A 35 -12.025 -4.417 0.455 1.00 21.54 C ATOM 522 OD1 ASP A 35 -12.874 -3.501 0.387 1.00 23.21 O ATOM 523 OD2 ASP A 35 -11.199 -4.637 -0.456 1.00 12.53 O ATOM 0 H ASP A 35 -9.786 -4.358 2.277 1.00 20.31 H new ATOM 0 HA ASP A 35 -12.500 -3.707 3.045 1.00 15.11 H new ATOM 0 HB2 ASP A 35 -11.244 -6.066 1.583 1.00 11.43 H new ATOM 0 HB3 ASP A 35 -12.969 -5.822 1.773 1.00 11.43 H new ATOM 528 N ASP A 36 -13.052 -6.097 4.320 1.00 41.41 N ATOM 529 CA ASP A 36 -13.381 -6.896 5.511 1.00 72.24 C ATOM 530 C ASP A 36 -12.227 -7.817 5.949 1.00 55.43 C ATOM 531 O ASP A 36 -11.820 -7.806 7.115 1.00 12.02 O ATOM 532 CB ASP A 36 -14.635 -7.736 5.246 1.00 71.24 C ATOM 533 CG ASP A 36 -15.119 -8.461 6.491 1.00 72.34 C ATOM 534 OD1 ASP A 36 -15.798 -7.827 7.325 1.00 22.32 O ATOM 535 OD2 ASP A 36 -14.822 -9.668 6.649 1.00 52.33 O ATOM 0 H ASP A 36 -13.765 -6.123 3.591 1.00 41.41 H new ATOM 0 HA ASP A 36 -13.561 -6.193 6.324 1.00 72.24 H new ATOM 0 HB2 ASP A 36 -15.430 -7.090 4.873 1.00 71.24 H new ATOM 0 HB3 ASP A 36 -14.423 -8.465 4.464 1.00 71.24 H new ATOM 540 N ALA A 37 -11.684 -8.583 5.005 1.00 11.51 N ATOM 541 CA ALA A 37 -10.663 -9.596 5.307 1.00 52.22 C ATOM 542 C ALA A 37 -9.259 -8.997 5.502 1.00 74.43 C ATOM 543 O ALA A 37 -8.265 -9.715 5.427 1.00 21.01 O ATOM 544 CB ALA A 37 -10.642 -10.650 4.203 1.00 32.23 C ATOM 0 H ALA A 37 -11.933 -8.524 4.018 1.00 11.51 H new ATOM 0 HA ALA A 37 -10.937 -10.056 6.257 1.00 52.22 H new ATOM 0 HB1 ALA A 37 -9.884 -11.400 4.430 1.00 32.23 H new ATOM 0 HB2 ALA A 37 -11.619 -11.130 4.139 1.00 32.23 H new ATOM 0 HB3 ALA A 37 -10.408 -10.175 3.250 1.00 32.23 H new ATOM 550 N GLY A 38 -9.175 -7.693 5.766 1.00 2.02 N ATOM 551 CA GLY A 38 -7.883 -7.062 6.029 1.00 32.31 C ATOM 552 C GLY A 38 -6.969 -7.025 4.806 1.00 42.34 C ATOM 553 O GLY A 38 -5.813 -7.451 4.866 1.00 13.00 O ATOM 0 H GLY A 38 -9.975 -7.061 5.803 1.00 2.02 H new ATOM 0 HA2 GLY A 38 -8.049 -6.044 6.381 1.00 32.31 H new ATOM 0 HA3 GLY A 38 -7.381 -7.600 6.833 1.00 32.31 H new ATOM 557 N TRP A 39 -7.504 -6.537 3.691 1.00 62.22 N ATOM 558 CA TRP A 39 -6.736 -6.386 2.448 1.00 24.34 C ATOM 559 C TRP A 39 -7.096 -5.080 1.729 1.00 52.01 C ATOM 560 O TRP A 39 -8.251 -4.850 1.378 1.00 14.54 O ATOM 561 CB TRP A 39 -6.972 -7.585 1.517 1.00 34.10 C ATOM 562 CG TRP A 39 -6.337 -8.851 2.006 1.00 73.34 C ATOM 563 CD1 TRP A 39 -6.956 -9.913 2.602 1.00 14.45 C ATOM 564 CD2 TRP A 39 -4.947 -9.180 1.945 1.00 60.11 C ATOM 565 NE1 TRP A 39 -6.031 -10.880 2.914 1.00 72.00 N ATOM 566 CE2 TRP A 39 -4.792 -10.453 2.517 1.00 52.35 C ATOM 567 CE3 TRP A 39 -3.818 -8.517 1.456 1.00 12.50 C ATOM 568 CZ2 TRP A 39 -3.551 -11.075 2.615 1.00 72.34 C ATOM 569 CZ3 TRP A 39 -2.588 -9.134 1.554 1.00 74.41 C ATOM 570 CH2 TRP A 39 -2.463 -10.402 2.130 1.00 33.11 C ATOM 0 H TRP A 39 -8.476 -6.235 3.618 1.00 62.22 H new ATOM 0 HA TRP A 39 -5.679 -6.349 2.713 1.00 24.34 H new ATOM 0 HB2 TRP A 39 -8.045 -7.744 1.406 1.00 34.10 H new ATOM 0 HB3 TRP A 39 -6.581 -7.350 0.527 1.00 34.10 H new ATOM 0 HD1 TRP A 39 -8.016 -9.982 2.799 1.00 14.45 H new ATOM 0 HE1 TRP A 39 -6.234 -11.771 3.367 1.00 72.00 H new ATOM 0 HE3 TRP A 39 -3.907 -7.538 1.009 1.00 12.50 H new ATOM 0 HZ2 TRP A 39 -3.450 -12.055 3.058 1.00 72.34 H new ATOM 0 HZ3 TRP A 39 -1.709 -8.630 1.180 1.00 74.41 H new ATOM 0 HH2 TRP A 39 -1.487 -10.860 2.193 1.00 33.11 H new ATOM 581 N ALA A 40 -6.100 -4.226 1.518 1.00 24.43 N ATOM 582 CA ALA A 40 -6.311 -2.936 0.852 1.00 14.43 C ATOM 583 C ALA A 40 -5.731 -2.934 -0.562 1.00 61.32 C ATOM 584 O ALA A 40 -4.543 -3.191 -0.755 1.00 62.45 O ATOM 585 CB ALA A 40 -5.679 -1.816 1.668 1.00 71.01 C ATOM 0 H ALA A 40 -5.135 -4.400 1.798 1.00 24.43 H new ATOM 0 HA ALA A 40 -7.386 -2.773 0.778 1.00 14.43 H new ATOM 0 HB1 ALA A 40 -5.841 -0.863 1.165 1.00 71.01 H new ATOM 0 HB2 ALA A 40 -6.134 -1.786 2.658 1.00 71.01 H new ATOM 0 HB3 ALA A 40 -4.609 -1.997 1.766 1.00 71.01 H new ATOM 591 N ASN A 41 -6.573 -2.645 -1.552 1.00 54.52 N ATOM 592 CA ASN A 41 -6.115 -2.556 -2.940 1.00 15.44 C ATOM 593 C ASN A 41 -5.122 -1.393 -3.100 1.00 73.50 C ATOM 594 O ASN A 41 -5.364 -0.285 -2.611 1.00 63.32 O ATOM 595 CB ASN A 41 -7.311 -2.379 -3.892 1.00 32.43 C ATOM 596 CG ASN A 41 -6.925 -2.479 -5.364 1.00 71.14 C ATOM 597 OD1 ASN A 41 -5.822 -2.117 -5.768 1.00 53.21 O ATOM 598 ND2 ASN A 41 -7.831 -2.968 -6.186 1.00 12.52 N ATOM 0 H ASN A 41 -7.569 -2.469 -1.422 1.00 54.52 H new ATOM 0 HA ASN A 41 -5.606 -3.485 -3.198 1.00 15.44 H new ATOM 0 HB2 ASN A 41 -8.062 -3.137 -3.667 1.00 32.43 H new ATOM 0 HB3 ASN A 41 -7.773 -1.409 -3.709 1.00 32.43 H new ATOM 0 HD21 ASN A 41 -7.624 -3.053 -7.181 1.00 12.52 H new ATOM 0 HD22 ASN A 41 -8.739 -3.262 -5.827 1.00 12.52 H new ATOM 605 N LEU A 42 -4.016 -1.664 -3.793 1.00 2.40 N ATOM 606 CA LEU A 42 -2.940 -0.686 -4.006 1.00 61.25 C ATOM 607 C LEU A 42 -3.479 0.706 -4.402 1.00 1.02 C ATOM 608 O LEU A 42 -2.985 1.734 -3.927 1.00 33.12 O ATOM 609 CB LEU A 42 -1.999 -1.211 -5.097 1.00 30.32 C ATOM 610 CG LEU A 42 -0.799 -0.314 -5.431 1.00 42.50 C ATOM 611 CD1 LEU A 42 0.146 -0.194 -4.233 1.00 62.34 C ATOM 612 CD2 LEU A 42 -0.066 -0.847 -6.662 1.00 30.54 C ATOM 0 H LEU A 42 -3.837 -2.570 -4.225 1.00 2.40 H new ATOM 0 HA LEU A 42 -2.405 -0.564 -3.064 1.00 61.25 H new ATOM 0 HB2 LEU A 42 -1.625 -2.187 -4.789 1.00 30.32 H new ATOM 0 HB3 LEU A 42 -2.578 -1.365 -6.007 1.00 30.32 H new ATOM 0 HG LEU A 42 -1.168 0.686 -5.659 1.00 42.50 H new ATOM 0 HD11 LEU A 42 0.988 0.447 -4.496 1.00 62.34 H new ATOM 0 HD12 LEU A 42 -0.390 0.240 -3.389 1.00 62.34 H new ATOM 0 HD13 LEU A 42 0.514 -1.183 -3.960 1.00 62.34 H new ATOM 0 HD21 LEU A 42 0.783 -0.202 -6.888 1.00 30.54 H new ATOM 0 HD22 LEU A 42 0.290 -1.858 -6.464 1.00 30.54 H new ATOM 0 HD23 LEU A 42 -0.747 -0.862 -7.513 1.00 30.54 H new ATOM 624 N GLY A 43 -4.498 0.728 -5.266 1.00 45.25 N ATOM 625 CA GLY A 43 -5.085 1.990 -5.720 1.00 23.23 C ATOM 626 C GLY A 43 -5.651 2.836 -4.582 1.00 25.11 C ATOM 627 O GLY A 43 -5.330 4.018 -4.454 1.00 3.43 O ATOM 0 H GLY A 43 -4.930 -0.107 -5.662 1.00 45.25 H new ATOM 0 HA2 GLY A 43 -4.326 2.566 -6.249 1.00 23.23 H new ATOM 0 HA3 GLY A 43 -5.880 1.777 -6.435 1.00 23.23 H new ATOM 631 N ASN A 44 -6.491 2.224 -3.749 1.00 20.25 N ATOM 632 CA ASN A 44 -7.107 2.925 -2.616 1.00 62.30 C ATOM 633 C ASN A 44 -6.059 3.333 -1.569 1.00 70.23 C ATOM 634 O ASN A 44 -6.109 4.439 -1.027 1.00 70.12 O ATOM 635 CB ASN A 44 -8.179 2.047 -1.962 1.00 44.41 C ATOM 636 CG ASN A 44 -9.329 1.731 -2.898 1.00 75.31 C ATOM 637 OD1 ASN A 44 -9.685 2.526 -3.761 1.00 65.42 O ATOM 638 ND2 ASN A 44 -9.926 0.573 -2.727 1.00 74.53 N ATOM 0 H ASN A 44 -6.763 1.245 -3.835 1.00 20.25 H new ATOM 0 HA ASN A 44 -7.571 3.831 -3.004 1.00 62.30 H new ATOM 0 HB2 ASN A 44 -7.724 1.116 -1.625 1.00 44.41 H new ATOM 0 HB3 ASN A 44 -8.565 2.552 -1.076 1.00 44.41 H new ATOM 0 HD21 ASN A 44 -10.712 0.312 -3.322 1.00 74.53 H new ATOM 0 HD22 ASN A 44 -9.603 -0.064 -1.999 1.00 74.53 H new ATOM 645 N PHE A 45 -5.113 2.431 -1.294 1.00 75.43 N ATOM 646 CA PHE A 45 -4.030 2.705 -0.343 1.00 13.11 C ATOM 647 C PHE A 45 -3.238 3.959 -0.743 1.00 45.34 C ATOM 648 O PHE A 45 -3.024 4.854 0.075 1.00 32.11 O ATOM 649 CB PHE A 45 -3.094 1.491 -0.247 1.00 52.33 C ATOM 650 CG PHE A 45 -1.902 1.700 0.658 1.00 74.12 C ATOM 651 CD1 PHE A 45 -2.075 2.074 1.984 1.00 22.51 C ATOM 652 CD2 PHE A 45 -0.607 1.514 0.186 1.00 31.44 C ATOM 653 CE1 PHE A 45 -0.987 2.258 2.817 1.00 4.41 C ATOM 654 CE2 PHE A 45 0.484 1.698 1.018 1.00 62.44 C ATOM 655 CZ PHE A 45 0.292 2.071 2.334 1.00 11.33 C ATOM 0 H PHE A 45 -5.074 1.503 -1.716 1.00 75.43 H new ATOM 0 HA PHE A 45 -4.477 2.891 0.634 1.00 13.11 H new ATOM 0 HB2 PHE A 45 -3.664 0.634 0.113 1.00 52.33 H new ATOM 0 HB3 PHE A 45 -2.738 1.240 -1.246 1.00 52.33 H new ATOM 0 HD1 PHE A 45 -3.073 2.223 2.370 1.00 22.51 H new ATOM 0 HD2 PHE A 45 -0.451 1.222 -0.842 1.00 31.44 H new ATOM 0 HE1 PHE A 45 -1.138 2.548 3.846 1.00 4.41 H new ATOM 0 HE2 PHE A 45 1.484 1.550 0.639 1.00 62.44 H new ATOM 0 HZ PHE A 45 1.142 2.216 2.984 1.00 11.33 H new ATOM 665 N GLY A 46 -2.820 4.021 -2.008 1.00 5.22 N ATOM 666 CA GLY A 46 -2.087 5.184 -2.506 1.00 73.31 C ATOM 667 C GLY A 46 -2.868 6.490 -2.373 1.00 53.22 C ATOM 668 O GLY A 46 -2.279 7.569 -2.246 1.00 53.04 O ATOM 0 H GLY A 46 -2.975 3.287 -2.700 1.00 5.22 H new ATOM 0 HA2 GLY A 46 -1.147 5.273 -1.961 1.00 73.31 H new ATOM 0 HA3 GLY A 46 -1.834 5.025 -3.554 1.00 73.31 H new ATOM 672 N ASN A 47 -4.195 6.393 -2.402 1.00 51.21 N ATOM 673 CA ASN A 47 -5.070 7.561 -2.258 1.00 64.21 C ATOM 674 C ASN A 47 -5.137 8.031 -0.793 1.00 4.40 C ATOM 675 O ASN A 47 -4.673 9.124 -0.463 1.00 73.52 O ATOM 676 CB ASN A 47 -6.479 7.227 -2.785 1.00 22.40 C ATOM 677 CG ASN A 47 -7.462 8.394 -2.702 1.00 13.32 C ATOM 678 OD1 ASN A 47 -7.422 9.211 -1.788 1.00 23.13 O ATOM 679 ND2 ASN A 47 -8.351 8.487 -3.666 1.00 64.14 N ATOM 0 H ASN A 47 -4.694 5.512 -2.525 1.00 51.21 H new ATOM 0 HA ASN A 47 -4.653 8.378 -2.848 1.00 64.21 H new ATOM 0 HB2 ASN A 47 -6.401 6.903 -3.823 1.00 22.40 H new ATOM 0 HB3 ASN A 47 -6.879 6.386 -2.218 1.00 22.40 H new ATOM 0 HD21 ASN A 47 -9.027 9.251 -3.664 1.00 64.14 H new ATOM 0 HD22 ASN A 47 -8.365 7.795 -4.416 1.00 64.14 H new ATOM 686 N TYR A 48 -5.703 7.197 0.082 1.00 71.35 N ATOM 687 CA TYR A 48 -5.935 7.591 1.479 1.00 51.34 C ATOM 688 C TYR A 48 -4.617 7.841 2.240 1.00 42.22 C ATOM 689 O TYR A 48 -4.565 8.682 3.140 1.00 53.04 O ATOM 690 CB TYR A 48 -6.790 6.542 2.211 1.00 4.25 C ATOM 691 CG TYR A 48 -7.296 7.024 3.562 1.00 32.13 C ATOM 692 CD1 TYR A 48 -8.198 8.079 3.644 1.00 64.23 C ATOM 693 CD2 TYR A 48 -6.857 6.448 4.748 1.00 24.14 C ATOM 694 CE1 TYR A 48 -8.649 8.540 4.863 1.00 2.13 C ATOM 695 CE2 TYR A 48 -7.302 6.909 5.974 1.00 61.30 C ATOM 696 CZ TYR A 48 -8.198 7.954 6.024 1.00 64.43 C ATOM 697 OH TYR A 48 -8.638 8.426 7.242 1.00 72.42 O ATOM 0 H TYR A 48 -6.008 6.251 -0.147 1.00 71.35 H new ATOM 0 HA TYR A 48 -6.482 8.534 1.457 1.00 51.34 H new ATOM 0 HB2 TYR A 48 -7.641 6.274 1.585 1.00 4.25 H new ATOM 0 HB3 TYR A 48 -6.201 5.636 2.352 1.00 4.25 H new ATOM 0 HD1 TYR A 48 -8.552 8.546 2.737 1.00 64.23 H new ATOM 0 HD2 TYR A 48 -6.157 5.627 4.712 1.00 24.14 H new ATOM 0 HE1 TYR A 48 -9.353 9.358 4.907 1.00 2.13 H new ATOM 0 HE2 TYR A 48 -6.949 6.452 6.887 1.00 61.30 H new ATOM 0 HH TYR A 48 -8.936 7.674 7.796 1.00 72.42 H new ATOM 707 N LEU A 49 -3.555 7.126 1.869 1.00 33.34 N ATOM 708 CA LEU A 49 -2.241 7.305 2.505 1.00 50.41 C ATOM 709 C LEU A 49 -1.747 8.755 2.388 1.00 2.40 C ATOM 710 O LEU A 49 -1.341 9.363 3.380 1.00 72.32 O ATOM 711 CB LEU A 49 -1.207 6.353 1.885 1.00 51.23 C ATOM 712 CG LEU A 49 0.234 6.521 2.399 1.00 23.22 C ATOM 713 CD1 LEU A 49 0.297 6.342 3.910 1.00 70.50 C ATOM 714 CD2 LEU A 49 1.176 5.545 1.699 1.00 61.31 C ATOM 0 H LEU A 49 -3.574 6.419 1.134 1.00 33.34 H new ATOM 0 HA LEU A 49 -2.358 7.070 3.563 1.00 50.41 H new ATOM 0 HB2 LEU A 49 -1.524 5.327 2.072 1.00 51.23 H new ATOM 0 HB3 LEU A 49 -1.209 6.495 0.804 1.00 51.23 H new ATOM 0 HG LEU A 49 0.559 7.535 2.165 1.00 23.22 H new ATOM 0 HD11 LEU A 49 1.326 6.465 4.248 1.00 70.50 H new ATOM 0 HD12 LEU A 49 -0.335 7.088 4.391 1.00 70.50 H new ATOM 0 HD13 LEU A 49 -0.054 5.344 4.173 1.00 70.50 H new ATOM 0 HD21 LEU A 49 2.189 5.682 2.078 1.00 61.31 H new ATOM 0 HD22 LEU A 49 0.851 4.523 1.893 1.00 61.31 H new ATOM 0 HD23 LEU A 49 1.162 5.733 0.625 1.00 61.31 H new ATOM 726 N ASN A 50 -1.800 9.309 1.176 1.00 11.12 N ATOM 727 CA ASN A 50 -1.323 10.676 0.927 1.00 41.05 C ATOM 728 C ASN A 50 -2.146 11.713 1.717 1.00 10.44 C ATOM 729 O ASN A 50 -1.655 12.798 2.032 1.00 54.03 O ATOM 730 CB ASN A 50 -1.367 10.990 -0.578 1.00 10.20 C ATOM 731 CG ASN A 50 -0.705 12.316 -0.917 1.00 31.34 C ATOM 732 OD1 ASN A 50 -1.348 13.362 -0.929 1.00 40.21 O ATOM 733 ND2 ASN A 50 0.582 12.286 -1.194 1.00 12.24 N ATOM 0 H ASN A 50 -2.167 8.836 0.351 1.00 11.12 H new ATOM 0 HA ASN A 50 -0.291 10.738 1.272 1.00 41.05 H new ATOM 0 HB2 ASN A 50 -0.871 10.190 -1.127 1.00 10.20 H new ATOM 0 HB3 ASN A 50 -2.405 11.010 -0.911 1.00 10.20 H new ATOM 0 HD21 ASN A 50 1.074 13.149 -1.427 1.00 12.24 H new ATOM 0 HD22 ASN A 50 1.087 11.400 -1.175 1.00 12.24 H new ATOM 740 N LYS A 51 -3.399 11.375 2.036 1.00 5.34 N ATOM 741 CA LYS A 51 -4.252 12.253 2.849 1.00 61.41 C ATOM 742 C LYS A 51 -3.694 12.394 4.273 1.00 32.55 C ATOM 743 O LYS A 51 -3.737 13.476 4.867 1.00 21.55 O ATOM 744 CB LYS A 51 -5.695 11.719 2.903 1.00 10.52 C ATOM 745 CG LYS A 51 -6.349 11.570 1.533 1.00 70.05 C ATOM 746 CD LYS A 51 -7.812 11.118 1.630 1.00 43.40 C ATOM 747 CE LYS A 51 -8.768 12.260 1.993 1.00 0.35 C ATOM 748 NZ LYS A 51 -8.518 12.825 3.348 1.00 22.21 N ATOM 0 H LYS A 51 -3.845 10.505 1.746 1.00 5.34 H new ATOM 0 HA LYS A 51 -4.259 13.236 2.378 1.00 61.41 H new ATOM 0 HB2 LYS A 51 -5.695 10.750 3.402 1.00 10.52 H new ATOM 0 HB3 LYS A 51 -6.299 12.392 3.512 1.00 10.52 H new ATOM 0 HG2 LYS A 51 -6.300 12.522 1.004 1.00 70.05 H new ATOM 0 HG3 LYS A 51 -5.787 10.848 0.941 1.00 70.05 H new ATOM 0 HD2 LYS A 51 -8.117 10.685 0.677 1.00 43.40 H new ATOM 0 HD3 LYS A 51 -7.894 10.330 2.379 1.00 43.40 H new ATOM 0 HE2 LYS A 51 -8.673 13.054 1.252 1.00 0.35 H new ATOM 0 HE3 LYS A 51 -9.794 11.897 1.941 1.00 0.35 H new ATOM 0 HZ1 LYS A 51 -9.403 13.214 3.731 1.00 22.21 H new ATOM 0 HZ2 LYS A 51 -8.168 12.075 3.978 1.00 22.21 H new ATOM 0 HZ3 LYS A 51 -7.808 13.582 3.283 1.00 22.21 H new ATOM 762 N LEU A 52 -3.164 11.298 4.812 1.00 23.42 N ATOM 763 CA LEU A 52 -2.578 11.303 6.157 1.00 74.15 C ATOM 764 C LEU A 52 -1.124 11.799 6.129 1.00 42.43 C ATOM 765 O LEU A 52 -0.694 12.545 7.008 1.00 4.42 O ATOM 766 CB LEU A 52 -2.633 9.898 6.777 1.00 20.22 C ATOM 767 CG LEU A 52 -4.029 9.250 6.832 1.00 31.35 C ATOM 768 CD1 LEU A 52 -3.997 7.963 7.651 1.00 70.31 C ATOM 769 CD2 LEU A 52 -5.061 10.223 7.394 1.00 61.51 C ATOM 0 H LEU A 52 -3.127 10.394 4.341 1.00 23.42 H new ATOM 0 HA LEU A 52 -3.166 11.987 6.769 1.00 74.15 H new ATOM 0 HB2 LEU A 52 -1.970 9.244 6.210 1.00 20.22 H new ATOM 0 HB3 LEU A 52 -2.237 9.952 7.791 1.00 20.22 H new ATOM 0 HG LEU A 52 -4.323 8.998 5.813 1.00 31.35 H new ATOM 0 HD11 LEU A 52 -4.994 7.523 7.676 1.00 70.31 H new ATOM 0 HD12 LEU A 52 -3.301 7.259 7.195 1.00 70.31 H new ATOM 0 HD13 LEU A 52 -3.673 8.187 8.668 1.00 70.31 H new ATOM 0 HD21 LEU A 52 -6.038 9.741 7.422 1.00 61.51 H new ATOM 0 HD22 LEU A 52 -4.772 10.517 8.403 1.00 61.51 H new ATOM 0 HD23 LEU A 52 -5.111 11.107 6.759 1.00 61.51 H new ATOM 781 N GLN A 53 -0.369 11.372 5.118 1.00 50.23 N ATOM 782 CA GLN A 53 1.039 11.772 4.972 1.00 62.21 C ATOM 783 C GLN A 53 1.317 12.362 3.578 1.00 44.40 C ATOM 784 O GLN A 53 1.807 11.669 2.686 1.00 2.15 O ATOM 785 CB GLN A 53 1.960 10.566 5.226 1.00 35.43 C ATOM 786 CG GLN A 53 1.917 10.039 6.658 1.00 55.44 C ATOM 787 CD GLN A 53 2.539 10.995 7.665 1.00 74.32 C ATOM 788 OE1 GLN A 53 3.729 10.926 7.953 1.00 63.42 O ATOM 789 NE2 GLN A 53 1.742 11.888 8.215 1.00 62.53 N ATOM 0 H GLN A 53 -0.705 10.748 4.384 1.00 50.23 H new ATOM 0 HA GLN A 53 1.244 12.547 5.711 1.00 62.21 H new ATOM 0 HB2 GLN A 53 1.682 9.761 4.546 1.00 35.43 H new ATOM 0 HB3 GLN A 53 2.985 10.848 4.985 1.00 35.43 H new ATOM 0 HG2 GLN A 53 0.881 9.850 6.938 1.00 55.44 H new ATOM 0 HG3 GLN A 53 2.439 9.083 6.703 1.00 55.44 H new ATOM 0 HE21 GLN A 53 0.756 11.921 7.955 1.00 62.53 H new ATOM 0 HE22 GLN A 53 2.111 12.547 8.901 1.00 62.53 H new ATOM 798 N PRO A 54 0.998 13.655 3.368 1.00 74.15 N ATOM 799 CA PRO A 54 1.247 14.330 2.081 1.00 54.24 C ATOM 800 C PRO A 54 2.739 14.627 1.844 1.00 2.01 C ATOM 801 O PRO A 54 3.161 14.900 0.720 1.00 3.30 O ATOM 802 CB PRO A 54 0.445 15.630 2.214 1.00 10.33 C ATOM 803 CG PRO A 54 0.409 15.901 3.682 1.00 21.20 C ATOM 804 CD PRO A 54 0.358 14.552 4.352 1.00 52.23 C ATOM 0 HA PRO A 54 0.954 13.714 1.230 1.00 54.24 H new ATOM 0 HB2 PRO A 54 0.921 16.447 1.672 1.00 10.33 H new ATOM 0 HB3 PRO A 54 -0.560 15.520 1.806 1.00 10.33 H new ATOM 0 HG2 PRO A 54 1.290 16.460 3.997 1.00 21.20 H new ATOM 0 HG3 PRO A 54 -0.461 16.501 3.947 1.00 21.20 H new ATOM 0 HD2 PRO A 54 0.894 14.555 5.301 1.00 52.23 H new ATOM 0 HD3 PRO A 54 -0.667 14.248 4.565 1.00 52.23 H new ATOM 812 N ASP A 55 3.527 14.580 2.918 1.00 43.32 N ATOM 813 CA ASP A 55 4.976 14.796 2.843 1.00 4.12 C ATOM 814 C ASP A 55 5.724 13.465 2.608 1.00 32.43 C ATOM 815 O ASP A 55 6.944 13.440 2.429 1.00 63.31 O ATOM 816 CB ASP A 55 5.446 15.480 4.136 1.00 55.32 C ATOM 817 CG ASP A 55 6.921 15.840 4.122 1.00 50.20 C ATOM 818 OD1 ASP A 55 7.339 16.636 3.256 1.00 13.43 O ATOM 819 OD2 ASP A 55 7.667 15.351 4.998 1.00 51.12 O ATOM 0 H ASP A 55 3.184 14.392 3.860 1.00 43.32 H new ATOM 0 HA ASP A 55 5.202 15.442 1.995 1.00 4.12 H new ATOM 0 HB2 ASP A 55 4.860 16.385 4.294 1.00 55.32 H new ATOM 0 HB3 ASP A 55 5.248 14.820 4.981 1.00 55.32 H new ATOM 824 N PHE A 56 4.975 12.362 2.600 1.00 41.43 N ATOM 825 CA PHE A 56 5.541 11.032 2.353 1.00 11.14 C ATOM 826 C PHE A 56 5.543 10.719 0.848 1.00 41.44 C ATOM 827 O PHE A 56 4.492 10.474 0.254 1.00 0.04 O ATOM 828 CB PHE A 56 4.730 9.973 3.118 1.00 63.23 C ATOM 829 CG PHE A 56 5.281 8.569 3.018 1.00 61.12 C ATOM 830 CD1 PHE A 56 6.367 8.179 3.791 1.00 33.34 C ATOM 831 CD2 PHE A 56 4.708 7.636 2.160 1.00 51.22 C ATOM 832 CE1 PHE A 56 6.868 6.894 3.709 1.00 64.13 C ATOM 833 CE2 PHE A 56 5.209 6.350 2.076 1.00 43.22 C ATOM 834 CZ PHE A 56 6.290 5.979 2.852 1.00 55.30 C ATOM 0 H PHE A 56 3.968 12.362 2.763 1.00 41.43 H new ATOM 0 HA PHE A 56 6.572 11.015 2.707 1.00 11.14 H new ATOM 0 HB2 PHE A 56 4.684 10.258 4.169 1.00 63.23 H new ATOM 0 HB3 PHE A 56 3.707 9.976 2.742 1.00 63.23 H new ATOM 0 HD1 PHE A 56 6.825 8.889 4.464 1.00 33.34 H new ATOM 0 HD2 PHE A 56 3.862 7.920 1.552 1.00 51.22 H new ATOM 0 HE1 PHE A 56 7.713 6.605 4.316 1.00 64.13 H new ATOM 0 HE2 PHE A 56 4.756 5.636 1.404 1.00 43.22 H new ATOM 0 HZ PHE A 56 6.682 4.975 2.788 1.00 55.30 H new ATOM 844 N ASP A 57 6.723 10.745 0.232 1.00 71.40 N ATOM 845 CA ASP A 57 6.847 10.494 -1.208 1.00 23.04 C ATOM 846 C ASP A 57 7.873 9.383 -1.501 1.00 2.24 C ATOM 847 O ASP A 57 8.950 9.342 -0.905 1.00 53.22 O ATOM 848 CB ASP A 57 7.244 11.788 -1.925 1.00 55.12 C ATOM 849 CG ASP A 57 7.216 11.635 -3.430 1.00 43.11 C ATOM 850 OD1 ASP A 57 6.110 11.526 -3.997 1.00 72.32 O ATOM 851 OD2 ASP A 57 8.295 11.601 -4.051 1.00 70.40 O ATOM 0 H ASP A 57 7.607 10.937 0.704 1.00 71.40 H new ATOM 0 HA ASP A 57 5.880 10.155 -1.580 1.00 23.04 H new ATOM 0 HB2 ASP A 57 6.566 12.589 -1.630 1.00 55.12 H new ATOM 0 HB3 ASP A 57 8.244 12.085 -1.610 1.00 55.12 H new ATOM 856 N SER A 58 7.533 8.496 -2.437 1.00 12.20 N ATOM 857 CA SER A 58 8.378 7.337 -2.776 1.00 34.53 C ATOM 858 C SER A 58 9.740 7.747 -3.360 1.00 70.04 C ATOM 859 O SER A 58 10.765 7.119 -3.066 1.00 63.03 O ATOM 860 CB SER A 58 7.652 6.421 -3.774 1.00 43.43 C ATOM 861 OG SER A 58 6.402 5.982 -3.265 1.00 10.42 O ATOM 0 H SER A 58 6.672 8.554 -2.981 1.00 12.20 H new ATOM 0 HA SER A 58 8.565 6.804 -1.844 1.00 34.53 H new ATOM 0 HB2 SER A 58 7.497 6.954 -4.712 1.00 43.43 H new ATOM 0 HB3 SER A 58 8.278 5.557 -3.998 1.00 43.43 H new ATOM 0 HG SER A 58 5.780 5.836 -4.008 1.00 10.42 H new ATOM 867 N ARG A 59 9.762 8.806 -4.175 1.00 32.14 N ATOM 868 CA ARG A 59 11.003 9.237 -4.838 1.00 51.41 C ATOM 869 C ARG A 59 12.081 9.628 -3.812 1.00 2.22 C ATOM 870 O ARG A 59 13.279 9.485 -4.072 1.00 40.34 O ATOM 871 CB ARG A 59 10.737 10.415 -5.792 1.00 5.10 C ATOM 872 CG ARG A 59 9.672 10.147 -6.857 1.00 12.13 C ATOM 873 CD ARG A 59 10.010 8.948 -7.744 1.00 12.44 C ATOM 874 NE ARG A 59 11.323 9.075 -8.378 1.00 73.23 N ATOM 875 CZ ARG A 59 11.513 9.398 -9.631 1.00 52.00 C ATOM 876 NH1 ARG A 59 10.511 9.711 -10.394 1.00 25.23 N ATOM 877 NH2 ARG A 59 12.713 9.425 -10.108 1.00 11.30 N ATOM 0 H ARG A 59 8.945 9.377 -4.392 1.00 32.14 H new ATOM 0 HA ARG A 59 11.371 8.390 -5.418 1.00 51.41 H new ATOM 0 HB2 ARG A 59 10.433 11.280 -5.203 1.00 5.10 H new ATOM 0 HB3 ARG A 59 11.670 10.680 -6.289 1.00 5.10 H new ATOM 0 HG2 ARG A 59 8.713 9.974 -6.369 1.00 12.13 H new ATOM 0 HG3 ARG A 59 9.557 11.034 -7.481 1.00 12.13 H new ATOM 0 HD2 ARG A 59 9.986 8.038 -7.145 1.00 12.44 H new ATOM 0 HD3 ARG A 59 9.246 8.843 -8.515 1.00 12.44 H new ATOM 0 HE ARG A 59 12.147 8.899 -7.803 1.00 73.23 H new ATOM 0 HH11 ARG A 59 9.563 9.707 -10.018 1.00 25.23 H new ATOM 0 HH12 ARG A 59 10.672 9.961 -11.370 1.00 25.23 H new ATOM 0 HH21 ARG A 59 13.505 9.195 -9.508 1.00 11.30 H new ATOM 0 HH22 ARG A 59 12.868 9.676 -11.084 1.00 11.30 H new ATOM 891 N LEU A 60 11.646 10.099 -2.642 1.00 52.54 N ATOM 892 CA LEU A 60 12.563 10.487 -1.559 1.00 54.25 C ATOM 893 C LEU A 60 13.398 9.293 -1.068 1.00 3.01 C ATOM 894 O LEU A 60 14.506 9.462 -0.557 1.00 51.34 O ATOM 895 CB LEU A 60 11.772 11.082 -0.386 1.00 3.43 C ATOM 896 CG LEU A 60 10.951 12.341 -0.716 1.00 21.44 C ATOM 897 CD1 LEU A 60 10.137 12.782 0.498 1.00 4.14 C ATOM 898 CD2 LEU A 60 11.865 13.469 -1.195 1.00 0.15 C ATOM 0 H LEU A 60 10.659 10.223 -2.416 1.00 52.54 H new ATOM 0 HA LEU A 60 13.247 11.236 -1.958 1.00 54.25 H new ATOM 0 HB2 LEU A 60 11.096 10.318 -0.001 1.00 3.43 H new ATOM 0 HB3 LEU A 60 12.470 11.324 0.416 1.00 3.43 H new ATOM 0 HG LEU A 60 10.258 12.100 -1.522 1.00 21.44 H new ATOM 0 HD11 LEU A 60 9.563 13.674 0.247 1.00 4.14 H new ATOM 0 HD12 LEU A 60 9.456 11.982 0.790 1.00 4.14 H new ATOM 0 HD13 LEU A 60 10.810 13.006 1.326 1.00 4.14 H new ATOM 0 HD21 LEU A 60 11.266 14.351 -1.423 1.00 0.15 H new ATOM 0 HD22 LEU A 60 12.584 13.712 -0.413 1.00 0.15 H new ATOM 0 HD23 LEU A 60 12.398 13.150 -2.091 1.00 0.15 H new ATOM 910 N TYR A 61 12.853 8.088 -1.224 1.00 54.24 N ATOM 911 CA TYR A 61 13.540 6.860 -0.804 1.00 44.13 C ATOM 912 C TYR A 61 14.262 6.178 -1.981 1.00 45.34 C ATOM 913 O TYR A 61 14.920 5.149 -1.803 1.00 73.14 O ATOM 914 CB TYR A 61 12.537 5.889 -0.171 1.00 53.20 C ATOM 915 CG TYR A 61 11.869 6.429 1.080 1.00 3.23 C ATOM 916 CD1 TYR A 61 10.703 7.184 1.004 1.00 61.33 C ATOM 917 CD2 TYR A 61 12.406 6.182 2.338 1.00 30.20 C ATOM 918 CE1 TYR A 61 10.094 7.676 2.142 1.00 54.41 C ATOM 919 CE2 TYR A 61 11.802 6.669 3.479 1.00 32.41 C ATOM 920 CZ TYR A 61 10.648 7.414 3.377 1.00 62.23 C ATOM 921 OH TYR A 61 10.047 7.899 4.514 1.00 74.54 O ATOM 0 H TYR A 61 11.935 7.932 -1.639 1.00 54.24 H new ATOM 0 HA TYR A 61 14.295 7.137 -0.068 1.00 44.13 H new ATOM 0 HB2 TYR A 61 11.769 5.644 -0.905 1.00 53.20 H new ATOM 0 HB3 TYR A 61 13.051 4.960 0.075 1.00 53.20 H new ATOM 0 HD1 TYR A 61 10.266 7.389 0.038 1.00 61.33 H new ATOM 0 HD2 TYR A 61 13.311 5.599 2.424 1.00 30.20 H new ATOM 0 HE1 TYR A 61 9.190 8.262 2.065 1.00 54.41 H new ATOM 0 HE2 TYR A 61 12.233 6.467 4.449 1.00 32.41 H new ATOM 0 HH TYR A 61 9.073 7.862 4.410 1.00 74.54 H new ATOM 931 N GLY A 62 14.132 6.753 -3.178 1.00 3.13 N ATOM 932 CA GLY A 62 14.801 6.211 -4.362 1.00 10.11 C ATOM 933 C GLY A 62 13.899 5.345 -5.246 1.00 1.55 C ATOM 934 O GLY A 62 14.310 4.917 -6.327 1.00 73.14 O ATOM 0 H GLY A 62 13.573 7.588 -3.353 1.00 3.13 H new ATOM 0 HA2 GLY A 62 15.190 7.037 -4.957 1.00 10.11 H new ATOM 0 HA3 GLY A 62 15.657 5.617 -4.043 1.00 10.11 H new ATOM 938 N TYR A 63 12.669 5.095 -4.800 1.00 35.03 N ATOM 939 CA TYR A 63 11.730 4.240 -5.542 1.00 33.13 C ATOM 940 C TYR A 63 10.934 5.045 -6.580 1.00 20.10 C ATOM 941 O TYR A 63 10.568 6.194 -6.336 1.00 22.32 O ATOM 942 CB TYR A 63 10.758 3.558 -4.572 1.00 2.53 C ATOM 943 CG TYR A 63 11.435 2.713 -3.507 1.00 5.13 C ATOM 944 CD1 TYR A 63 11.991 3.302 -2.378 1.00 4.31 C ATOM 945 CD2 TYR A 63 11.511 1.331 -3.626 1.00 22.05 C ATOM 946 CE1 TYR A 63 12.596 2.541 -1.399 1.00 22.03 C ATOM 947 CE2 TYR A 63 12.118 0.562 -2.654 1.00 72.53 C ATOM 948 CZ TYR A 63 12.661 1.174 -1.540 1.00 13.01 C ATOM 949 OH TYR A 63 13.254 0.415 -0.554 1.00 20.44 O ATOM 0 H TYR A 63 12.295 5.470 -3.929 1.00 35.03 H new ATOM 0 HA TYR A 63 12.316 3.486 -6.068 1.00 33.13 H new ATOM 0 HB2 TYR A 63 10.153 4.322 -4.084 1.00 2.53 H new ATOM 0 HB3 TYR A 63 10.076 2.927 -5.142 1.00 2.53 H new ATOM 0 HD1 TYR A 63 11.949 4.375 -2.265 1.00 4.31 H new ATOM 0 HD2 TYR A 63 11.087 0.850 -4.495 1.00 22.05 H new ATOM 0 HE1 TYR A 63 13.017 3.017 -0.525 1.00 22.03 H new ATOM 0 HE2 TYR A 63 12.168 -0.511 -2.763 1.00 72.53 H new ATOM 0 HH TYR A 63 13.218 -0.532 -0.804 1.00 20.44 H new ATOM 959 N LYS A 64 10.665 4.435 -7.736 1.00 53.14 N ATOM 960 CA LYS A 64 9.885 5.092 -8.795 1.00 4.34 C ATOM 961 C LYS A 64 8.409 5.245 -8.389 1.00 32.32 C ATOM 962 O LYS A 64 7.815 6.317 -8.536 1.00 4.13 O ATOM 963 CB LYS A 64 9.976 4.289 -10.101 1.00 41.00 C ATOM 964 CG LYS A 64 11.403 4.017 -10.570 1.00 4.11 C ATOM 965 CD LYS A 64 12.153 5.295 -10.936 1.00 55.11 C ATOM 966 CE LYS A 64 13.608 5.007 -11.298 1.00 23.13 C ATOM 967 NZ LYS A 64 13.725 4.024 -12.411 1.00 63.25 N ATOM 0 H LYS A 64 10.973 3.490 -7.965 1.00 53.14 H new ATOM 0 HA LYS A 64 10.307 6.085 -8.948 1.00 4.34 H new ATOM 0 HB2 LYS A 64 9.462 3.337 -9.966 1.00 41.00 H new ATOM 0 HB3 LYS A 64 9.445 4.829 -10.884 1.00 41.00 H new ATOM 0 HG2 LYS A 64 11.947 3.493 -9.784 1.00 4.11 H new ATOM 0 HG3 LYS A 64 11.377 3.354 -11.435 1.00 4.11 H new ATOM 0 HD2 LYS A 64 11.657 5.781 -11.777 1.00 55.11 H new ATOM 0 HD3 LYS A 64 12.117 5.992 -10.099 1.00 55.11 H new ATOM 0 HE2 LYS A 64 14.101 5.937 -11.583 1.00 23.13 H new ATOM 0 HE3 LYS A 64 14.130 4.625 -10.421 1.00 23.13 H new ATOM 0 HZ1 LYS A 64 14.715 3.972 -12.726 1.00 63.25 H new ATOM 0 HZ2 LYS A 64 13.417 3.087 -12.081 1.00 63.25 H new ATOM 0 HZ3 LYS A 64 13.125 4.325 -13.205 1.00 63.25 H new ATOM 981 N LYS A 65 7.830 4.161 -7.875 1.00 51.53 N ATOM 982 CA LYS A 65 6.410 4.129 -7.499 1.00 13.04 C ATOM 983 C LYS A 65 6.200 3.464 -6.128 1.00 32.05 C ATOM 984 O LYS A 65 7.029 2.670 -5.674 1.00 33.15 O ATOM 985 CB LYS A 65 5.606 3.373 -8.569 1.00 24.44 C ATOM 986 CG LYS A 65 6.109 1.949 -8.820 1.00 34.44 C ATOM 987 CD LYS A 65 5.264 1.211 -9.859 1.00 54.11 C ATOM 988 CE LYS A 65 5.767 -0.211 -10.095 1.00 35.21 C ATOM 989 NZ LYS A 65 4.902 -0.958 -11.051 1.00 65.34 N ATOM 0 H LYS A 65 8.324 3.285 -7.707 1.00 51.53 H new ATOM 0 HA LYS A 65 6.060 5.159 -7.430 1.00 13.04 H new ATOM 0 HB2 LYS A 65 4.560 3.332 -8.264 1.00 24.44 H new ATOM 0 HB3 LYS A 65 5.644 3.933 -9.503 1.00 24.44 H new ATOM 0 HG2 LYS A 65 7.145 1.986 -9.157 1.00 34.44 H new ATOM 0 HG3 LYS A 65 6.098 1.392 -7.883 1.00 34.44 H new ATOM 0 HD2 LYS A 65 4.226 1.179 -9.527 1.00 54.11 H new ATOM 0 HD3 LYS A 65 5.281 1.763 -10.799 1.00 54.11 H new ATOM 0 HE2 LYS A 65 6.786 -0.176 -10.480 1.00 35.21 H new ATOM 0 HE3 LYS A 65 5.803 -0.745 -9.145 1.00 35.21 H new ATOM 0 HZ1 LYS A 65 5.279 -1.918 -11.183 1.00 65.34 H new ATOM 0 HZ2 LYS A 65 3.935 -1.015 -10.673 1.00 65.34 H new ATOM 0 HZ3 LYS A 65 4.888 -0.463 -11.966 1.00 65.34 H new ATOM 1003 N LEU A 66 5.070 3.777 -5.488 1.00 41.24 N ATOM 1004 CA LEU A 66 4.727 3.212 -4.175 1.00 50.55 C ATOM 1005 C LEU A 66 4.709 1.675 -4.214 1.00 2.44 C ATOM 1006 O LEU A 66 5.133 1.016 -3.263 1.00 20.33 O ATOM 1007 CB LEU A 66 3.360 3.746 -3.712 1.00 1.23 C ATOM 1008 CG LEU A 66 2.897 3.283 -2.316 1.00 10.24 C ATOM 1009 CD1 LEU A 66 3.869 3.750 -1.231 1.00 34.12 C ATOM 1010 CD2 LEU A 66 1.484 3.785 -2.021 1.00 43.32 C ATOM 0 H LEU A 66 4.372 4.422 -5.858 1.00 41.24 H new ATOM 0 HA LEU A 66 5.494 3.521 -3.464 1.00 50.55 H new ATOM 0 HB2 LEU A 66 3.395 4.835 -3.720 1.00 1.23 H new ATOM 0 HB3 LEU A 66 2.608 3.446 -4.442 1.00 1.23 H new ATOM 0 HG LEU A 66 2.884 2.193 -2.312 1.00 10.24 H new ATOM 0 HD11 LEU A 66 3.518 3.410 -0.257 1.00 34.12 H new ATOM 0 HD12 LEU A 66 4.858 3.335 -1.426 1.00 34.12 H new ATOM 0 HD13 LEU A 66 3.925 4.839 -1.236 1.00 34.12 H new ATOM 0 HD21 LEU A 66 1.177 3.447 -1.031 1.00 43.32 H new ATOM 0 HD22 LEU A 66 1.471 4.874 -2.053 1.00 43.32 H new ATOM 0 HD23 LEU A 66 0.795 3.392 -2.768 1.00 43.32 H new ATOM 1022 N SER A 67 4.220 1.116 -5.323 1.00 5.12 N ATOM 1023 CA SER A 67 4.188 -0.342 -5.526 1.00 32.21 C ATOM 1024 C SER A 67 5.565 -0.974 -5.266 1.00 64.24 C ATOM 1025 O SER A 67 5.679 -2.007 -4.602 1.00 53.23 O ATOM 1026 CB SER A 67 3.763 -0.663 -6.966 1.00 64.22 C ATOM 1027 OG SER A 67 2.687 0.163 -7.382 1.00 21.21 O ATOM 0 H SER A 67 3.837 1.652 -6.102 1.00 5.12 H new ATOM 0 HA SER A 67 3.470 -0.757 -4.819 1.00 32.21 H new ATOM 0 HB2 SER A 67 4.611 -0.525 -7.637 1.00 64.22 H new ATOM 0 HB3 SER A 67 3.469 -1.710 -7.036 1.00 64.22 H new ATOM 0 HG SER A 67 2.439 -0.062 -8.303 1.00 21.21 H new ATOM 1033 N ASP A 68 6.606 -0.334 -5.794 1.00 42.25 N ATOM 1034 CA ASP A 68 7.976 -0.837 -5.677 1.00 51.32 C ATOM 1035 C ASP A 68 8.476 -0.709 -4.226 1.00 34.15 C ATOM 1036 O ASP A 68 9.220 -1.557 -3.727 1.00 2.50 O ATOM 1037 CB ASP A 68 8.888 -0.055 -6.633 1.00 2.11 C ATOM 1038 CG ASP A 68 10.259 -0.684 -6.796 1.00 33.34 C ATOM 1039 OD1 ASP A 68 10.332 -1.844 -7.255 1.00 55.35 O ATOM 1040 OD2 ASP A 68 11.271 -0.026 -6.490 1.00 5.14 O ATOM 0 H ASP A 68 6.527 0.541 -6.312 1.00 42.25 H new ATOM 0 HA ASP A 68 7.995 -1.893 -5.947 1.00 51.32 H new ATOM 0 HB2 ASP A 68 8.408 0.013 -7.609 1.00 2.11 H new ATOM 0 HB3 ASP A 68 9.004 0.964 -6.263 1.00 2.11 H new ATOM 1045 N LEU A 69 8.044 0.362 -3.557 1.00 33.44 N ATOM 1046 CA LEU A 69 8.392 0.611 -2.155 1.00 11.35 C ATOM 1047 C LEU A 69 7.797 -0.459 -1.225 1.00 15.53 C ATOM 1048 O LEU A 69 8.514 -1.075 -0.432 1.00 23.34 O ATOM 1049 CB LEU A 69 7.898 2.008 -1.739 1.00 44.04 C ATOM 1050 CG LEU A 69 8.072 2.361 -0.248 1.00 42.41 C ATOM 1051 CD1 LEU A 69 9.540 2.300 0.164 1.00 31.25 C ATOM 1052 CD2 LEU A 69 7.482 3.737 0.053 1.00 23.32 C ATOM 0 H LEU A 69 7.446 1.078 -3.969 1.00 33.44 H new ATOM 0 HA LEU A 69 9.477 0.563 -2.062 1.00 11.35 H new ATOM 0 HB2 LEU A 69 8.427 2.753 -2.334 1.00 44.04 H new ATOM 0 HB3 LEU A 69 6.841 2.090 -1.992 1.00 44.04 H new ATOM 0 HG LEU A 69 7.529 1.620 0.338 1.00 42.41 H new ATOM 0 HD11 LEU A 69 9.632 2.554 1.220 1.00 31.25 H new ATOM 0 HD12 LEU A 69 9.923 1.293 -0.002 1.00 31.25 H new ATOM 0 HD13 LEU A 69 10.115 3.010 -0.431 1.00 31.25 H new ATOM 0 HD21 LEU A 69 7.615 3.967 1.110 1.00 23.32 H new ATOM 0 HD22 LEU A 69 7.990 4.490 -0.549 1.00 23.32 H new ATOM 0 HD23 LEU A 69 6.419 3.737 -0.187 1.00 23.32 H new ATOM 1064 N VAL A 70 6.489 -0.679 -1.337 1.00 51.14 N ATOM 1065 CA VAL A 70 5.783 -1.632 -0.472 1.00 13.30 C ATOM 1066 C VAL A 70 6.395 -3.045 -0.545 1.00 22.30 C ATOM 1067 O VAL A 70 6.757 -3.628 0.478 1.00 51.24 O ATOM 1068 CB VAL A 70 4.278 -1.710 -0.835 1.00 24.10 C ATOM 1069 CG1 VAL A 70 3.543 -2.692 0.077 1.00 2.23 C ATOM 1070 CG2 VAL A 70 3.636 -0.324 -0.775 1.00 32.40 C ATOM 0 H VAL A 70 5.892 -0.211 -2.019 1.00 51.14 H new ATOM 0 HA VAL A 70 5.892 -1.260 0.547 1.00 13.30 H new ATOM 0 HB VAL A 70 4.196 -2.080 -1.857 1.00 24.10 H new ATOM 0 HG11 VAL A 70 2.489 -2.727 -0.200 1.00 2.23 H new ATOM 0 HG12 VAL A 70 3.980 -3.685 -0.031 1.00 2.23 H new ATOM 0 HG13 VAL A 70 3.635 -2.365 1.113 1.00 2.23 H new ATOM 0 HG21 VAL A 70 2.580 -0.401 -1.033 1.00 32.40 H new ATOM 0 HG22 VAL A 70 3.735 0.079 0.233 1.00 32.40 H new ATOM 0 HG23 VAL A 70 4.135 0.339 -1.482 1.00 32.40 H new ATOM 1080 N LYS A 71 6.522 -3.583 -1.761 1.00 23.14 N ATOM 1081 CA LYS A 71 7.050 -4.944 -1.952 1.00 34.11 C ATOM 1082 C LYS A 71 8.525 -5.054 -1.529 1.00 3.44 C ATOM 1083 O LYS A 71 9.019 -6.144 -1.232 1.00 44.45 O ATOM 1084 CB LYS A 71 6.880 -5.384 -3.417 1.00 3.45 C ATOM 1085 CG LYS A 71 7.694 -4.565 -4.419 1.00 43.44 C ATOM 1086 CD LYS A 71 7.411 -4.964 -5.871 1.00 61.34 C ATOM 1087 CE LYS A 71 7.963 -6.348 -6.230 1.00 62.11 C ATOM 1088 NZ LYS A 71 7.321 -7.451 -5.462 1.00 34.35 N ATOM 0 H LYS A 71 6.269 -3.104 -2.625 1.00 23.14 H new ATOM 0 HA LYS A 71 6.475 -5.610 -1.309 1.00 34.11 H new ATOM 0 HB2 LYS A 71 7.166 -6.432 -3.505 1.00 3.45 H new ATOM 0 HB3 LYS A 71 5.825 -5.318 -3.684 1.00 3.45 H new ATOM 0 HG2 LYS A 71 7.469 -3.507 -4.286 1.00 43.44 H new ATOM 0 HG3 LYS A 71 8.756 -4.694 -4.211 1.00 43.44 H new ATOM 0 HD2 LYS A 71 6.335 -4.953 -6.042 1.00 61.34 H new ATOM 0 HD3 LYS A 71 7.847 -4.221 -6.538 1.00 61.34 H new ATOM 0 HE2 LYS A 71 7.820 -6.524 -7.296 1.00 62.11 H new ATOM 0 HE3 LYS A 71 9.037 -6.363 -6.046 1.00 62.11 H new ATOM 0 HZ1 LYS A 71 7.243 -8.294 -6.065 1.00 34.35 H new ATOM 0 HZ2 LYS A 71 7.899 -7.675 -4.627 1.00 34.35 H new ATOM 0 HZ3 LYS A 71 6.372 -7.155 -5.157 1.00 34.35 H new ATOM 1102 N ALA A 72 9.225 -3.925 -1.498 1.00 73.33 N ATOM 1103 CA ALA A 72 10.623 -3.899 -1.063 1.00 42.43 C ATOM 1104 C ALA A 72 10.740 -3.877 0.469 1.00 21.54 C ATOM 1105 O ALA A 72 11.758 -4.282 1.031 1.00 20.20 O ATOM 1106 CB ALA A 72 11.338 -2.696 -1.658 1.00 33.32 C ATOM 0 H ALA A 72 8.851 -3.015 -1.768 1.00 73.33 H new ATOM 0 HA ALA A 72 11.097 -4.813 -1.421 1.00 42.43 H new ATOM 0 HB1 ALA A 72 12.376 -2.689 -1.326 1.00 33.32 H new ATOM 0 HB2 ALA A 72 11.305 -2.755 -2.746 1.00 33.32 H new ATOM 0 HB3 ALA A 72 10.846 -1.781 -1.329 1.00 33.32 H new ATOM 1112 N ARG A 73 9.685 -3.405 1.134 1.00 62.53 N ATOM 1113 CA ARG A 73 9.674 -3.278 2.599 1.00 2.30 C ATOM 1114 C ARG A 73 8.726 -4.301 3.249 1.00 4.20 C ATOM 1115 O ARG A 73 7.890 -3.950 4.086 1.00 72.15 O ATOM 1116 CB ARG A 73 9.268 -1.848 2.989 1.00 44.12 C ATOM 1117 CG ARG A 73 10.157 -0.769 2.375 1.00 5.31 C ATOM 1118 CD ARG A 73 11.615 -0.929 2.801 1.00 42.53 C ATOM 1119 NE ARG A 73 12.508 -0.015 2.092 1.00 41.44 N ATOM 1120 CZ ARG A 73 13.699 0.316 2.507 1.00 74.45 C ATOM 1121 NH1 ARG A 73 14.160 -0.159 3.622 1.00 1.41 N ATOM 1122 NH2 ARG A 73 14.436 1.103 1.789 1.00 70.34 N ATOM 0 H ARG A 73 8.822 -3.102 0.683 1.00 62.53 H new ATOM 0 HA ARG A 73 10.679 -3.484 2.967 1.00 2.30 H new ATOM 0 HB2 ARG A 73 8.237 -1.676 2.681 1.00 44.12 H new ATOM 0 HB3 ARG A 73 9.296 -1.755 4.075 1.00 44.12 H new ATOM 0 HG2 ARG A 73 10.088 -0.816 1.288 1.00 5.31 H new ATOM 0 HG3 ARG A 73 9.796 0.215 2.675 1.00 5.31 H new ATOM 0 HD2 ARG A 73 11.698 -0.754 3.874 1.00 42.53 H new ATOM 0 HD3 ARG A 73 11.933 -1.956 2.620 1.00 42.53 H new ATOM 0 HE ARG A 73 12.178 0.390 1.216 1.00 41.44 H new ATOM 0 HH11 ARG A 73 13.590 -0.795 4.180 1.00 1.41 H new ATOM 0 HH12 ARG A 73 15.092 0.104 3.941 1.00 1.41 H new ATOM 0 HH21 ARG A 73 14.084 1.462 0.901 1.00 70.34 H new ATOM 0 HH22 ARG A 73 15.368 1.364 2.111 1.00 70.34 H new ATOM 1136 N THR A 74 8.895 -5.574 2.885 1.00 3.13 N ATOM 1137 CA THR A 74 8.032 -6.663 3.387 1.00 61.24 C ATOM 1138 C THR A 74 8.124 -6.843 4.911 1.00 51.33 C ATOM 1139 O THR A 74 7.269 -7.487 5.517 1.00 75.13 O ATOM 1140 CB THR A 74 8.360 -8.017 2.708 1.00 23.02 C ATOM 1141 OG1 THR A 74 9.757 -8.325 2.858 1.00 71.14 O ATOM 1142 CG2 THR A 74 7.992 -7.994 1.227 1.00 11.40 C ATOM 0 H THR A 74 9.623 -5.884 2.242 1.00 3.13 H new ATOM 0 HA THR A 74 7.016 -6.362 3.133 1.00 61.24 H new ATOM 0 HB THR A 74 7.767 -8.789 3.198 1.00 23.02 H new ATOM 0 HG1 THR A 74 9.951 -9.183 2.426 1.00 71.14 H new ATOM 0 HG21 THR A 74 8.233 -8.957 0.777 1.00 11.40 H new ATOM 0 HG22 THR A 74 6.925 -7.801 1.120 1.00 11.40 H new ATOM 0 HG23 THR A 74 8.555 -7.208 0.724 1.00 11.40 H new ATOM 1150 N ASP A 75 9.167 -6.290 5.528 1.00 51.24 N ATOM 1151 CA ASP A 75 9.295 -6.306 6.992 1.00 32.31 C ATOM 1152 C ASP A 75 8.190 -5.456 7.651 1.00 13.22 C ATOM 1153 O ASP A 75 7.800 -5.694 8.798 1.00 61.32 O ATOM 1154 CB ASP A 75 10.686 -5.801 7.395 1.00 74.43 C ATOM 1155 CG ASP A 75 10.858 -5.674 8.899 1.00 34.31 C ATOM 1156 OD1 ASP A 75 10.903 -6.712 9.591 1.00 72.22 O ATOM 1157 OD2 ASP A 75 10.957 -4.530 9.395 1.00 5.44 O ATOM 0 H ASP A 75 9.935 -5.826 5.043 1.00 51.24 H new ATOM 0 HA ASP A 75 9.176 -7.331 7.344 1.00 32.31 H new ATOM 0 HB2 ASP A 75 11.441 -6.483 7.005 1.00 74.43 H new ATOM 0 HB3 ASP A 75 10.863 -4.831 6.931 1.00 74.43 H new ATOM 1162 N LEU A 76 7.694 -4.473 6.903 1.00 33.14 N ATOM 1163 CA LEU A 76 6.596 -3.609 7.353 1.00 42.14 C ATOM 1164 C LEU A 76 5.251 -4.045 6.744 1.00 62.13 C ATOM 1165 O LEU A 76 4.244 -4.158 7.445 1.00 21.42 O ATOM 1166 CB LEU A 76 6.889 -2.151 6.958 1.00 14.14 C ATOM 1167 CG LEU A 76 8.083 -1.491 7.674 1.00 55.31 C ATOM 1168 CD1 LEU A 76 8.431 -0.154 7.017 1.00 63.04 C ATOM 1169 CD2 LEU A 76 7.775 -1.296 9.164 1.00 24.44 C ATOM 0 H LEU A 76 8.038 -4.250 5.969 1.00 33.14 H new ATOM 0 HA LEU A 76 6.523 -3.695 8.437 1.00 42.14 H new ATOM 0 HB2 LEU A 76 7.068 -2.114 5.883 1.00 14.14 H new ATOM 0 HB3 LEU A 76 5.997 -1.555 7.153 1.00 14.14 H new ATOM 0 HG LEU A 76 8.946 -2.151 7.585 1.00 55.31 H new ATOM 0 HD11 LEU A 76 9.276 0.297 7.536 1.00 63.04 H new ATOM 0 HD12 LEU A 76 8.693 -0.319 5.972 1.00 63.04 H new ATOM 0 HD13 LEU A 76 7.572 0.514 7.074 1.00 63.04 H new ATOM 0 HD21 LEU A 76 8.629 -0.829 9.654 1.00 24.44 H new ATOM 0 HD22 LEU A 76 6.899 -0.657 9.274 1.00 24.44 H new ATOM 0 HD23 LEU A 76 7.577 -2.264 9.624 1.00 24.44 H new ATOM 1181 N PHE A 77 5.244 -4.296 5.433 1.00 21.32 N ATOM 1182 CA PHE A 77 3.998 -4.573 4.703 1.00 62.53 C ATOM 1183 C PHE A 77 3.981 -5.985 4.092 1.00 61.24 C ATOM 1184 O PHE A 77 5.015 -6.532 3.724 1.00 5.24 O ATOM 1185 CB PHE A 77 3.804 -3.530 3.588 1.00 33.02 C ATOM 1186 CG PHE A 77 3.936 -2.104 4.061 1.00 63.21 C ATOM 1187 CD1 PHE A 77 3.060 -1.587 5.005 1.00 50.22 C ATOM 1188 CD2 PHE A 77 4.942 -1.281 3.567 1.00 1.40 C ATOM 1189 CE1 PHE A 77 3.187 -0.284 5.449 1.00 22.01 C ATOM 1190 CE2 PHE A 77 5.071 0.022 4.006 1.00 52.44 C ATOM 1191 CZ PHE A 77 4.195 0.520 4.949 1.00 2.15 C ATOM 0 H PHE A 77 6.083 -4.314 4.853 1.00 21.32 H new ATOM 0 HA PHE A 77 3.181 -4.514 5.422 1.00 62.53 H new ATOM 0 HB2 PHE A 77 4.536 -3.712 2.801 1.00 33.02 H new ATOM 0 HB3 PHE A 77 2.818 -3.666 3.143 1.00 33.02 H new ATOM 0 HD1 PHE A 77 2.270 -2.210 5.397 1.00 50.22 H new ATOM 0 HD2 PHE A 77 5.632 -1.666 2.830 1.00 1.40 H new ATOM 0 HE1 PHE A 77 2.500 0.106 6.185 1.00 22.01 H new ATOM 0 HE2 PHE A 77 5.856 0.650 3.612 1.00 52.44 H new ATOM 0 HZ PHE A 77 4.297 1.538 5.296 1.00 2.15 H new ATOM 1201 N VAL A 78 2.786 -6.563 3.991 1.00 50.01 N ATOM 1202 CA VAL A 78 2.584 -7.864 3.342 1.00 35.05 C ATOM 1203 C VAL A 78 1.912 -7.676 1.973 1.00 22.04 C ATOM 1204 O VAL A 78 0.891 -6.994 1.865 1.00 72.43 O ATOM 1205 CB VAL A 78 1.701 -8.797 4.213 1.00 13.03 C ATOM 1206 CG1 VAL A 78 1.526 -10.165 3.554 1.00 42.10 C ATOM 1207 CG2 VAL A 78 2.280 -8.941 5.617 1.00 72.03 C ATOM 0 H VAL A 78 1.929 -6.146 4.355 1.00 50.01 H new ATOM 0 HA VAL A 78 3.564 -8.324 3.215 1.00 35.05 H new ATOM 0 HB VAL A 78 0.716 -8.338 4.298 1.00 13.03 H new ATOM 0 HG11 VAL A 78 0.903 -10.797 4.187 1.00 42.10 H new ATOM 0 HG12 VAL A 78 1.048 -10.042 2.582 1.00 42.10 H new ATOM 0 HG13 VAL A 78 2.502 -10.633 3.422 1.00 42.10 H new ATOM 0 HG21 VAL A 78 1.643 -9.600 6.207 1.00 72.03 H new ATOM 0 HG22 VAL A 78 3.282 -9.365 5.556 1.00 72.03 H new ATOM 0 HG23 VAL A 78 2.329 -7.961 6.093 1.00 72.03 H new ATOM 1217 N THR A 79 2.478 -8.285 0.931 1.00 21.11 N ATOM 1218 CA THR A 79 1.956 -8.119 -0.434 1.00 51.31 C ATOM 1219 C THR A 79 1.440 -9.442 -1.019 1.00 14.15 C ATOM 1220 O THR A 79 2.132 -10.462 -0.978 1.00 4.50 O ATOM 1221 CB THR A 79 3.046 -7.562 -1.390 1.00 63.21 C ATOM 1222 OG1 THR A 79 4.122 -8.507 -1.527 1.00 74.45 O ATOM 1223 CG2 THR A 79 3.608 -6.236 -0.883 1.00 15.10 C ATOM 0 H THR A 79 3.293 -8.895 1.000 1.00 21.11 H new ATOM 0 HA THR A 79 1.129 -7.413 -0.356 1.00 51.31 H new ATOM 0 HB THR A 79 2.575 -7.395 -2.359 1.00 63.21 H new ATOM 0 HG1 THR A 79 3.794 -9.408 -1.323 1.00 74.45 H new ATOM 0 HG21 THR A 79 4.368 -5.874 -1.576 1.00 15.10 H new ATOM 0 HG22 THR A 79 2.804 -5.503 -0.812 1.00 15.10 H new ATOM 0 HG23 THR A 79 4.054 -6.382 0.101 1.00 15.10 H new ATOM 1231 N GLU A 80 0.224 -9.418 -1.569 1.00 64.12 N ATOM 1232 CA GLU A 80 -0.338 -10.580 -2.277 1.00 23.11 C ATOM 1233 C GLU A 80 -1.159 -10.156 -3.504 1.00 12.11 C ATOM 1234 O GLU A 80 -1.894 -9.164 -3.473 1.00 2.43 O ATOM 1235 CB GLU A 80 -1.209 -11.440 -1.344 1.00 71.23 C ATOM 1236 CG GLU A 80 -0.418 -12.218 -0.297 1.00 54.35 C ATOM 1237 CD GLU A 80 -1.274 -13.198 0.492 1.00 54.42 C ATOM 1238 OE1 GLU A 80 -2.116 -13.886 -0.125 1.00 21.50 O ATOM 1239 OE2 GLU A 80 -1.108 -13.290 1.727 1.00 75.01 O ATOM 0 H GLU A 80 -0.394 -8.607 -1.540 1.00 64.12 H new ATOM 0 HA GLU A 80 0.509 -11.177 -2.617 1.00 23.11 H new ATOM 0 HB2 GLU A 80 -1.926 -10.795 -0.837 1.00 71.23 H new ATOM 0 HB3 GLU A 80 -1.784 -12.143 -1.947 1.00 71.23 H new ATOM 0 HG2 GLU A 80 0.387 -12.763 -0.790 1.00 54.35 H new ATOM 0 HG3 GLU A 80 0.049 -11.515 0.393 1.00 54.35 H new ATOM 1246 N GLU A 81 -1.023 -10.918 -4.583 1.00 34.44 N ATOM 1247 CA GLU A 81 -1.774 -10.675 -5.814 1.00 13.24 C ATOM 1248 C GLU A 81 -3.116 -11.421 -5.776 1.00 34.44 C ATOM 1249 O GLU A 81 -3.154 -12.651 -5.701 1.00 71.10 O ATOM 1250 CB GLU A 81 -0.959 -11.137 -7.026 1.00 21.10 C ATOM 1251 CG GLU A 81 0.424 -10.496 -7.137 1.00 53.52 C ATOM 1252 CD GLU A 81 1.241 -11.071 -8.286 1.00 53.22 C ATOM 1253 OE1 GLU A 81 1.639 -12.253 -8.202 1.00 45.54 O ATOM 1254 OE2 GLU A 81 1.483 -10.349 -9.277 1.00 4.24 O ATOM 0 H GLU A 81 -0.393 -11.719 -4.632 1.00 34.44 H new ATOM 0 HA GLU A 81 -1.967 -9.606 -5.899 1.00 13.24 H new ATOM 0 HB2 GLU A 81 -0.842 -12.220 -6.979 1.00 21.10 H new ATOM 0 HB3 GLU A 81 -1.522 -10.917 -7.933 1.00 21.10 H new ATOM 0 HG2 GLU A 81 0.313 -9.421 -7.277 1.00 53.52 H new ATOM 0 HG3 GLU A 81 0.965 -10.642 -6.202 1.00 53.52 H new ATOM 1261 N ARG A 82 -4.214 -10.679 -5.827 1.00 20.34 N ATOM 1262 CA ARG A 82 -5.550 -11.269 -5.726 1.00 74.42 C ATOM 1263 C ARG A 82 -6.326 -11.042 -7.033 1.00 71.42 C ATOM 1264 O ARG A 82 -6.532 -9.902 -7.450 1.00 31.00 O ATOM 1265 CB ARG A 82 -6.300 -10.633 -4.544 1.00 50.35 C ATOM 1266 CG ARG A 82 -5.480 -10.575 -3.249 1.00 71.44 C ATOM 1267 CD ARG A 82 -5.081 -11.955 -2.727 1.00 61.44 C ATOM 1268 NE ARG A 82 -6.187 -12.647 -2.070 1.00 32.20 N ATOM 1269 CZ ARG A 82 -6.059 -13.375 -0.991 1.00 33.25 C ATOM 1270 NH1 ARG A 82 -4.899 -13.548 -0.437 1.00 61.54 N ATOM 1271 NH2 ARG A 82 -7.095 -13.936 -0.469 1.00 34.11 N ATOM 0 H ARG A 82 -4.210 -9.665 -5.938 1.00 20.34 H new ATOM 0 HA ARG A 82 -5.461 -12.342 -5.558 1.00 74.42 H new ATOM 0 HB2 ARG A 82 -6.600 -9.622 -4.818 1.00 50.35 H new ATOM 0 HB3 ARG A 82 -7.214 -11.198 -4.359 1.00 50.35 H new ATOM 0 HG2 ARG A 82 -4.580 -9.985 -3.423 1.00 71.44 H new ATOM 0 HG3 ARG A 82 -6.058 -10.057 -2.483 1.00 71.44 H new ATOM 0 HD2 ARG A 82 -4.718 -12.562 -3.556 1.00 61.44 H new ATOM 0 HD3 ARG A 82 -4.255 -11.849 -2.024 1.00 61.44 H new ATOM 0 HE ARG A 82 -7.117 -12.557 -2.478 1.00 32.20 H new ATOM 0 HH11 ARG A 82 -4.070 -13.113 -0.843 1.00 61.54 H new ATOM 0 HH12 ARG A 82 -4.816 -14.119 0.404 1.00 61.54 H new ATOM 0 HH21 ARG A 82 -8.012 -13.812 -0.897 1.00 34.11 H new ATOM 0 HH22 ARG A 82 -6.998 -14.504 0.372 1.00 34.11 H new ATOM 1285 N GLN A 83 -6.754 -12.124 -7.677 1.00 31.54 N ATOM 1286 CA GLN A 83 -7.406 -12.034 -8.987 1.00 73.13 C ATOM 1287 C GLN A 83 -8.880 -11.628 -8.853 1.00 64.22 C ATOM 1288 O GLN A 83 -9.612 -12.158 -8.017 1.00 65.11 O ATOM 1289 CB GLN A 83 -7.284 -13.368 -9.730 1.00 22.22 C ATOM 1290 CG GLN A 83 -7.716 -13.300 -11.190 1.00 53.14 C ATOM 1291 CD GLN A 83 -7.541 -14.622 -11.911 1.00 61.03 C ATOM 1292 OE1 GLN A 83 -6.483 -14.910 -12.461 1.00 10.52 O ATOM 1293 NE2 GLN A 83 -8.574 -15.433 -11.918 1.00 1.44 N ATOM 0 H GLN A 83 -6.663 -13.074 -7.317 1.00 31.54 H new ATOM 0 HA GLN A 83 -6.900 -11.259 -9.563 1.00 73.13 H new ATOM 0 HB2 GLN A 83 -6.249 -13.707 -9.682 1.00 22.22 H new ATOM 0 HB3 GLN A 83 -7.888 -14.116 -9.216 1.00 22.22 H new ATOM 0 HG2 GLN A 83 -8.762 -12.997 -11.242 1.00 53.14 H new ATOM 0 HG3 GLN A 83 -7.136 -12.532 -11.701 1.00 53.14 H new ATOM 0 HE21 GLN A 83 -9.439 -15.161 -11.450 1.00 1.44 H new ATOM 0 HE22 GLN A 83 -8.511 -16.335 -12.391 1.00 1.44 H new ATOM 1302 N VAL A 84 -9.308 -10.693 -9.696 1.00 31.14 N ATOM 1303 CA VAL A 84 -10.657 -10.130 -9.610 1.00 64.35 C ATOM 1304 C VAL A 84 -11.666 -10.918 -10.465 1.00 53.30 C ATOM 1305 O VAL A 84 -11.495 -11.047 -11.679 1.00 13.33 O ATOM 1306 CB VAL A 84 -10.664 -8.647 -10.059 1.00 34.33 C ATOM 1307 CG1 VAL A 84 -12.050 -8.026 -9.870 1.00 1.52 C ATOM 1308 CG2 VAL A 84 -9.597 -7.849 -9.308 1.00 3.10 C ATOM 0 H VAL A 84 -8.740 -10.306 -10.450 1.00 31.14 H new ATOM 0 HA VAL A 84 -10.959 -10.200 -8.565 1.00 64.35 H new ATOM 0 HB VAL A 84 -10.425 -8.612 -11.122 1.00 34.33 H new ATOM 0 HG11 VAL A 84 -12.029 -6.985 -10.192 1.00 1.52 H new ATOM 0 HG12 VAL A 84 -12.779 -8.576 -10.465 1.00 1.52 H new ATOM 0 HG13 VAL A 84 -12.330 -8.075 -8.818 1.00 1.52 H new ATOM 0 HG21 VAL A 84 -9.619 -6.811 -9.639 1.00 3.10 H new ATOM 0 HG22 VAL A 84 -9.796 -7.893 -8.237 1.00 3.10 H new ATOM 0 HG23 VAL A 84 -8.614 -8.274 -9.512 1.00 3.10 H new ATOM 1318 N PRO A 85 -12.731 -11.466 -9.843 1.00 11.33 N ATOM 1319 CA PRO A 85 -13.816 -12.131 -10.581 1.00 55.33 C ATOM 1320 C PRO A 85 -14.598 -11.139 -11.464 1.00 0.04 C ATOM 1321 O PRO A 85 -15.114 -10.128 -10.980 1.00 2.52 O ATOM 1322 CB PRO A 85 -14.706 -12.721 -9.475 1.00 73.05 C ATOM 1323 CG PRO A 85 -14.385 -11.933 -8.249 1.00 72.33 C ATOM 1324 CD PRO A 85 -12.947 -11.498 -8.384 1.00 61.22 C ATOM 0 HA PRO A 85 -13.445 -12.889 -11.271 1.00 55.33 H new ATOM 0 HB2 PRO A 85 -15.762 -12.636 -9.732 1.00 73.05 H new ATOM 0 HB3 PRO A 85 -14.499 -13.781 -9.327 1.00 73.05 H new ATOM 0 HG2 PRO A 85 -15.045 -11.070 -8.159 1.00 72.33 H new ATOM 0 HG3 PRO A 85 -14.525 -12.536 -7.352 1.00 72.33 H new ATOM 0 HD2 PRO A 85 -12.780 -10.520 -7.932 1.00 61.22 H new ATOM 0 HD3 PRO A 85 -12.269 -12.196 -7.893 1.00 61.22 H new ATOM 1332 N GLY A 86 -14.688 -11.442 -12.756 1.00 15.52 N ATOM 1333 CA GLY A 86 -15.241 -10.494 -13.723 1.00 41.25 C ATOM 1334 C GLY A 86 -14.153 -9.814 -14.555 1.00 61.10 C ATOM 1335 O GLY A 86 -14.446 -9.039 -15.470 1.00 54.20 O ATOM 0 H GLY A 86 -14.388 -12.330 -13.157 1.00 15.52 H new ATOM 0 HA2 GLY A 86 -15.930 -11.016 -14.387 1.00 41.25 H new ATOM 0 HA3 GLY A 86 -15.819 -9.736 -13.195 1.00 41.25 H new ATOM 1339 N SER A 87 -12.894 -10.110 -14.227 1.00 14.21 N ATOM 1340 CA SER A 87 -11.732 -9.555 -14.938 1.00 22.34 C ATOM 1341 C SER A 87 -10.713 -10.660 -15.252 1.00 0.02 C ATOM 1342 O SER A 87 -10.694 -11.700 -14.596 1.00 31.23 O ATOM 1343 CB SER A 87 -11.053 -8.467 -14.089 1.00 32.44 C ATOM 1344 OG SER A 87 -11.951 -7.415 -13.764 1.00 23.43 O ATOM 0 H SER A 87 -12.647 -10.739 -13.463 1.00 14.21 H new ATOM 0 HA SER A 87 -12.086 -9.117 -15.871 1.00 22.34 H new ATOM 0 HB2 SER A 87 -10.665 -8.911 -13.172 1.00 32.44 H new ATOM 0 HB3 SER A 87 -10.199 -8.062 -14.632 1.00 32.44 H new ATOM 0 HG SER A 87 -11.486 -6.743 -13.223 1.00 23.43 H new ATOM 1350 N THR A 88 -9.869 -10.439 -16.257 1.00 2.33 N ATOM 1351 CA THR A 88 -8.789 -11.389 -16.581 1.00 2.21 C ATOM 1352 C THR A 88 -7.487 -11.026 -15.854 1.00 1.24 C ATOM 1353 O THR A 88 -6.566 -11.840 -15.761 1.00 23.23 O ATOM 1354 CB THR A 88 -8.507 -11.453 -18.103 1.00 41.12 C ATOM 1355 OG1 THR A 88 -7.478 -12.422 -18.380 1.00 35.50 O ATOM 1356 CG2 THR A 88 -8.084 -10.089 -18.647 1.00 65.20 C ATOM 0 H THR A 88 -9.905 -9.618 -16.862 1.00 2.33 H new ATOM 0 HA THR A 88 -9.136 -12.366 -16.245 1.00 2.21 H new ATOM 0 HB THR A 88 -9.431 -11.751 -18.599 1.00 41.12 H new ATOM 0 HG1 THR A 88 -6.860 -12.469 -17.621 1.00 35.50 H new ATOM 0 HG21 THR A 88 -7.893 -10.167 -19.717 1.00 65.20 H new ATOM 0 HG22 THR A 88 -8.880 -9.365 -18.472 1.00 65.20 H new ATOM 0 HG23 THR A 88 -7.177 -9.761 -18.140 1.00 65.20 H new ATOM 1364 N GLN A 89 -7.415 -9.795 -15.353 1.00 44.24 N ATOM 1365 CA GLN A 89 -6.221 -9.302 -14.658 1.00 1.44 C ATOM 1366 C GLN A 89 -6.334 -9.459 -13.131 1.00 72.14 C ATOM 1367 O GLN A 89 -7.431 -9.583 -12.577 1.00 23.43 O ATOM 1368 CB GLN A 89 -5.981 -7.826 -15.007 1.00 5.45 C ATOM 1369 CG GLN A 89 -7.099 -6.894 -14.545 1.00 52.24 C ATOM 1370 CD GLN A 89 -6.816 -5.436 -14.863 1.00 32.22 C ATOM 1371 OE1 GLN A 89 -6.222 -4.721 -14.062 1.00 71.32 O ATOM 1372 NE2 GLN A 89 -7.238 -4.985 -16.026 1.00 43.13 N ATOM 0 H GLN A 89 -8.172 -9.115 -15.414 1.00 44.24 H new ATOM 0 HA GLN A 89 -5.378 -9.905 -14.994 1.00 1.44 H new ATOM 0 HB2 GLN A 89 -5.042 -7.504 -14.556 1.00 5.45 H new ATOM 0 HB3 GLN A 89 -5.865 -7.732 -16.087 1.00 5.45 H new ATOM 0 HG2 GLN A 89 -8.034 -7.191 -15.021 1.00 52.24 H new ATOM 0 HG3 GLN A 89 -7.239 -7.007 -13.470 1.00 52.24 H new ATOM 0 HE21 GLN A 89 -7.729 -5.608 -16.667 1.00 43.13 H new ATOM 0 HE22 GLN A 89 -7.074 -4.012 -16.286 1.00 43.13 H new ATOM 1381 N LYS A 90 -5.187 -9.452 -12.458 1.00 62.14 N ATOM 1382 CA LYS A 90 -5.134 -9.545 -10.994 1.00 61.11 C ATOM 1383 C LYS A 90 -4.880 -8.169 -10.350 1.00 21.14 C ATOM 1384 O LYS A 90 -4.228 -7.303 -10.938 1.00 2.21 O ATOM 1385 CB LYS A 90 -4.036 -10.537 -10.572 1.00 65.10 C ATOM 1386 CG LYS A 90 -2.638 -10.174 -11.075 1.00 62.44 C ATOM 1387 CD LYS A 90 -1.586 -11.202 -10.652 1.00 72.31 C ATOM 1388 CE LYS A 90 -1.840 -12.580 -11.262 1.00 64.50 C ATOM 1389 NZ LYS A 90 -0.808 -13.572 -10.853 1.00 23.43 N ATOM 0 H LYS A 90 -4.272 -9.382 -12.904 1.00 62.14 H new ATOM 0 HA LYS A 90 -6.102 -9.903 -10.644 1.00 61.11 H new ATOM 0 HB2 LYS A 90 -4.014 -10.597 -9.484 1.00 65.10 H new ATOM 0 HB3 LYS A 90 -4.297 -11.529 -10.941 1.00 65.10 H new ATOM 0 HG2 LYS A 90 -2.653 -10.099 -12.162 1.00 62.44 H new ATOM 0 HG3 LYS A 90 -2.359 -9.193 -10.691 1.00 62.44 H new ATOM 0 HD2 LYS A 90 -0.598 -10.851 -10.952 1.00 72.31 H new ATOM 0 HD3 LYS A 90 -1.579 -11.284 -9.565 1.00 72.31 H new ATOM 0 HE2 LYS A 90 -2.824 -12.935 -10.957 1.00 64.50 H new ATOM 0 HE3 LYS A 90 -1.853 -12.498 -12.349 1.00 64.50 H new ATOM 0 HZ1 LYS A 90 -1.019 -14.492 -11.289 1.00 23.43 H new ATOM 0 HZ2 LYS A 90 0.129 -13.247 -11.166 1.00 23.43 H new ATOM 0 HZ3 LYS A 90 -0.812 -13.671 -9.818 1.00 23.43 H new ATOM 1403 N ALA A 91 -5.408 -7.966 -9.145 1.00 63.23 N ATOM 1404 CA ALA A 91 -5.205 -6.713 -8.403 1.00 44.10 C ATOM 1405 C ALA A 91 -4.346 -6.946 -7.152 1.00 12.35 C ATOM 1406 O ALA A 91 -4.462 -7.977 -6.489 1.00 13.11 O ATOM 1407 CB ALA A 91 -6.548 -6.101 -8.018 1.00 22.43 C ATOM 0 H ALA A 91 -5.982 -8.653 -8.656 1.00 63.23 H new ATOM 0 HA ALA A 91 -4.675 -6.017 -9.053 1.00 44.10 H new ATOM 0 HB1 ALA A 91 -6.381 -5.174 -7.469 1.00 22.43 H new ATOM 0 HB2 ALA A 91 -7.124 -5.891 -8.919 1.00 22.43 H new ATOM 0 HB3 ALA A 91 -7.100 -6.800 -7.390 1.00 22.43 H new ATOM 1413 N LEU A 92 -3.489 -5.986 -6.822 1.00 41.23 N ATOM 1414 CA LEU A 92 -2.578 -6.127 -5.680 1.00 31.41 C ATOM 1415 C LEU A 92 -3.214 -5.619 -4.376 1.00 70.04 C ATOM 1416 O LEU A 92 -3.612 -4.457 -4.273 1.00 61.30 O ATOM 1417 CB LEU A 92 -1.265 -5.375 -5.954 1.00 52.24 C ATOM 1418 CG LEU A 92 -0.215 -5.449 -4.829 1.00 54.34 C ATOM 1419 CD1 LEU A 92 0.347 -6.862 -4.708 1.00 41.24 C ATOM 1420 CD2 LEU A 92 0.908 -4.437 -5.067 1.00 33.23 C ATOM 0 H LEU A 92 -3.402 -5.102 -7.324 1.00 41.23 H new ATOM 0 HA LEU A 92 -2.368 -7.189 -5.555 1.00 31.41 H new ATOM 0 HB2 LEU A 92 -0.823 -5.772 -6.868 1.00 52.24 H new ATOM 0 HB3 LEU A 92 -1.498 -4.327 -6.142 1.00 52.24 H new ATOM 0 HG LEU A 92 -0.705 -5.196 -3.889 1.00 54.34 H new ATOM 0 HD11 LEU A 92 1.087 -6.892 -3.908 1.00 41.24 H new ATOM 0 HD12 LEU A 92 -0.462 -7.557 -4.481 1.00 41.24 H new ATOM 0 HD13 LEU A 92 0.818 -7.148 -5.648 1.00 41.24 H new ATOM 0 HD21 LEU A 92 1.638 -4.507 -4.260 1.00 33.23 H new ATOM 0 HD22 LEU A 92 1.396 -4.652 -6.018 1.00 33.23 H new ATOM 0 HD23 LEU A 92 0.491 -3.430 -5.093 1.00 33.23 H new ATOM 1432 N TYR A 93 -3.299 -6.499 -3.380 1.00 2.52 N ATOM 1433 CA TYR A 93 -3.820 -6.134 -2.056 1.00 73.41 C ATOM 1434 C TYR A 93 -2.722 -6.192 -0.986 1.00 70.25 C ATOM 1435 O TYR A 93 -1.829 -7.042 -1.037 1.00 11.13 O ATOM 1436 CB TYR A 93 -4.998 -7.036 -1.670 1.00 1.10 C ATOM 1437 CG TYR A 93 -6.271 -6.742 -2.446 1.00 20.21 C ATOM 1438 CD1 TYR A 93 -6.389 -7.056 -3.797 1.00 73.25 C ATOM 1439 CD2 TYR A 93 -7.356 -6.137 -1.821 1.00 13.51 C ATOM 1440 CE1 TYR A 93 -7.548 -6.777 -4.496 1.00 21.03 C ATOM 1441 CE2 TYR A 93 -8.517 -5.858 -2.513 1.00 14.34 C ATOM 1442 CZ TYR A 93 -8.608 -6.177 -3.848 1.00 61.31 C ATOM 1443 OH TYR A 93 -9.764 -5.895 -4.538 1.00 32.41 O ATOM 0 H TYR A 93 -3.013 -7.475 -3.462 1.00 2.52 H new ATOM 0 HA TYR A 93 -4.175 -5.105 -2.112 1.00 73.41 H new ATOM 0 HB2 TYR A 93 -4.716 -8.076 -1.832 1.00 1.10 H new ATOM 0 HB3 TYR A 93 -5.198 -6.922 -0.605 1.00 1.10 H new ATOM 0 HD1 TYR A 93 -5.561 -7.525 -4.307 1.00 73.25 H new ATOM 0 HD2 TYR A 93 -7.289 -5.881 -0.774 1.00 13.51 H new ATOM 0 HE1 TYR A 93 -7.624 -7.027 -5.544 1.00 21.03 H new ATOM 0 HE2 TYR A 93 -9.350 -5.391 -2.009 1.00 14.34 H new ATOM 0 HH TYR A 93 -10.411 -5.474 -3.934 1.00 32.41 H new ATOM 1453 N LEU A 94 -2.802 -5.278 -0.019 1.00 41.04 N ATOM 1454 CA LEU A 94 -1.760 -5.126 1.005 1.00 62.33 C ATOM 1455 C LEU A 94 -2.340 -5.232 2.432 1.00 35.14 C ATOM 1456 O LEU A 94 -3.514 -4.938 2.660 1.00 72.35 O ATOM 1457 CB LEU A 94 -1.081 -3.753 0.839 1.00 22.32 C ATOM 1458 CG LEU A 94 -0.614 -3.401 -0.586 1.00 3.14 C ATOM 1459 CD1 LEU A 94 -0.027 -1.991 -0.630 1.00 13.23 C ATOM 1460 CD2 LEU A 94 0.397 -4.422 -1.099 1.00 74.11 C ATOM 0 H LEU A 94 -3.581 -4.627 0.079 1.00 41.04 H new ATOM 0 HA LEU A 94 -1.038 -5.932 0.871 1.00 62.33 H new ATOM 0 HB2 LEU A 94 -1.776 -2.983 1.173 1.00 22.32 H new ATOM 0 HB3 LEU A 94 -0.218 -3.713 1.503 1.00 22.32 H new ATOM 0 HG LEU A 94 -1.484 -3.430 -1.242 1.00 3.14 H new ATOM 0 HD11 LEU A 94 0.296 -1.763 -1.646 1.00 13.23 H new ATOM 0 HD12 LEU A 94 -0.785 -1.271 -0.321 1.00 13.23 H new ATOM 0 HD13 LEU A 94 0.827 -1.931 0.045 1.00 13.23 H new ATOM 0 HD21 LEU A 94 0.710 -4.149 -2.107 1.00 74.11 H new ATOM 0 HD22 LEU A 94 1.266 -4.436 -0.441 1.00 74.11 H new ATOM 0 HD23 LEU A 94 -0.061 -5.411 -1.116 1.00 74.11 H new ATOM 1472 N ARG A 95 -1.504 -5.654 3.382 1.00 35.35 N ATOM 1473 CA ARG A 95 -1.850 -5.621 4.818 1.00 14.00 C ATOM 1474 C ARG A 95 -0.592 -5.423 5.679 1.00 13.13 C ATOM 1475 O ARG A 95 0.529 -5.524 5.186 1.00 65.35 O ATOM 1476 CB ARG A 95 -2.581 -6.895 5.273 1.00 63.22 C ATOM 1477 CG ARG A 95 -1.797 -8.180 5.039 1.00 21.24 C ATOM 1478 CD ARG A 95 -2.417 -9.365 5.773 1.00 34.15 C ATOM 1479 NE ARG A 95 -3.857 -9.486 5.544 1.00 4.20 N ATOM 1480 CZ ARG A 95 -4.631 -10.312 6.199 1.00 44.03 C ATOM 1481 NH1 ARG A 95 -4.145 -11.065 7.135 1.00 11.14 N ATOM 1482 NH2 ARG A 95 -5.890 -10.377 5.920 1.00 2.25 N ATOM 0 H ARG A 95 -0.574 -6.026 3.188 1.00 35.35 H new ATOM 0 HA ARG A 95 -2.525 -4.776 4.954 1.00 14.00 H new ATOM 0 HB2 ARG A 95 -2.809 -6.810 6.335 1.00 63.22 H new ATOM 0 HB3 ARG A 95 -3.533 -6.962 4.747 1.00 63.22 H new ATOM 0 HG2 ARG A 95 -1.760 -8.393 3.971 1.00 21.24 H new ATOM 0 HG3 ARG A 95 -0.768 -8.044 5.373 1.00 21.24 H new ATOM 0 HD2 ARG A 95 -1.925 -10.283 5.452 1.00 34.15 H new ATOM 0 HD3 ARG A 95 -2.232 -9.261 6.842 1.00 34.15 H new ATOM 0 HE ARG A 95 -4.282 -8.892 4.832 1.00 4.20 H new ATOM 0 HH11 ARG A 95 -3.153 -11.016 7.365 1.00 11.14 H new ATOM 0 HH12 ARG A 95 -4.755 -11.707 7.641 1.00 11.14 H new ATOM 0 HH21 ARG A 95 -6.282 -9.784 5.188 1.00 2.25 H new ATOM 0 HH22 ARG A 95 -6.493 -11.021 6.431 1.00 2.25 H new ATOM 1496 N ALA A 96 -0.782 -5.136 6.963 1.00 53.23 N ATOM 1497 CA ALA A 96 0.341 -4.917 7.884 1.00 42.12 C ATOM 1498 C ALA A 96 1.009 -6.237 8.318 1.00 21.02 C ATOM 1499 O ALA A 96 0.340 -7.253 8.514 1.00 3.33 O ATOM 1500 CB ALA A 96 -0.137 -4.146 9.111 1.00 42.01 C ATOM 0 H ALA A 96 -1.702 -5.048 7.395 1.00 53.23 H new ATOM 0 HA ALA A 96 1.092 -4.335 7.350 1.00 42.12 H new ATOM 0 HB1 ALA A 96 0.701 -3.987 9.790 1.00 42.01 H new ATOM 0 HB2 ALA A 96 -0.541 -3.182 8.801 1.00 42.01 H new ATOM 0 HB3 ALA A 96 -0.913 -4.717 9.620 1.00 42.01 H new ATOM 1506 N LYS A 97 2.334 -6.211 8.469 1.00 40.23 N ATOM 1507 CA LYS A 97 3.084 -7.372 8.965 1.00 43.42 C ATOM 1508 C LYS A 97 2.970 -7.475 10.498 1.00 40.35 C ATOM 1509 O LYS A 97 3.502 -6.639 11.227 1.00 61.31 O ATOM 1510 CB LYS A 97 4.561 -7.260 8.550 1.00 73.23 C ATOM 1511 CG LYS A 97 5.450 -8.397 9.059 1.00 15.12 C ATOM 1512 CD LYS A 97 5.211 -9.716 8.321 1.00 71.12 C ATOM 1513 CE LYS A 97 5.630 -9.632 6.855 1.00 63.04 C ATOM 1514 NZ LYS A 97 5.634 -10.965 6.192 1.00 43.44 N ATOM 0 H LYS A 97 2.913 -5.399 8.255 1.00 40.23 H new ATOM 0 HA LYS A 97 2.659 -8.274 8.526 1.00 43.42 H new ATOM 0 HB2 LYS A 97 4.618 -7.230 7.462 1.00 73.23 H new ATOM 0 HB3 LYS A 97 4.958 -6.313 8.917 1.00 73.23 H new ATOM 0 HG2 LYS A 97 6.496 -8.110 8.950 1.00 15.12 H new ATOM 0 HG3 LYS A 97 5.269 -8.544 10.124 1.00 15.12 H new ATOM 0 HD2 LYS A 97 5.768 -10.513 8.813 1.00 71.12 H new ATOM 0 HD3 LYS A 97 4.155 -9.980 8.382 1.00 71.12 H new ATOM 0 HE2 LYS A 97 4.951 -8.966 6.323 1.00 63.04 H new ATOM 0 HE3 LYS A 97 6.625 -9.192 6.788 1.00 63.04 H new ATOM 0 HZ1 LYS A 97 5.925 -10.858 5.199 1.00 43.44 H new ATOM 0 HZ2 LYS A 97 6.301 -11.594 6.682 1.00 43.44 H new ATOM 0 HZ3 LYS A 97 4.679 -11.375 6.231 1.00 43.44 H new ATOM 1528 N LEU A 98 2.266 -8.500 10.980 1.00 20.32 N ATOM 1529 CA LEU A 98 2.030 -8.669 12.421 1.00 32.22 C ATOM 1530 C LEU A 98 2.618 -9.986 12.955 1.00 5.11 C ATOM 1531 O LEU A 98 2.183 -11.075 12.577 1.00 50.33 O ATOM 1532 CB LEU A 98 0.523 -8.612 12.716 1.00 63.40 C ATOM 1533 CG LEU A 98 -0.163 -7.278 12.373 1.00 21.12 C ATOM 1534 CD1 LEU A 98 -1.658 -7.345 12.675 1.00 41.51 C ATOM 1535 CD2 LEU A 98 0.490 -6.123 13.132 1.00 64.41 C ATOM 0 H LEU A 98 1.849 -9.226 10.398 1.00 20.32 H new ATOM 0 HA LEU A 98 2.538 -7.852 12.933 1.00 32.22 H new ATOM 0 HB2 LEU A 98 0.030 -9.409 12.159 1.00 63.40 H new ATOM 0 HB3 LEU A 98 0.368 -8.820 13.775 1.00 63.40 H new ATOM 0 HG LEU A 98 -0.039 -7.097 11.305 1.00 21.12 H new ATOM 0 HD11 LEU A 98 -2.123 -6.391 12.425 1.00 41.51 H new ATOM 0 HD12 LEU A 98 -2.114 -8.137 12.082 1.00 41.51 H new ATOM 0 HD13 LEU A 98 -1.806 -7.554 13.734 1.00 41.51 H new ATOM 0 HD21 LEU A 98 -0.010 -5.189 12.875 1.00 64.41 H new ATOM 0 HD22 LEU A 98 0.404 -6.297 14.204 1.00 64.41 H new ATOM 0 HD23 LEU A 98 1.543 -6.057 12.859 1.00 64.41 H new ATOM 1547 N GLU A 99 3.610 -9.869 13.834 1.00 55.30 N ATOM 1548 CA GLU A 99 4.207 -11.030 14.507 1.00 55.15 C ATOM 1549 C GLU A 99 4.864 -10.606 15.834 1.00 53.04 C ATOM 1550 O GLU A 99 4.679 -9.471 16.282 1.00 11.11 O ATOM 1551 CB GLU A 99 5.206 -11.742 13.570 1.00 41.54 C ATOM 1552 CG GLU A 99 6.397 -10.894 13.109 1.00 11.12 C ATOM 1553 CD GLU A 99 7.595 -10.951 14.048 1.00 50.20 C ATOM 1554 OE1 GLU A 99 7.742 -11.956 14.776 1.00 1.31 O ATOM 1555 OE2 GLU A 99 8.409 -9.999 14.042 1.00 15.02 O ATOM 0 H GLU A 99 4.023 -8.976 14.102 1.00 55.30 H new ATOM 0 HA GLU A 99 3.419 -11.744 14.747 1.00 55.15 H new ATOM 0 HB2 GLU A 99 5.588 -12.627 14.079 1.00 41.54 H new ATOM 0 HB3 GLU A 99 4.667 -12.089 12.689 1.00 41.54 H new ATOM 0 HG2 GLU A 99 6.707 -11.229 12.119 1.00 11.12 H new ATOM 0 HG3 GLU A 99 6.075 -9.857 13.009 1.00 11.12 H new ATOM 1562 N HIS A 100 5.602 -11.513 16.477 1.00 22.03 N ATOM 1563 CA HIS A 100 6.220 -11.211 17.783 1.00 10.44 C ATOM 1564 C HIS A 100 7.323 -12.209 18.191 1.00 60.41 C ATOM 1565 O HIS A 100 7.979 -12.015 19.213 1.00 1.45 O ATOM 1566 CB HIS A 100 5.139 -11.159 18.880 1.00 3.20 C ATOM 1567 CG HIS A 100 4.127 -12.266 18.792 1.00 4.24 C ATOM 1568 ND1 HIS A 100 2.773 -12.030 18.732 1.00 65.42 N ATOM 1569 CD2 HIS A 100 4.270 -13.616 18.756 1.00 1.33 C ATOM 1570 CE1 HIS A 100 2.127 -13.178 18.663 1.00 13.41 C ATOM 1571 NE2 HIS A 100 3.009 -14.158 18.673 1.00 21.21 N ATOM 0 H HIS A 100 5.789 -12.452 16.126 1.00 22.03 H new ATOM 0 HA HIS A 100 6.701 -10.239 17.674 1.00 10.44 H new ATOM 0 HB2 HIS A 100 5.623 -11.200 19.856 1.00 3.20 H new ATOM 0 HB3 HIS A 100 4.621 -10.202 18.821 1.00 3.20 H new ATOM 0 HD2 HIS A 100 5.201 -14.162 18.787 1.00 1.33 H new ATOM 0 HE1 HIS A 100 1.055 -13.296 18.608 1.00 13.41 H new ATOM 0 HE2 HIS A 100 2.792 -15.154 18.627 1.00 21.21 H new ATOM 1580 N HIS A 101 7.500 -13.282 17.418 1.00 23.31 N ATOM 1581 CA HIS A 101 8.483 -14.347 17.727 1.00 50.02 C ATOM 1582 C HIS A 101 8.161 -15.130 19.021 1.00 43.41 C ATOM 1583 O HIS A 101 8.614 -16.259 19.190 1.00 51.14 O ATOM 1584 CB HIS A 101 9.904 -13.773 17.825 1.00 4.32 C ATOM 1585 CG HIS A 101 10.403 -13.178 16.545 1.00 15.51 C ATOM 1586 ND1 HIS A 101 10.832 -13.944 15.486 1.00 2.40 N ATOM 1587 CD2 HIS A 101 10.537 -11.889 16.151 1.00 30.50 C ATOM 1588 CE1 HIS A 101 11.208 -13.159 14.499 1.00 40.23 C ATOM 1589 NE2 HIS A 101 11.041 -11.907 14.873 1.00 52.23 N ATOM 0 H HIS A 101 6.973 -13.446 16.561 1.00 23.31 H new ATOM 0 HA HIS A 101 8.419 -15.050 16.897 1.00 50.02 H new ATOM 0 HB2 HIS A 101 9.925 -13.009 18.603 1.00 4.32 H new ATOM 0 HB3 HIS A 101 10.585 -14.565 18.137 1.00 4.32 H new ATOM 0 HD2 HIS A 101 10.293 -11.012 16.732 1.00 30.50 H new ATOM 0 HE1 HIS A 101 11.589 -13.486 13.543 1.00 40.23 H new ATOM 0 HE2 HIS A 101 11.251 -11.085 14.306 1.00 52.23 H new ATOM 1598 N HIS A 102 7.392 -14.534 19.932 1.00 21.44 N ATOM 1599 CA HIS A 102 7.110 -15.144 21.233 1.00 52.54 C ATOM 1600 C HIS A 102 6.186 -16.369 21.121 1.00 43.31 C ATOM 1601 O HIS A 102 4.975 -16.272 21.329 1.00 60.41 O ATOM 1602 CB HIS A 102 6.493 -14.103 22.178 1.00 2.41 C ATOM 1603 CG HIS A 102 6.327 -14.584 23.592 1.00 50.51 C ATOM 1604 ND1 HIS A 102 5.236 -15.305 24.026 1.00 74.11 N ATOM 1605 CD2 HIS A 102 7.129 -14.445 24.674 1.00 62.42 C ATOM 1606 CE1 HIS A 102 5.373 -15.584 25.306 1.00 55.24 C ATOM 1607 NE2 HIS A 102 6.512 -15.077 25.724 1.00 1.23 N ATOM 0 H HIS A 102 6.951 -13.625 19.793 1.00 21.44 H new ATOM 0 HA HIS A 102 8.059 -15.494 21.638 1.00 52.54 H new ATOM 0 HB2 HIS A 102 7.120 -13.212 22.180 1.00 2.41 H new ATOM 0 HB3 HIS A 102 5.519 -13.806 21.789 1.00 2.41 H new ATOM 0 HD1 HIS A 102 4.444 -15.580 23.445 1.00 74.11 H new ATOM 0 HD2 HIS A 102 8.079 -13.932 24.705 1.00 62.42 H new ATOM 0 HE1 HIS A 102 4.669 -16.136 25.910 1.00 55.24 H new ATOM 1616 N HIS A 103 6.761 -17.509 20.761 1.00 72.53 N ATOM 1617 CA HIS A 103 6.051 -18.789 20.816 1.00 50.43 C ATOM 1618 C HIS A 103 6.518 -19.569 22.058 1.00 53.00 C ATOM 1619 O HIS A 103 5.792 -20.406 22.603 1.00 40.02 O ATOM 1620 CB HIS A 103 6.300 -19.589 19.529 1.00 32.22 C ATOM 1621 CG HIS A 103 5.362 -20.744 19.334 1.00 43.32 C ATOM 1622 ND1 HIS A 103 5.767 -22.061 19.356 1.00 11.31 N ATOM 1623 CD2 HIS A 103 4.029 -20.769 19.094 1.00 72.43 C ATOM 1624 CE1 HIS A 103 4.727 -22.842 19.138 1.00 12.40 C ATOM 1625 NE2 HIS A 103 3.663 -22.086 18.980 1.00 14.04 N ATOM 0 H HIS A 103 7.722 -17.578 20.426 1.00 72.53 H new ATOM 0 HA HIS A 103 4.978 -18.615 20.894 1.00 50.43 H new ATOM 0 HB2 HIS A 103 6.215 -18.918 18.675 1.00 32.22 H new ATOM 0 HB3 HIS A 103 7.323 -19.964 19.539 1.00 32.22 H new ATOM 0 HD2 HIS A 103 3.377 -19.912 19.008 1.00 72.43 H new ATOM 0 HE1 HIS A 103 4.746 -23.921 19.096 1.00 12.40 H new ATOM 0 HE2 HIS A 103 2.717 -22.424 18.801 1.00 14.04 H new ATOM 1634 N HIS A 104 7.749 -19.282 22.487 1.00 12.42 N ATOM 1635 CA HIS A 104 8.277 -19.746 23.776 1.00 61.10 C ATOM 1636 C HIS A 104 8.292 -18.584 24.787 1.00 52.45 C ATOM 1637 O HIS A 104 7.837 -17.482 24.475 1.00 52.53 O ATOM 1638 CB HIS A 104 9.702 -20.290 23.603 1.00 2.34 C ATOM 1639 CG HIS A 104 9.793 -21.457 22.667 1.00 62.04 C ATOM 1640 ND1 HIS A 104 9.346 -22.718 22.999 1.00 64.03 N ATOM 1641 CD2 HIS A 104 10.283 -21.557 21.409 1.00 51.20 C ATOM 1642 CE1 HIS A 104 9.557 -23.537 21.991 1.00 71.52 C ATOM 1643 NE2 HIS A 104 10.122 -22.862 21.014 1.00 62.01 N ATOM 0 H HIS A 104 8.411 -18.720 21.951 1.00 12.42 H new ATOM 0 HA HIS A 104 7.633 -20.543 24.148 1.00 61.10 H new ATOM 0 HB2 HIS A 104 10.344 -19.490 23.235 1.00 2.34 H new ATOM 0 HB3 HIS A 104 10.089 -20.587 24.578 1.00 2.34 H new ATOM 0 HD2 HIS A 104 10.719 -20.760 20.825 1.00 51.20 H new ATOM 0 HE1 HIS A 104 9.308 -24.588 21.970 1.00 71.52 H new ATOM 0 HE2 HIS A 104 10.396 -23.246 20.110 1.00 62.01 H new ATOM 1652 N HIS A 105 8.813 -18.825 25.991 1.00 40.24 N ATOM 1653 CA HIS A 105 8.935 -17.757 27.003 1.00 2.41 C ATOM 1654 C HIS A 105 9.946 -16.663 26.585 1.00 71.13 C ATOM 1655 O HIS A 105 11.168 -16.914 26.631 1.00 37.14 O ATOM 1656 CB HIS A 105 9.291 -18.341 28.385 1.00 21.31 C ATOM 1657 CG HIS A 105 10.406 -19.351 28.382 1.00 62.05 C ATOM 1658 ND1 HIS A 105 11.722 -19.029 28.136 1.00 41.22 N ATOM 1659 CD2 HIS A 105 10.392 -20.685 28.612 1.00 43.11 C ATOM 1660 CE1 HIS A 105 12.465 -20.111 28.216 1.00 71.21 C ATOM 1661 NE2 HIS A 105 11.685 -21.129 28.505 1.00 2.12 N ATOM 1662 OXT HIS A 105 9.509 -15.552 26.217 1.00 37.14 O ATOM 0 H HIS A 105 9.156 -19.737 26.294 1.00 40.24 H new ATOM 0 HA HIS A 105 7.959 -17.276 27.075 1.00 2.41 H new ATOM 0 HB2 HIS A 105 9.566 -17.521 29.049 1.00 21.31 H new ATOM 0 HB3 HIS A 105 8.400 -18.807 28.806 1.00 21.31 H new ATOM 0 HD1 HIS A 105 12.068 -18.093 27.924 1.00 41.22 H new ATOM 0 HD2 HIS A 105 9.524 -21.287 28.838 1.00 43.11 H new ATOM 0 HE1 HIS A 105 13.534 -20.156 28.069 1.00 71.21 H new TER 1671 HIS A 105