USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 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 131 HIS : no HD1:sc= 0.838 K(o=1.8,f=-4.8!) USER MOD Set 1.2: A 132 THR OG1 : rot -75:sc= 0.998 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.782 K(o=-0.86,f=-0.17) USER MOD Set 2.2: A 96 TYR OH : rot 180:sc= -0.0786 USER MOD Set 3.1: A 44 SER OG : rot 20:sc= 0.952 USER MOD Set 3.2: A 90 TYR OH : rot 171:sc= 0.294 USER MOD Set 4.1: A 17 LYS NZ :NH3+ -164:sc= -1.5 (180deg=-1.66) USER MOD Set 4.2: A 34 THR OG1 : rot 180:sc=-0.00292 USER MOD Set 5.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00539 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.122 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -109:sc= 0.187 USER MOD Single : A 22 GLN : amide:sc= 0.469 K(o=0.47,f=-6.5!) USER MOD Single : A 29 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.67) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0045 USER MOD Single : A 37 CYS SG : rot -130:sc= -0.0856 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.785! K(o=-0.78!,f=-0.14) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.264 K(o=-0.26,f=-8.4!) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0.27 (180deg=0.249) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.158 K(o=0.16,f=-2.2!) USER MOD Single : A 65 ASN : amide:sc= -0.0515 K(o=-0.051,f=-2.8!) USER MOD Single : A 67 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.57) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0034 K(o=-0.0034,f=-1.7) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 75:sc= 0.00304 USER MOD Single : A 101 ASN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.192 X(o=0.19,f=-0.001) USER MOD Single : A 108 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.023) USER MOD Single : A 109 TYR OH : rot 144:sc= 1.44 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.007 -12.549 -27.611 1.00 11.24 N ATOM 2 CA GLY A 1 -4.303 -11.873 -27.737 1.00 73.11 C ATOM 3 C GLY A 1 -5.362 -12.625 -26.955 1.00 20.15 C ATOM 4 O GLY A 1 -5.983 -13.543 -27.488 1.00 21.22 O ATOM 0 H1 GLY A 1 -2.288 -12.025 -28.151 1.00 11.24 H new ATOM 0 H2 GLY A 1 -2.730 -12.585 -26.609 1.00 11.24 H new ATOM 0 H3 GLY A 1 -3.083 -13.517 -27.984 1.00 11.24 H new ATOM 0 HA2 GLY A 1 -4.226 -10.850 -27.368 1.00 73.11 H new ATOM 0 HA3 GLY A 1 -4.590 -11.813 -28.787 1.00 73.11 H new ATOM 8 N MET A 2 -5.548 -12.271 -25.684 1.00 21.11 N ATOM 9 CA MET A 2 -6.541 -12.825 -24.766 1.00 20.42 C ATOM 10 C MET A 2 -6.858 -11.761 -23.710 1.00 40.02 C ATOM 11 O MET A 2 -6.164 -10.742 -23.632 1.00 23.43 O ATOM 12 CB MET A 2 -6.005 -14.114 -24.109 1.00 32.22 C ATOM 13 CG MET A 2 -4.635 -13.935 -23.440 1.00 72.20 C ATOM 14 SD MET A 2 -4.159 -15.270 -22.316 1.00 34.12 S ATOM 15 CE MET A 2 -2.550 -14.630 -21.774 1.00 73.41 C ATOM 0 H MET A 2 -4.978 -11.549 -25.243 1.00 21.11 H new ATOM 0 HA MET A 2 -7.450 -13.089 -25.306 1.00 20.42 H new ATOM 0 HB2 MET A 2 -6.722 -14.458 -23.364 1.00 32.22 H new ATOM 0 HB3 MET A 2 -5.932 -14.895 -24.866 1.00 32.22 H new ATOM 0 HG2 MET A 2 -3.876 -13.845 -24.217 1.00 72.20 H new ATOM 0 HG3 MET A 2 -4.637 -12.996 -22.886 1.00 72.20 H new ATOM 0 HE1 MET A 2 -2.100 -15.328 -21.068 1.00 73.41 H new ATOM 0 HE2 MET A 2 -1.895 -14.514 -22.637 1.00 73.41 H new ATOM 0 HE3 MET A 2 -2.687 -13.663 -21.290 1.00 73.41 H new ATOM 23 N THR A 3 -7.876 -11.974 -22.879 1.00 55.21 N ATOM 24 CA THR A 3 -8.073 -11.182 -21.666 1.00 33.12 C ATOM 25 C THR A 3 -6.951 -11.488 -20.659 1.00 11.15 C ATOM 26 O THR A 3 -6.265 -12.506 -20.795 1.00 72.21 O ATOM 27 CB THR A 3 -9.453 -11.513 -21.063 1.00 75.33 C ATOM 28 OG1 THR A 3 -9.613 -12.913 -20.937 1.00 34.54 O ATOM 29 CG2 THR A 3 -10.582 -10.983 -21.953 1.00 33.45 C ATOM 0 H THR A 3 -8.583 -12.695 -23.025 1.00 55.21 H new ATOM 0 HA THR A 3 -8.039 -10.119 -21.906 1.00 33.12 H new ATOM 0 HB THR A 3 -9.503 -11.037 -20.084 1.00 75.33 H new ATOM 0 HG1 THR A 3 -10.493 -13.108 -20.551 1.00 34.54 H new ATOM 0 HG21 THR A 3 -11.545 -11.230 -21.505 1.00 33.45 H new ATOM 0 HG22 THR A 3 -10.493 -9.901 -22.048 1.00 33.45 H new ATOM 0 HG23 THR A 3 -10.513 -11.441 -22.940 1.00 33.45 H new ATOM 37 N PRO A 4 -6.765 -10.665 -19.616 1.00 44.42 N ATOM 38 CA PRO A 4 -6.107 -11.106 -18.390 1.00 14.05 C ATOM 39 C PRO A 4 -6.991 -12.128 -17.656 1.00 53.04 C ATOM 40 O PRO A 4 -8.110 -12.433 -18.092 1.00 23.23 O ATOM 41 CB PRO A 4 -5.892 -9.828 -17.575 1.00 72.20 C ATOM 42 CG PRO A 4 -7.062 -8.946 -18.005 1.00 40.12 C ATOM 43 CD PRO A 4 -7.261 -9.305 -19.475 1.00 12.14 C ATOM 0 HA PRO A 4 -5.159 -11.612 -18.572 1.00 14.05 H new ATOM 0 HB2 PRO A 4 -5.908 -10.025 -16.503 1.00 72.20 H new ATOM 0 HB3 PRO A 4 -4.932 -9.363 -17.799 1.00 72.20 H new ATOM 0 HG2 PRO A 4 -7.957 -9.152 -17.417 1.00 40.12 H new ATOM 0 HG3 PRO A 4 -6.834 -7.888 -17.878 1.00 40.12 H new ATOM 0 HD2 PRO A 4 -8.312 -9.240 -19.756 1.00 12.14 H new ATOM 0 HD3 PRO A 4 -6.715 -8.619 -20.123 1.00 12.14 H new ATOM 48 N GLN A 5 -6.492 -12.658 -16.537 1.00 12.42 N ATOM 49 CA GLN A 5 -7.231 -13.541 -15.643 1.00 41.12 C ATOM 50 C GLN A 5 -6.648 -13.393 -14.227 1.00 33.32 C ATOM 51 O GLN A 5 -5.437 -13.190 -14.083 1.00 74.21 O ATOM 52 CB GLN A 5 -7.118 -14.981 -16.185 1.00 44.34 C ATOM 53 CG GLN A 5 -8.362 -15.815 -15.870 1.00 2.24 C ATOM 54 CD GLN A 5 -8.351 -17.188 -16.542 1.00 4.01 C ATOM 55 OE1 GLN A 5 -7.714 -17.424 -17.570 1.00 51.00 O ATOM 56 NE2 GLN A 5 -9.086 -18.134 -15.986 1.00 52.32 N ATOM 0 H GLN A 5 -5.538 -12.478 -16.223 1.00 12.42 H new ATOM 0 HA GLN A 5 -8.290 -13.286 -15.594 1.00 41.12 H new ATOM 0 HB2 GLN A 5 -6.966 -14.951 -17.264 1.00 44.34 H new ATOM 0 HB3 GLN A 5 -6.241 -15.462 -15.753 1.00 44.34 H new ATOM 0 HG2 GLN A 5 -8.440 -15.946 -14.791 1.00 2.24 H new ATOM 0 HG3 GLN A 5 -9.249 -15.268 -16.190 1.00 2.24 H new ATOM 0 HE21 GLN A 5 -9.613 -17.937 -15.135 1.00 52.32 H new ATOM 0 HE22 GLN A 5 -9.127 -19.062 -16.408 1.00 52.32 H new ATOM 63 N SER A 6 -7.475 -13.481 -13.181 1.00 63.41 N ATOM 64 CA SER A 6 -7.083 -13.242 -11.785 1.00 34.41 C ATOM 65 C SER A 6 -6.491 -14.488 -11.129 1.00 42.20 C ATOM 66 O SER A 6 -6.899 -14.903 -10.038 1.00 1.33 O ATOM 67 CB SER A 6 -8.292 -12.731 -11.001 1.00 54.32 C ATOM 68 OG SER A 6 -9.439 -13.535 -11.236 1.00 35.55 O ATOM 0 H SER A 6 -8.460 -13.726 -13.282 1.00 63.41 H new ATOM 0 HA SER A 6 -6.297 -12.487 -11.776 1.00 34.41 H new ATOM 0 HB2 SER A 6 -8.061 -12.726 -9.936 1.00 54.32 H new ATOM 0 HB3 SER A 6 -8.503 -11.700 -11.286 1.00 54.32 H new ATOM 0 HG SER A 6 -10.195 -13.185 -10.720 1.00 35.55 H new ATOM 73 N ASP A 7 -5.596 -15.156 -11.838 1.00 55.31 N ATOM 74 CA ASP A 7 -5.008 -16.438 -11.448 1.00 60.13 C ATOM 75 C ASP A 7 -3.760 -16.233 -10.579 1.00 72.42 C ATOM 76 O ASP A 7 -2.962 -17.147 -10.367 1.00 20.15 O ATOM 77 CB ASP A 7 -4.747 -17.261 -12.713 1.00 31.24 C ATOM 78 CG ASP A 7 -5.999 -18.063 -13.082 1.00 54.31 C ATOM 79 OD1 ASP A 7 -7.054 -17.440 -13.340 1.00 43.00 O ATOM 80 OD2 ASP A 7 -5.978 -19.312 -13.016 1.00 24.13 O ATOM 0 H ASP A 7 -5.243 -14.814 -12.732 1.00 55.31 H new ATOM 0 HA ASP A 7 -5.701 -17.000 -10.822 1.00 60.13 H new ATOM 0 HB2 ASP A 7 -4.472 -16.601 -13.536 1.00 31.24 H new ATOM 0 HB3 ASP A 7 -3.907 -17.936 -12.551 1.00 31.24 H new ATOM 84 N THR A 8 -3.607 -15.012 -10.082 1.00 44.04 N ATOM 85 CA THR A 8 -2.502 -14.472 -9.308 1.00 75.40 C ATOM 86 C THR A 8 -2.104 -15.327 -8.088 1.00 42.32 C ATOM 87 O THR A 8 -2.961 -15.996 -7.499 1.00 53.11 O ATOM 88 CB THR A 8 -2.913 -13.046 -8.885 1.00 24.21 C ATOM 89 OG1 THR A 8 -4.322 -12.865 -8.774 1.00 21.31 O ATOM 90 CG2 THR A 8 -2.421 -12.018 -9.896 1.00 53.11 C ATOM 0 H THR A 8 -4.329 -14.306 -10.227 1.00 44.04 H new ATOM 0 HA THR A 8 -1.606 -14.470 -9.929 1.00 75.40 H new ATOM 0 HB THR A 8 -2.457 -12.907 -7.905 1.00 24.21 H new ATOM 0 HG1 THR A 8 -4.509 -12.001 -8.352 1.00 21.31 H new ATOM 0 HG21 THR A 8 -2.723 -11.020 -9.577 1.00 53.11 H new ATOM 0 HG22 THR A 8 -1.334 -12.065 -9.963 1.00 53.11 H new ATOM 0 HG23 THR A 8 -2.854 -12.233 -10.873 1.00 53.11 H new ATOM 98 N PRO A 9 -0.827 -15.278 -7.662 1.00 34.44 N ATOM 99 CA PRO A 9 -0.342 -16.020 -6.504 1.00 73.12 C ATOM 100 C PRO A 9 -0.996 -15.533 -5.212 1.00 62.23 C ATOM 101 O PRO A 9 -1.494 -14.405 -5.116 1.00 71.53 O ATOM 102 CB PRO A 9 1.174 -15.822 -6.481 1.00 75.20 C ATOM 103 CG PRO A 9 1.391 -14.529 -7.257 1.00 34.22 C ATOM 104 CD PRO A 9 0.253 -14.513 -8.268 1.00 31.15 C ATOM 0 HA PRO A 9 -0.597 -17.077 -6.578 1.00 73.12 H new ATOM 0 HB2 PRO A 9 1.550 -15.743 -5.461 1.00 75.20 H new ATOM 0 HB3 PRO A 9 1.693 -16.659 -6.948 1.00 75.20 H new ATOM 0 HG2 PRO A 9 1.355 -13.659 -6.601 1.00 34.22 H new ATOM 0 HG3 PRO A 9 2.363 -14.517 -7.750 1.00 34.22 H new ATOM 0 HD2 PRO A 9 -0.064 -13.493 -8.484 1.00 31.15 H new ATOM 0 HD3 PRO A 9 0.564 -14.957 -9.214 1.00 31.15 H new ATOM 109 N LYS A 10 -0.947 -16.391 -4.194 1.00 43.02 N ATOM 110 CA LYS A 10 -1.528 -16.161 -2.880 1.00 64.20 C ATOM 111 C LYS A 10 -0.410 -15.867 -1.900 1.00 23.32 C ATOM 112 O LYS A 10 0.642 -16.516 -1.917 1.00 51.14 O ATOM 113 CB LYS A 10 -2.374 -17.368 -2.445 1.00 42.43 C ATOM 114 CG LYS A 10 -3.767 -17.321 -3.109 1.00 51.42 C ATOM 115 CD LYS A 10 -4.013 -18.457 -4.099 1.00 70.52 C ATOM 116 CE LYS A 10 -4.246 -19.789 -3.386 1.00 25.23 C ATOM 117 NZ LYS A 10 -4.171 -20.923 -4.329 1.00 25.13 N ATOM 0 H LYS A 10 -0.484 -17.297 -4.268 1.00 43.02 H new ATOM 0 HA LYS A 10 -2.200 -15.303 -2.910 1.00 64.20 H new ATOM 0 HB2 LYS A 10 -1.866 -18.293 -2.718 1.00 42.43 H new ATOM 0 HB3 LYS A 10 -2.482 -17.372 -1.360 1.00 42.43 H new ATOM 0 HG2 LYS A 10 -4.531 -17.356 -2.333 1.00 51.42 H new ATOM 0 HG3 LYS A 10 -3.881 -16.369 -3.627 1.00 51.42 H new ATOM 0 HD2 LYS A 10 -4.878 -18.219 -4.718 1.00 70.52 H new ATOM 0 HD3 LYS A 10 -3.158 -18.548 -4.769 1.00 70.52 H new ATOM 0 HE2 LYS A 10 -3.503 -19.918 -2.599 1.00 25.23 H new ATOM 0 HE3 LYS A 10 -5.223 -19.779 -2.903 1.00 25.23 H new ATOM 0 HZ1 LYS A 10 -4.333 -21.813 -3.816 1.00 25.13 H new ATOM 0 HZ2 LYS A 10 -4.897 -20.811 -5.065 1.00 25.13 H new ATOM 0 HZ3 LYS A 10 -3.230 -20.945 -4.771 1.00 25.13 H new ATOM 127 N VAL A 11 -0.618 -14.817 -1.112 1.00 34.41 N ATOM 128 CA VAL A 11 0.325 -14.363 -0.109 1.00 62.42 C ATOM 129 C VAL A 11 0.412 -15.458 0.947 1.00 44.12 C ATOM 130 O VAL A 11 -0.613 -16.004 1.357 1.00 33.31 O ATOM 131 CB VAL A 11 -0.172 -13.030 0.474 1.00 52.21 C ATOM 132 CG1 VAL A 11 0.707 -12.535 1.627 1.00 4.02 C ATOM 133 CG2 VAL A 11 -0.187 -11.939 -0.606 1.00 43.15 C ATOM 0 H VAL A 11 -1.465 -14.250 -1.158 1.00 34.41 H new ATOM 0 HA VAL A 11 1.318 -14.184 -0.521 1.00 62.42 H new ATOM 0 HB VAL A 11 -1.178 -13.219 0.848 1.00 52.21 H new ATOM 0 HG11 VAL A 11 0.314 -11.591 2.004 1.00 4.02 H new ATOM 0 HG12 VAL A 11 0.707 -13.274 2.428 1.00 4.02 H new ATOM 0 HG13 VAL A 11 1.726 -12.387 1.270 1.00 4.02 H new ATOM 0 HG21 VAL A 11 -0.542 -11.004 -0.173 1.00 43.15 H new ATOM 0 HG22 VAL A 11 0.821 -11.799 -0.996 1.00 43.15 H new ATOM 0 HG23 VAL A 11 -0.851 -12.239 -1.417 1.00 43.15 H new ATOM 143 N THR A 12 1.625 -15.767 1.387 1.00 2.31 N ATOM 144 CA THR A 12 1.878 -16.805 2.374 1.00 71.51 C ATOM 145 C THR A 12 2.770 -16.271 3.509 1.00 41.33 C ATOM 146 O THR A 12 2.812 -16.868 4.589 1.00 30.10 O ATOM 147 CB THR A 12 2.362 -18.059 1.616 1.00 74.42 C ATOM 148 OG1 THR A 12 2.476 -19.187 2.451 1.00 62.14 O ATOM 149 CG2 THR A 12 3.671 -17.875 0.852 1.00 61.42 C ATOM 0 H THR A 12 2.470 -15.297 1.063 1.00 2.31 H new ATOM 0 HA THR A 12 0.982 -17.114 2.913 1.00 71.51 H new ATOM 0 HB THR A 12 1.575 -18.225 0.880 1.00 74.42 H new ATOM 0 HG1 THR A 12 2.784 -19.954 1.924 1.00 62.14 H new ATOM 0 HG21 THR A 12 3.934 -18.806 0.350 1.00 61.42 H new ATOM 0 HG22 THR A 12 3.552 -17.085 0.111 1.00 61.42 H new ATOM 0 HG23 THR A 12 4.464 -17.602 1.549 1.00 61.42 H new ATOM 157 N GLY A 13 3.378 -15.088 3.348 1.00 25.42 N ATOM 158 CA GLY A 13 3.983 -14.340 4.436 1.00 53.35 C ATOM 159 C GLY A 13 3.692 -12.856 4.249 1.00 52.11 C ATOM 160 O GLY A 13 3.752 -12.354 3.125 1.00 61.51 O ATOM 0 H GLY A 13 3.460 -14.625 2.443 1.00 25.42 H new ATOM 0 HA2 GLY A 13 3.587 -14.682 5.392 1.00 53.35 H new ATOM 0 HA3 GLY A 13 5.059 -14.512 4.456 1.00 53.35 H new ATOM 164 N LEU A 14 3.423 -12.163 5.355 1.00 24.34 N ATOM 165 CA LEU A 14 3.436 -10.712 5.502 1.00 5.04 C ATOM 166 C LEU A 14 4.310 -10.444 6.711 1.00 11.03 C ATOM 167 O LEU A 14 4.102 -11.080 7.748 1.00 21.53 O ATOM 168 CB LEU A 14 2.030 -10.142 5.789 1.00 72.41 C ATOM 169 CG LEU A 14 1.154 -10.118 4.522 1.00 13.10 C ATOM 170 CD1 LEU A 14 -0.303 -10.485 4.818 1.00 45.35 C ATOM 171 CD2 LEU A 14 1.168 -8.733 3.882 1.00 2.33 C ATOM 0 H LEU A 14 3.175 -12.632 6.226 1.00 24.34 H new ATOM 0 HA LEU A 14 3.793 -10.245 4.584 1.00 5.04 H new ATOM 0 HB2 LEU A 14 1.543 -10.744 6.556 1.00 72.41 H new ATOM 0 HB3 LEU A 14 2.122 -9.131 6.187 1.00 72.41 H new ATOM 0 HG LEU A 14 1.578 -10.859 3.845 1.00 13.10 H new ATOM 0 HD11 LEU A 14 -0.881 -10.454 3.894 1.00 45.35 H new ATOM 0 HD12 LEU A 14 -0.347 -11.489 5.240 1.00 45.35 H new ATOM 0 HD13 LEU A 14 -0.720 -9.773 5.531 1.00 45.35 H new ATOM 0 HD21 LEU A 14 0.543 -8.739 2.989 1.00 2.33 H new ATOM 0 HD22 LEU A 14 0.781 -8.001 4.591 1.00 2.33 H new ATOM 0 HD23 LEU A 14 2.190 -8.469 3.608 1.00 2.33 H new ATOM 182 N LYS A 15 5.200 -9.458 6.659 1.00 30.42 N ATOM 183 CA LYS A 15 5.933 -9.023 7.843 1.00 42.01 C ATOM 184 C LYS A 15 5.965 -7.515 7.894 1.00 12.40 C ATOM 185 O LYS A 15 5.602 -6.860 6.922 1.00 43.45 O ATOM 186 CB LYS A 15 7.329 -9.667 7.883 1.00 63.51 C ATOM 187 CG LYS A 15 7.647 -10.288 9.252 1.00 53.35 C ATOM 188 CD LYS A 15 6.847 -11.569 9.568 1.00 33.13 C ATOM 189 CE LYS A 15 5.591 -11.335 10.428 1.00 72.23 C ATOM 190 NZ LYS A 15 5.901 -11.129 11.852 1.00 24.53 N ATOM 0 H LYS A 15 5.431 -8.945 5.809 1.00 30.42 H new ATOM 0 HA LYS A 15 5.422 -9.361 8.744 1.00 42.01 H new ATOM 0 HB2 LYS A 15 7.394 -10.437 7.114 1.00 63.51 H new ATOM 0 HB3 LYS A 15 8.081 -8.914 7.645 1.00 63.51 H new ATOM 0 HG2 LYS A 15 8.712 -10.518 9.295 1.00 53.35 H new ATOM 0 HG3 LYS A 15 7.449 -9.549 10.028 1.00 53.35 H new ATOM 0 HD2 LYS A 15 6.549 -12.038 8.630 1.00 33.13 H new ATOM 0 HD3 LYS A 15 7.500 -12.273 10.083 1.00 33.13 H new ATOM 0 HE2 LYS A 15 5.054 -10.465 10.049 1.00 72.23 H new ATOM 0 HE3 LYS A 15 4.923 -12.191 10.327 1.00 72.23 H new ATOM 0 HZ1 LYS A 15 5.019 -10.977 12.381 1.00 24.53 H new ATOM 0 HZ2 LYS A 15 6.388 -11.968 12.226 1.00 24.53 H new ATOM 0 HZ3 LYS A 15 6.515 -10.296 11.957 1.00 24.53 H new ATOM 200 N LEU A 16 6.364 -6.944 9.024 1.00 45.21 N ATOM 201 CA LEU A 16 6.346 -5.506 9.219 1.00 31.30 C ATOM 202 C LEU A 16 7.685 -5.038 9.773 1.00 62.41 C ATOM 203 O LEU A 16 8.414 -5.819 10.390 1.00 65.12 O ATOM 204 CB LEU A 16 5.207 -5.121 10.177 1.00 61.23 C ATOM 205 CG LEU A 16 4.306 -4.067 9.567 1.00 44.25 C ATOM 206 CD1 LEU A 16 3.316 -4.759 8.616 1.00 1.12 C ATOM 207 CD2 LEU A 16 3.629 -3.290 10.695 1.00 21.52 C ATOM 0 H LEU A 16 6.708 -7.468 9.829 1.00 45.21 H new ATOM 0 HA LEU A 16 6.176 -5.018 8.259 1.00 31.30 H new ATOM 0 HB2 LEU A 16 4.620 -6.006 10.422 1.00 61.23 H new ATOM 0 HB3 LEU A 16 5.626 -4.748 11.112 1.00 61.23 H new ATOM 0 HG LEU A 16 4.865 -3.343 8.974 1.00 44.25 H new ATOM 0 HD11 LEU A 16 2.660 -4.013 8.168 1.00 1.12 H new ATOM 0 HD12 LEU A 16 3.867 -5.276 7.830 1.00 1.12 H new ATOM 0 HD13 LEU A 16 2.718 -5.480 9.174 1.00 1.12 H new ATOM 0 HD21 LEU A 16 2.977 -2.527 10.271 1.00 21.52 H new ATOM 0 HD22 LEU A 16 3.039 -3.974 11.305 1.00 21.52 H new ATOM 0 HD23 LEU A 16 4.388 -2.814 11.316 1.00 21.52 H new ATOM 218 N LYS A 17 7.976 -3.749 9.606 1.00 71.51 N ATOM 219 CA LYS A 17 9.179 -3.101 10.120 1.00 65.21 C ATOM 220 C LYS A 17 8.806 -1.706 10.586 1.00 72.43 C ATOM 221 O LYS A 17 8.927 -0.745 9.823 1.00 30.43 O ATOM 222 CB LYS A 17 10.329 -3.083 9.093 1.00 12.11 C ATOM 223 CG LYS A 17 9.912 -2.698 7.659 1.00 1.00 C ATOM 224 CD LYS A 17 9.685 -3.924 6.770 1.00 71.35 C ATOM 225 CE LYS A 17 11.054 -4.537 6.433 1.00 74.31 C ATOM 226 NZ LYS A 17 11.500 -4.398 5.032 1.00 3.23 N ATOM 0 H LYS A 17 7.365 -3.111 9.096 1.00 71.51 H new ATOM 0 HA LYS A 17 9.563 -3.678 10.962 1.00 65.21 H new ATOM 0 HB2 LYS A 17 11.091 -2.383 9.435 1.00 12.11 H new ATOM 0 HB3 LYS A 17 10.791 -4.070 9.069 1.00 12.11 H new ATOM 0 HG2 LYS A 17 8.998 -2.105 7.696 1.00 1.00 H new ATOM 0 HG3 LYS A 17 10.683 -2.068 7.216 1.00 1.00 H new ATOM 0 HD2 LYS A 17 9.058 -4.654 7.283 1.00 71.35 H new ATOM 0 HD3 LYS A 17 9.162 -3.639 5.857 1.00 71.35 H new ATOM 0 HE2 LYS A 17 11.803 -4.079 7.079 1.00 74.31 H new ATOM 0 HE3 LYS A 17 11.025 -5.598 6.680 1.00 74.31 H new ATOM 0 HZ1 LYS A 17 12.280 -5.061 4.848 1.00 3.23 H new ATOM 0 HZ2 LYS A 17 10.708 -4.610 4.393 1.00 3.23 H new ATOM 0 HZ3 LYS A 17 11.827 -3.425 4.867 1.00 3.23 H new ATOM 236 N ARG A 18 8.371 -1.579 11.844 1.00 54.44 N ATOM 237 CA ARG A 18 7.882 -0.305 12.381 1.00 43.04 C ATOM 238 C ARG A 18 8.898 0.809 12.219 1.00 14.20 C ATOM 239 O ARG A 18 8.510 1.937 11.924 1.00 34.51 O ATOM 240 CB ARG A 18 7.340 -0.452 13.812 1.00 53.41 C ATOM 241 CG ARG A 18 8.397 -0.554 14.927 1.00 21.54 C ATOM 242 CD ARG A 18 7.680 -0.850 16.255 1.00 43.05 C ATOM 243 NE ARG A 18 8.540 -0.625 17.425 1.00 5.10 N ATOM 244 CZ ARG A 18 8.889 -1.507 18.371 1.00 62.54 C ATOM 245 NH1 ARG A 18 8.548 -2.789 18.300 1.00 5.31 N ATOM 246 NH2 ARG A 18 9.629 -1.082 19.384 1.00 34.22 N ATOM 0 H ARG A 18 8.348 -2.349 12.513 1.00 54.44 H new ATOM 0 HA ARG A 18 7.025 -0.003 11.778 1.00 43.04 H new ATOM 0 HB2 ARG A 18 6.697 0.402 14.025 1.00 53.41 H new ATOM 0 HB3 ARG A 18 6.712 -1.342 13.852 1.00 53.41 H new ATOM 0 HG2 ARG A 18 9.113 -1.344 14.699 1.00 21.54 H new ATOM 0 HG3 ARG A 18 8.961 0.376 15.000 1.00 21.54 H new ATOM 0 HD2 ARG A 18 6.794 -0.220 16.333 1.00 43.05 H new ATOM 0 HD3 ARG A 18 7.336 -1.884 16.255 1.00 43.05 H new ATOM 0 HE ARG A 18 8.917 0.317 17.530 1.00 5.10 H new ATOM 0 HH11 ARG A 18 8.004 -3.129 17.507 1.00 5.31 H new ATOM 0 HH12 ARG A 18 8.831 -3.434 19.038 1.00 5.31 H new ATOM 0 HH21 ARG A 18 9.918 -0.105 19.430 1.00 34.22 H new ATOM 0 HH22 ARG A 18 9.909 -1.732 20.119 1.00 34.22 H new ATOM 257 N LYS A 19 10.179 0.460 12.330 1.00 45.15 N ATOM 258 CA LYS A 19 11.344 1.333 12.219 1.00 32.24 C ATOM 259 C LYS A 19 11.440 2.054 10.874 1.00 30.21 C ATOM 260 O LYS A 19 12.058 3.116 10.796 1.00 32.34 O ATOM 261 CB LYS A 19 12.600 0.488 12.427 1.00 13.12 C ATOM 262 CG LYS A 19 12.530 -0.293 13.752 1.00 32.21 C ATOM 263 CD LYS A 19 13.918 -0.545 14.322 1.00 45.03 C ATOM 264 CE LYS A 19 14.385 0.746 14.994 1.00 65.33 C ATOM 265 NZ LYS A 19 15.696 0.582 15.655 1.00 33.34 N ATOM 0 H LYS A 19 10.447 -0.507 12.512 1.00 45.15 H new ATOM 0 HA LYS A 19 11.245 2.107 12.980 1.00 32.24 H new ATOM 0 HB2 LYS A 19 12.715 -0.209 11.596 1.00 13.12 H new ATOM 0 HB3 LYS A 19 13.479 1.132 12.427 1.00 13.12 H new ATOM 0 HG2 LYS A 19 11.934 0.265 14.474 1.00 32.21 H new ATOM 0 HG3 LYS A 19 12.024 -1.244 13.589 1.00 32.21 H new ATOM 0 HD2 LYS A 19 13.893 -1.364 15.041 1.00 45.03 H new ATOM 0 HD3 LYS A 19 14.609 -0.836 13.531 1.00 45.03 H new ATOM 0 HE2 LYS A 19 14.451 1.539 14.249 1.00 65.33 H new ATOM 0 HE3 LYS A 19 13.645 1.060 15.730 1.00 65.33 H new ATOM 0 HZ1 LYS A 19 15.976 1.480 16.098 1.00 33.34 H new ATOM 0 HZ2 LYS A 19 15.627 -0.157 16.384 1.00 33.34 H new ATOM 0 HZ3 LYS A 19 16.409 0.307 14.949 1.00 33.34 H new ATOM 275 N SER A 20 10.825 1.491 9.839 1.00 72.52 N ATOM 276 CA SER A 20 10.770 2.019 8.481 1.00 51.25 C ATOM 277 C SER A 20 9.331 2.112 7.962 1.00 4.42 C ATOM 278 O SER A 20 9.146 2.314 6.770 1.00 51.13 O ATOM 279 CB SER A 20 11.633 1.153 7.556 1.00 52.45 C ATOM 280 OG SER A 20 12.989 1.189 7.946 1.00 10.32 O ATOM 0 H SER A 20 10.325 0.607 9.930 1.00 72.52 H new ATOM 0 HA SER A 20 11.166 3.034 8.493 1.00 51.25 H new ATOM 0 HB2 SER A 20 11.273 0.124 7.575 1.00 52.45 H new ATOM 0 HB3 SER A 20 11.537 1.505 6.529 1.00 52.45 H new ATOM 0 HG SER A 20 13.504 1.704 7.290 1.00 10.32 H new ATOM 285 N ARG A 21 8.302 1.998 8.818 1.00 30.32 N ATOM 286 CA ARG A 21 6.886 2.092 8.442 1.00 11.31 C ATOM 287 C ARG A 21 6.569 1.319 7.158 1.00 70.53 C ATOM 288 O ARG A 21 5.896 1.822 6.259 1.00 43.24 O ATOM 289 CB ARG A 21 6.339 3.531 8.514 1.00 51.03 C ATOM 290 CG ARG A 21 6.982 4.649 7.676 1.00 54.32 C ATOM 291 CD ARG A 21 8.304 5.157 8.261 1.00 64.23 C ATOM 292 NE ARG A 21 8.648 6.531 7.882 1.00 74.54 N ATOM 293 CZ ARG A 21 9.538 6.827 6.932 1.00 74.12 C ATOM 294 NH1 ARG A 21 9.733 6.014 5.902 1.00 53.04 N ATOM 295 NH2 ARG A 21 10.276 7.927 7.025 1.00 3.03 N ATOM 0 H ARG A 21 8.438 1.834 9.815 1.00 30.32 H new ATOM 0 HA ARG A 21 6.311 1.570 9.207 1.00 11.31 H new ATOM 0 HB2 ARG A 21 5.285 3.489 8.241 1.00 51.03 H new ATOM 0 HB3 ARG A 21 6.386 3.842 9.558 1.00 51.03 H new ATOM 0 HG2 ARG A 21 7.157 4.282 6.665 1.00 54.32 H new ATOM 0 HG3 ARG A 21 6.284 5.482 7.596 1.00 54.32 H new ATOM 0 HD2 ARG A 21 8.253 5.095 9.348 1.00 64.23 H new ATOM 0 HD3 ARG A 21 9.107 4.493 7.941 1.00 64.23 H new ATOM 0 HE ARG A 21 8.184 7.299 8.368 1.00 74.54 H new ATOM 0 HH11 ARG A 21 9.199 5.148 5.828 1.00 53.04 H new ATOM 0 HH12 ARG A 21 10.417 6.255 5.185 1.00 53.04 H new ATOM 0 HH21 ARG A 21 10.164 8.550 7.825 1.00 3.03 H new ATOM 0 HH22 ARG A 21 10.955 8.149 6.297 1.00 3.03 H new ATOM 306 N GLN A 22 7.064 0.085 7.054 1.00 11.42 N ATOM 307 CA GLN A 22 7.039 -0.692 5.822 1.00 72.23 C ATOM 308 C GLN A 22 6.516 -2.091 6.109 1.00 4.13 C ATOM 309 O GLN A 22 6.475 -2.532 7.261 1.00 45.43 O ATOM 310 CB GLN A 22 8.446 -0.684 5.188 1.00 24.50 C ATOM 311 CG GLN A 22 8.544 0.322 4.034 1.00 24.11 C ATOM 312 CD GLN A 22 9.948 0.864 3.827 1.00 70.53 C ATOM 313 OE1 GLN A 22 10.135 2.061 3.954 1.00 52.34 O ATOM 314 NE2 GLN A 22 10.944 0.047 3.511 1.00 34.44 N ATOM 0 H GLN A 22 7.498 -0.406 7.835 1.00 11.42 H new ATOM 0 HA GLN A 22 6.358 -0.248 5.096 1.00 72.23 H new ATOM 0 HB2 GLN A 22 9.186 -0.438 5.949 1.00 24.50 H new ATOM 0 HB3 GLN A 22 8.685 -1.682 4.822 1.00 24.50 H new ATOM 0 HG2 GLN A 22 8.208 -0.157 3.114 1.00 24.11 H new ATOM 0 HG3 GLN A 22 7.866 1.153 4.227 1.00 24.11 H new ATOM 0 HE21 GLN A 22 10.770 -0.953 3.408 1.00 34.44 H new ATOM 0 HE22 GLN A 22 11.883 0.419 3.371 1.00 34.44 H new ATOM 321 N LEU A 23 6.062 -2.777 5.068 1.00 53.21 N ATOM 322 CA LEU A 23 5.440 -4.087 5.144 1.00 45.45 C ATOM 323 C LEU A 23 6.028 -4.963 4.051 1.00 13.40 C ATOM 324 O LEU A 23 6.054 -4.568 2.891 1.00 13.32 O ATOM 325 CB LEU A 23 3.911 -3.918 4.998 1.00 72.22 C ATOM 326 CG LEU A 23 3.102 -5.212 4.746 1.00 45.31 C ATOM 327 CD1 LEU A 23 1.772 -5.238 5.507 1.00 53.02 C ATOM 328 CD2 LEU A 23 2.715 -5.270 3.271 1.00 62.12 C ATOM 0 H LEU A 23 6.120 -2.421 4.114 1.00 53.21 H new ATOM 0 HA LEU A 23 5.633 -4.568 6.103 1.00 45.45 H new ATOM 0 HB2 LEU A 23 3.530 -3.447 5.904 1.00 72.22 H new ATOM 0 HB3 LEU A 23 3.719 -3.229 4.176 1.00 72.22 H new ATOM 0 HG LEU A 23 3.735 -6.038 5.071 1.00 45.31 H new ATOM 0 HD11 LEU A 23 1.248 -6.169 5.292 1.00 53.02 H new ATOM 0 HD12 LEU A 23 1.964 -5.169 6.578 1.00 53.02 H new ATOM 0 HD13 LEU A 23 1.157 -4.395 5.193 1.00 53.02 H new ATOM 0 HD21 LEU A 23 2.144 -6.178 3.080 1.00 62.12 H new ATOM 0 HD22 LEU A 23 2.108 -4.400 3.020 1.00 62.12 H new ATOM 0 HD23 LEU A 23 3.616 -5.273 2.658 1.00 62.12 H new ATOM 339 N GLU A 24 6.534 -6.128 4.428 1.00 54.22 N ATOM 340 CA GLU A 24 7.116 -7.136 3.544 1.00 54.03 C ATOM 341 C GLU A 24 6.028 -8.127 3.135 1.00 25.24 C ATOM 342 O GLU A 24 5.115 -8.379 3.923 1.00 22.43 O ATOM 343 CB GLU A 24 8.265 -7.869 4.255 1.00 41.44 C ATOM 344 CG GLU A 24 9.297 -6.850 4.745 1.00 25.13 C ATOM 345 CD GLU A 24 10.615 -7.433 5.260 1.00 1.03 C ATOM 346 OE1 GLU A 24 10.644 -7.873 6.432 1.00 73.33 O ATOM 347 OE2 GLU A 24 11.665 -7.151 4.627 1.00 71.43 O ATOM 0 H GLU A 24 6.552 -6.413 5.407 1.00 54.22 H new ATOM 0 HA GLU A 24 7.520 -6.651 2.655 1.00 54.03 H new ATOM 0 HB2 GLU A 24 7.878 -8.444 5.097 1.00 41.44 H new ATOM 0 HB3 GLU A 24 8.734 -8.579 3.574 1.00 41.44 H new ATOM 0 HG2 GLU A 24 9.520 -6.164 3.927 1.00 25.13 H new ATOM 0 HG3 GLU A 24 8.846 -6.259 5.543 1.00 25.13 H new ATOM 352 N ILE A 25 6.127 -8.683 1.926 1.00 73.41 N ATOM 353 CA ILE A 25 5.149 -9.601 1.331 1.00 33.10 C ATOM 354 C ILE A 25 5.925 -10.720 0.640 1.00 51.33 C ATOM 355 O ILE A 25 6.840 -10.427 -0.136 1.00 44.41 O ATOM 356 CB ILE A 25 4.252 -8.839 0.317 1.00 2.10 C ATOM 357 CG1 ILE A 25 3.338 -7.841 1.060 1.00 71.41 C ATOM 358 CG2 ILE A 25 3.361 -9.761 -0.539 1.00 23.53 C ATOM 359 CD1 ILE A 25 2.666 -6.785 0.182 1.00 73.35 C ATOM 0 H ILE A 25 6.919 -8.501 1.310 1.00 73.41 H new ATOM 0 HA ILE A 25 4.496 -10.020 2.096 1.00 33.10 H new ATOM 0 HB ILE A 25 4.940 -8.326 -0.355 1.00 2.10 H new ATOM 0 HG12 ILE A 25 2.562 -8.403 1.580 1.00 71.41 H new ATOM 0 HG13 ILE A 25 3.928 -7.333 1.822 1.00 71.41 H new ATOM 0 HG21 ILE A 25 2.764 -9.158 -1.223 1.00 23.53 H new ATOM 0 HG22 ILE A 25 3.988 -10.444 -1.111 1.00 23.53 H new ATOM 0 HG23 ILE A 25 2.700 -10.334 0.111 1.00 23.53 H new ATOM 0 HD11 ILE A 25 2.047 -6.136 0.802 1.00 73.35 H new ATOM 0 HD12 ILE A 25 3.429 -6.189 -0.319 1.00 73.35 H new ATOM 0 HD13 ILE A 25 2.042 -7.276 -0.564 1.00 73.35 H new ATOM 370 N SER A 26 5.509 -11.969 0.855 1.00 72.55 N ATOM 371 CA SER A 26 6.017 -13.150 0.170 1.00 31.32 C ATOM 372 C SER A 26 4.857 -13.966 -0.400 1.00 64.41 C ATOM 373 O SER A 26 3.810 -14.148 0.237 1.00 30.52 O ATOM 374 CB SER A 26 6.906 -13.960 1.115 1.00 15.11 C ATOM 375 OG SER A 26 7.532 -15.029 0.434 1.00 24.32 O ATOM 0 H SER A 26 4.783 -12.190 1.536 1.00 72.55 H new ATOM 0 HA SER A 26 6.638 -12.852 -0.674 1.00 31.32 H new ATOM 0 HB2 SER A 26 7.664 -13.310 1.553 1.00 15.11 H new ATOM 0 HB3 SER A 26 6.307 -14.350 1.938 1.00 15.11 H new ATOM 0 HG SER A 26 8.096 -15.530 1.060 1.00 24.32 H new ATOM 380 N PHE A 27 5.076 -14.470 -1.613 1.00 60.23 N ATOM 381 CA PHE A 27 4.142 -15.273 -2.388 1.00 41.11 C ATOM 382 C PHE A 27 4.636 -16.715 -2.423 1.00 14.03 C ATOM 383 O PHE A 27 5.841 -16.978 -2.438 1.00 0.24 O ATOM 384 CB PHE A 27 4.025 -14.726 -3.822 1.00 21.50 C ATOM 385 CG PHE A 27 3.085 -13.548 -4.017 1.00 44.01 C ATOM 386 CD1 PHE A 27 1.747 -13.647 -3.601 1.00 63.51 C ATOM 387 CD2 PHE A 27 3.502 -12.380 -4.682 1.00 32.44 C ATOM 388 CE1 PHE A 27 0.851 -12.585 -3.790 1.00 4.41 C ATOM 389 CE2 PHE A 27 2.602 -11.322 -4.887 1.00 2.10 C ATOM 390 CZ PHE A 27 1.287 -11.405 -4.413 1.00 31.35 C ATOM 0 H PHE A 27 5.957 -14.319 -2.104 1.00 60.23 H new ATOM 0 HA PHE A 27 3.158 -15.230 -1.921 1.00 41.11 H new ATOM 0 HB2 PHE A 27 5.019 -14.430 -4.158 1.00 21.50 H new ATOM 0 HB3 PHE A 27 3.697 -15.537 -4.472 1.00 21.50 H new ATOM 0 HD1 PHE A 27 1.403 -14.555 -3.128 1.00 63.51 H new ATOM 0 HD2 PHE A 27 4.519 -12.297 -5.036 1.00 32.44 H new ATOM 0 HE1 PHE A 27 -0.172 -12.675 -3.457 1.00 4.41 H new ATOM 0 HE2 PHE A 27 2.927 -10.437 -5.414 1.00 2.10 H new ATOM 0 HZ PHE A 27 0.614 -10.568 -4.526 1.00 31.35 H new ATOM 399 N ASP A 28 3.703 -17.667 -2.503 1.00 55.14 N ATOM 400 CA ASP A 28 4.040 -19.094 -2.416 1.00 63.24 C ATOM 401 C ASP A 28 4.739 -19.580 -3.700 1.00 33.22 C ATOM 402 O ASP A 28 5.458 -20.578 -3.683 1.00 24.14 O ATOM 403 CB ASP A 28 2.771 -19.885 -2.041 1.00 23.12 C ATOM 404 CG ASP A 28 3.014 -21.279 -1.441 1.00 14.10 C ATOM 405 OD1 ASP A 28 3.665 -21.346 -0.370 1.00 41.44 O ATOM 406 OD2 ASP A 28 2.434 -22.265 -1.949 1.00 51.01 O ATOM 0 H ASP A 28 2.708 -17.478 -2.628 1.00 55.14 H new ATOM 0 HA ASP A 28 4.769 -19.268 -1.625 1.00 63.24 H new ATOM 0 HB2 ASP A 28 2.195 -19.297 -1.327 1.00 23.12 H new ATOM 0 HB3 ASP A 28 2.155 -19.995 -2.934 1.00 23.12 H new ATOM 410 N ASN A 29 4.614 -18.813 -4.796 1.00 62.52 N ATOM 411 CA ASN A 29 5.300 -19.066 -6.067 1.00 51.22 C ATOM 412 C ASN A 29 6.805 -18.769 -6.018 1.00 62.32 C ATOM 413 O ASN A 29 7.569 -19.523 -6.614 1.00 75.53 O ATOM 414 CB ASN A 29 4.634 -18.327 -7.247 1.00 33.50 C ATOM 415 CG ASN A 29 5.179 -16.930 -7.536 1.00 55.45 C ATOM 416 OD1 ASN A 29 6.134 -16.751 -8.278 1.00 20.54 O ATOM 417 ND2 ASN A 29 4.595 -15.890 -6.967 1.00 53.03 N ATOM 0 H ASN A 29 4.020 -17.984 -4.820 1.00 62.52 H new ATOM 0 HA ASN A 29 5.197 -20.138 -6.237 1.00 51.22 H new ATOM 0 HB2 ASN A 29 4.746 -18.935 -8.145 1.00 33.50 H new ATOM 0 HB3 ASN A 29 3.565 -18.248 -7.047 1.00 33.50 H new ATOM 0 HD21 ASN A 29 4.942 -14.948 -7.148 1.00 53.03 H new ATOM 0 HD22 ASN A 29 3.798 -16.029 -6.346 1.00 53.03 H new ATOM 423 N GLY A 30 7.251 -17.740 -5.284 1.00 41.02 N ATOM 424 CA GLY A 30 8.646 -17.286 -5.303 1.00 3.33 C ATOM 425 C GLY A 30 8.783 -15.876 -5.874 1.00 23.22 C ATOM 426 O GLY A 30 9.443 -15.665 -6.891 1.00 34.34 O ATOM 0 H GLY A 30 6.653 -17.199 -4.660 1.00 41.02 H new ATOM 0 HA2 GLY A 30 9.048 -17.307 -4.290 1.00 3.33 H new ATOM 0 HA3 GLY A 30 9.244 -17.977 -5.897 1.00 3.33 H new ATOM 430 N GLN A 31 8.164 -14.901 -5.209 1.00 72.43 N ATOM 431 CA GLN A 31 8.363 -13.469 -5.419 1.00 72.25 C ATOM 432 C GLN A 31 8.304 -12.816 -4.045 1.00 62.22 C ATOM 433 O GLN A 31 7.642 -13.349 -3.144 1.00 54.01 O ATOM 434 CB GLN A 31 7.223 -12.879 -6.252 1.00 0.42 C ATOM 435 CG GLN A 31 7.115 -13.322 -7.712 1.00 55.35 C ATOM 436 CD GLN A 31 7.869 -12.514 -8.771 1.00 44.32 C ATOM 437 OE1 GLN A 31 8.183 -13.005 -9.849 1.00 24.40 O ATOM 438 NE2 GLN A 31 8.136 -11.240 -8.570 1.00 55.23 N ATOM 0 H GLN A 31 7.481 -15.097 -4.478 1.00 72.43 H new ATOM 0 HA GLN A 31 9.308 -13.299 -5.935 1.00 72.25 H new ATOM 0 HB2 GLN A 31 6.283 -13.122 -5.756 1.00 0.42 H new ATOM 0 HB3 GLN A 31 7.321 -11.794 -6.236 1.00 0.42 H new ATOM 0 HG2 GLN A 31 7.460 -14.354 -7.773 1.00 55.35 H new ATOM 0 HG3 GLN A 31 6.059 -13.322 -7.983 1.00 55.35 H new ATOM 0 HE21 GLN A 31 7.888 -10.801 -7.684 1.00 55.23 H new ATOM 0 HE22 GLN A 31 8.591 -10.693 -9.301 1.00 55.23 H new ATOM 445 N GLN A 32 8.892 -11.630 -3.914 1.00 22.12 N ATOM 446 CA GLN A 32 9.002 -10.895 -2.649 1.00 1.20 C ATOM 447 C GLN A 32 9.233 -9.408 -2.900 1.00 60.31 C ATOM 448 O GLN A 32 9.815 -9.045 -3.920 1.00 11.40 O ATOM 449 CB GLN A 32 10.141 -11.470 -1.788 1.00 14.12 C ATOM 450 CG GLN A 32 9.600 -12.372 -0.675 1.00 31.14 C ATOM 451 CD GLN A 32 10.696 -13.192 -0.018 1.00 54.35 C ATOM 452 OE1 GLN A 32 11.404 -12.731 0.875 1.00 40.23 O ATOM 453 NE2 GLN A 32 10.853 -14.426 -0.460 1.00 53.01 N ATOM 0 H GLN A 32 9.316 -11.138 -4.701 1.00 22.12 H new ATOM 0 HA GLN A 32 8.061 -11.010 -2.111 1.00 1.20 H new ATOM 0 HB2 GLN A 32 10.825 -12.038 -2.419 1.00 14.12 H new ATOM 0 HB3 GLN A 32 10.715 -10.654 -1.350 1.00 14.12 H new ATOM 0 HG2 GLN A 32 9.106 -11.759 0.079 1.00 31.14 H new ATOM 0 HG3 GLN A 32 8.845 -13.042 -1.087 1.00 31.14 H new ATOM 0 HE21 GLN A 32 10.251 -14.782 -1.202 1.00 53.01 H new ATOM 0 HE22 GLN A 32 11.576 -15.023 -0.059 1.00 53.01 H new ATOM 460 N PHE A 33 8.753 -8.562 -1.980 1.00 52.14 N ATOM 461 CA PHE A 33 8.841 -7.101 -2.047 1.00 63.31 C ATOM 462 C PHE A 33 8.528 -6.460 -0.690 1.00 54.32 C ATOM 463 O PHE A 33 8.048 -7.142 0.228 1.00 55.04 O ATOM 464 CB PHE A 33 7.883 -6.561 -3.121 1.00 22.50 C ATOM 465 CG PHE A 33 6.523 -7.222 -3.252 1.00 64.52 C ATOM 466 CD1 PHE A 33 6.378 -8.353 -4.076 1.00 54.25 C ATOM 467 CD2 PHE A 33 5.384 -6.639 -2.674 1.00 13.11 C ATOM 468 CE1 PHE A 33 5.112 -8.895 -4.329 1.00 0.00 C ATOM 469 CE2 PHE A 33 4.111 -7.163 -2.956 1.00 13.34 C ATOM 470 CZ PHE A 33 3.973 -8.296 -3.769 1.00 54.12 C ATOM 0 H PHE A 33 8.276 -8.889 -1.140 1.00 52.14 H new ATOM 0 HA PHE A 33 9.864 -6.838 -2.315 1.00 63.31 H new ATOM 0 HB2 PHE A 33 7.723 -5.501 -2.925 1.00 22.50 H new ATOM 0 HB3 PHE A 33 8.385 -6.634 -4.086 1.00 22.50 H new ATOM 0 HD1 PHE A 33 7.252 -8.808 -4.518 1.00 54.25 H new ATOM 0 HD2 PHE A 33 5.486 -5.790 -2.014 1.00 13.11 H new ATOM 0 HE1 PHE A 33 5.012 -9.771 -4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.233 -6.689 -2.543 1.00 13.34 H new ATOM 0 HZ PHE A 33 2.993 -8.707 -3.964 1.00 54.12 H new ATOM 479 N THR A 34 8.750 -5.143 -0.560 1.00 41.32 N ATOM 480 CA THR A 34 8.383 -4.349 0.607 1.00 63.11 C ATOM 481 C THR A 34 7.674 -3.071 0.135 1.00 2.10 C ATOM 482 O THR A 34 8.227 -2.331 -0.672 1.00 61.21 O ATOM 483 CB THR A 34 9.607 -4.022 1.473 1.00 71.15 C ATOM 484 OG1 THR A 34 10.393 -5.164 1.746 1.00 32.44 O ATOM 485 CG2 THR A 34 9.160 -3.447 2.811 1.00 10.31 C ATOM 0 H THR A 34 9.203 -4.592 -1.289 1.00 41.32 H new ATOM 0 HA THR A 34 7.705 -4.927 1.234 1.00 63.11 H new ATOM 0 HB THR A 34 10.203 -3.305 0.908 1.00 71.15 H new ATOM 0 HG1 THR A 34 11.161 -4.908 2.298 1.00 32.44 H new ATOM 0 HG21 THR A 34 10.035 -3.218 3.419 1.00 10.31 H new ATOM 0 HG22 THR A 34 8.587 -2.535 2.642 1.00 10.31 H new ATOM 0 HG23 THR A 34 8.538 -4.176 3.331 1.00 10.31 H new ATOM 493 N LEU A 35 6.488 -2.776 0.666 1.00 3.43 N ATOM 494 CA LEU A 35 5.697 -1.575 0.399 1.00 54.34 C ATOM 495 C LEU A 35 5.664 -0.711 1.650 1.00 51.22 C ATOM 496 O LEU A 35 5.912 -1.201 2.756 1.00 71.45 O ATOM 497 CB LEU A 35 4.264 -1.970 0.000 1.00 24.21 C ATOM 498 CG LEU A 35 4.186 -2.433 -1.461 1.00 74.55 C ATOM 499 CD1 LEU A 35 2.925 -3.272 -1.676 1.00 3.23 C ATOM 500 CD2 LEU A 35 4.137 -1.255 -2.430 1.00 34.44 C ATOM 0 H LEU A 35 6.029 -3.401 1.329 1.00 3.43 H new ATOM 0 HA LEU A 35 6.149 -1.016 -0.420 1.00 54.34 H new ATOM 0 HB2 LEU A 35 3.912 -2.768 0.653 1.00 24.21 H new ATOM 0 HB3 LEU A 35 3.598 -1.120 0.148 1.00 24.21 H new ATOM 0 HG LEU A 35 5.084 -3.018 -1.658 1.00 74.55 H new ATOM 0 HD11 LEU A 35 2.877 -3.597 -2.715 1.00 3.23 H new ATOM 0 HD12 LEU A 35 2.953 -4.145 -1.024 1.00 3.23 H new ATOM 0 HD13 LEU A 35 2.045 -2.673 -1.442 1.00 3.23 H new ATOM 0 HD21 LEU A 35 4.082 -1.627 -3.453 1.00 34.44 H new ATOM 0 HD22 LEU A 35 3.258 -0.646 -2.218 1.00 34.44 H new ATOM 0 HD23 LEU A 35 5.035 -0.649 -2.312 1.00 34.44 H new ATOM 511 N SER A 36 5.331 0.565 1.490 1.00 44.31 N ATOM 512 CA SER A 36 5.350 1.538 2.573 1.00 42.22 C ATOM 513 C SER A 36 3.942 1.825 3.088 1.00 42.32 C ATOM 514 O SER A 36 2.976 1.822 2.328 1.00 3.20 O ATOM 515 CB SER A 36 6.076 2.801 2.097 1.00 24.31 C ATOM 516 OG SER A 36 5.484 3.369 0.953 1.00 3.40 O ATOM 0 H SER A 36 5.037 0.956 0.595 1.00 44.31 H new ATOM 0 HA SER A 36 5.897 1.130 3.423 1.00 42.22 H new ATOM 0 HB2 SER A 36 6.082 3.537 2.901 1.00 24.31 H new ATOM 0 HB3 SER A 36 7.116 2.557 1.880 1.00 24.31 H new ATOM 0 HG SER A 36 5.982 4.171 0.691 1.00 3.40 H new ATOM 521 N CYS A 37 3.803 2.117 4.387 1.00 31.14 N ATOM 522 CA CYS A 37 2.517 2.537 4.943 1.00 51.43 C ATOM 523 C CYS A 37 1.968 3.789 4.268 1.00 11.10 C ATOM 524 O CYS A 37 0.752 3.947 4.248 1.00 41.01 O ATOM 525 CB CYS A 37 2.603 2.854 6.436 1.00 24.13 C ATOM 526 SG CYS A 37 2.866 1.373 7.427 1.00 41.25 S ATOM 0 H CYS A 37 4.562 2.070 5.067 1.00 31.14 H new ATOM 0 HA CYS A 37 1.857 1.687 4.767 1.00 51.43 H new ATOM 0 HB2 CYS A 37 3.418 3.557 6.611 1.00 24.13 H new ATOM 0 HB3 CYS A 37 1.684 3.346 6.756 1.00 24.13 H new ATOM 0 HG CYS A 37 2.003 1.343 8.399 1.00 41.25 H new ATOM 531 N GLU A 38 2.836 4.674 3.767 1.00 72.41 N ATOM 532 CA GLU A 38 2.402 5.843 3.017 1.00 43.02 C ATOM 533 C GLU A 38 1.678 5.349 1.763 1.00 62.42 C ATOM 534 O GLU A 38 0.477 5.594 1.640 1.00 10.12 O ATOM 535 CB GLU A 38 3.599 6.781 2.763 1.00 43.43 C ATOM 536 CG GLU A 38 3.194 8.166 2.217 1.00 34.22 C ATOM 537 CD GLU A 38 2.760 8.184 0.750 1.00 51.34 C ATOM 538 OE1 GLU A 38 3.067 7.211 0.037 1.00 73.52 O ATOM 539 OE2 GLU A 38 2.148 9.198 0.349 1.00 4.32 O ATOM 0 H GLU A 38 3.848 4.596 3.872 1.00 72.41 H new ATOM 0 HA GLU A 38 1.691 6.455 3.572 1.00 43.02 H new ATOM 0 HB2 GLU A 38 4.150 6.914 3.694 1.00 43.43 H new ATOM 0 HB3 GLU A 38 4.279 6.306 2.056 1.00 43.43 H new ATOM 0 HG2 GLU A 38 2.378 8.555 2.826 1.00 34.22 H new ATOM 0 HG3 GLU A 38 4.036 8.848 2.339 1.00 34.22 H new ATOM 544 N LEU A 39 2.360 4.566 0.908 1.00 14.14 N ATOM 545 CA LEU A 39 1.834 4.154 -0.394 1.00 11.33 C ATOM 546 C LEU A 39 0.503 3.425 -0.198 1.00 42.31 C ATOM 547 O LEU A 39 -0.447 3.612 -0.958 1.00 70.12 O ATOM 548 CB LEU A 39 2.851 3.290 -1.163 1.00 22.20 C ATOM 549 CG LEU A 39 2.608 3.287 -2.690 1.00 21.23 C ATOM 550 CD1 LEU A 39 3.239 4.524 -3.347 1.00 75.21 C ATOM 551 CD2 LEU A 39 3.169 2.017 -3.337 1.00 62.34 C ATOM 0 H LEU A 39 3.293 4.204 1.106 1.00 14.14 H new ATOM 0 HA LEU A 39 1.658 5.041 -1.002 1.00 11.33 H new ATOM 0 HB2 LEU A 39 3.857 3.657 -0.961 1.00 22.20 H new ATOM 0 HB3 LEU A 39 2.805 2.266 -0.791 1.00 22.20 H new ATOM 0 HG LEU A 39 1.530 3.312 -2.849 1.00 21.23 H new ATOM 0 HD11 LEU A 39 3.055 4.499 -4.421 1.00 75.21 H new ATOM 0 HD12 LEU A 39 2.797 5.426 -2.924 1.00 75.21 H new ATOM 0 HD13 LEU A 39 4.313 4.525 -3.163 1.00 75.21 H new ATOM 0 HD21 LEU A 39 2.983 2.043 -4.411 1.00 62.34 H new ATOM 0 HD22 LEU A 39 4.242 1.960 -3.156 1.00 62.34 H new ATOM 0 HD23 LEU A 39 2.681 1.143 -2.906 1.00 62.34 H new ATOM 562 N LEU A 40 0.406 2.623 0.865 1.00 25.43 N ATOM 563 CA LEU A 40 -0.779 1.845 1.212 1.00 63.24 C ATOM 564 C LEU A 40 -1.966 2.738 1.598 1.00 65.22 C ATOM 565 O LEU A 40 -3.112 2.361 1.347 1.00 21.22 O ATOM 566 CB LEU A 40 -0.419 0.851 2.338 1.00 65.44 C ATOM 567 CG LEU A 40 0.602 -0.226 1.894 1.00 23.54 C ATOM 568 CD1 LEU A 40 1.222 -0.975 3.092 1.00 10.41 C ATOM 569 CD2 LEU A 40 -0.037 -1.240 0.947 1.00 74.52 C ATOM 0 H LEU A 40 1.173 2.495 1.525 1.00 25.43 H new ATOM 0 HA LEU A 40 -1.101 1.287 0.333 1.00 63.24 H new ATOM 0 HB2 LEU A 40 -0.011 1.403 3.185 1.00 65.44 H new ATOM 0 HB3 LEU A 40 -1.328 0.360 2.686 1.00 65.44 H new ATOM 0 HG LEU A 40 1.397 0.308 1.373 1.00 23.54 H new ATOM 0 HD11 LEU A 40 1.931 -1.719 2.729 1.00 10.41 H new ATOM 0 HD12 LEU A 40 1.740 -0.265 3.737 1.00 10.41 H new ATOM 0 HD13 LEU A 40 0.434 -1.471 3.658 1.00 10.41 H new ATOM 0 HD21 LEU A 40 0.705 -1.982 0.654 1.00 74.52 H new ATOM 0 HD22 LEU A 40 -0.867 -1.736 1.451 1.00 74.52 H new ATOM 0 HD23 LEU A 40 -0.407 -0.726 0.059 1.00 74.52 H new ATOM 580 N ARG A 41 -1.730 3.908 2.201 1.00 70.25 N ATOM 581 CA ARG A 41 -2.803 4.827 2.612 1.00 72.42 C ATOM 582 C ARG A 41 -3.171 5.844 1.531 1.00 11.41 C ATOM 583 O ARG A 41 -4.234 6.456 1.637 1.00 4.44 O ATOM 584 CB ARG A 41 -2.448 5.541 3.931 1.00 5.30 C ATOM 585 CG ARG A 41 -3.510 5.356 5.032 1.00 73.53 C ATOM 586 CD ARG A 41 -4.826 6.116 4.789 1.00 41.12 C ATOM 587 NE ARG A 41 -5.923 5.602 5.630 1.00 53.24 N ATOM 588 CZ ARG A 41 -6.741 4.589 5.316 1.00 52.04 C ATOM 589 NH1 ARG A 41 -6.794 4.053 4.098 1.00 41.30 N ATOM 590 NH2 ARG A 41 -7.528 4.089 6.255 1.00 51.25 N ATOM 0 H ARG A 41 -0.793 4.246 2.419 1.00 70.25 H new ATOM 0 HA ARG A 41 -3.686 4.208 2.772 1.00 72.42 H new ATOM 0 HB2 ARG A 41 -1.491 5.165 4.293 1.00 5.30 H new ATOM 0 HB3 ARG A 41 -2.319 6.606 3.736 1.00 5.30 H new ATOM 0 HG2 ARG A 41 -3.732 4.293 5.129 1.00 73.53 H new ATOM 0 HG3 ARG A 41 -3.088 5.681 5.983 1.00 73.53 H new ATOM 0 HD2 ARG A 41 -4.676 7.176 4.996 1.00 41.12 H new ATOM 0 HD3 ARG A 41 -5.105 6.032 3.739 1.00 41.12 H new ATOM 0 HE ARG A 41 -6.072 6.058 6.530 1.00 53.24 H new ATOM 0 HH11 ARG A 41 -6.194 4.413 3.356 1.00 41.30 H new ATOM 0 HH12 ARG A 41 -7.434 3.282 3.908 1.00 41.30 H new ATOM 0 HH21 ARG A 41 -7.505 4.475 7.199 1.00 51.25 H new ATOM 0 HH22 ARG A 41 -8.158 3.317 6.035 1.00 51.25 H new ATOM 601 N VAL A 42 -2.334 6.065 0.524 1.00 23.14 N ATOM 602 CA VAL A 42 -2.681 6.890 -0.627 1.00 33.33 C ATOM 603 C VAL A 42 -3.373 5.976 -1.643 1.00 42.12 C ATOM 604 O VAL A 42 -4.583 6.124 -1.848 1.00 4.41 O ATOM 605 CB VAL A 42 -1.470 7.727 -1.087 1.00 41.43 C ATOM 606 CG1 VAL A 42 -0.933 8.522 0.118 1.00 11.41 C ATOM 607 CG2 VAL A 42 -0.315 6.972 -1.748 1.00 34.53 C ATOM 0 H VAL A 42 -1.392 5.676 0.483 1.00 23.14 H new ATOM 0 HA VAL A 42 -3.405 7.675 -0.409 1.00 33.33 H new ATOM 0 HB VAL A 42 -1.860 8.364 -1.881 1.00 41.43 H new ATOM 0 HG11 VAL A 42 -0.076 9.119 -0.193 1.00 11.41 H new ATOM 0 HG12 VAL A 42 -1.715 9.180 0.497 1.00 11.41 H new ATOM 0 HG13 VAL A 42 -0.628 7.830 0.903 1.00 11.41 H new ATOM 0 HG21 VAL A 42 0.470 7.676 -2.023 1.00 34.53 H new ATOM 0 HG22 VAL A 42 0.086 6.237 -1.050 1.00 34.53 H new ATOM 0 HG23 VAL A 42 -0.677 6.464 -2.642 1.00 34.53 H new ATOM 617 N TYR A 43 -2.677 4.939 -2.138 1.00 1.31 N ATOM 618 CA TYR A 43 -3.174 3.906 -3.039 1.00 33.43 C ATOM 619 C TYR A 43 -4.006 2.868 -2.269 1.00 21.45 C ATOM 620 O TYR A 43 -3.947 1.662 -2.533 1.00 30.34 O ATOM 621 CB TYR A 43 -2.016 3.232 -3.807 1.00 52.12 C ATOM 622 CG TYR A 43 -2.260 3.029 -5.291 1.00 14.03 C ATOM 623 CD1 TYR A 43 -3.351 2.262 -5.745 1.00 52.33 C ATOM 624 CD2 TYR A 43 -1.331 3.531 -6.222 1.00 20.31 C ATOM 625 CE1 TYR A 43 -3.438 1.907 -7.102 1.00 4.21 C ATOM 626 CE2 TYR A 43 -1.437 3.209 -7.585 1.00 3.14 C ATOM 627 CZ TYR A 43 -2.459 2.345 -8.019 1.00 53.24 C ATOM 628 OH TYR A 43 -2.503 1.925 -9.312 1.00 33.43 O ATOM 0 H TYR A 43 -1.695 4.798 -1.901 1.00 1.31 H new ATOM 0 HA TYR A 43 -3.823 4.383 -3.774 1.00 33.43 H new ATOM 0 HB2 TYR A 43 -1.117 3.836 -3.682 1.00 52.12 H new ATOM 0 HB3 TYR A 43 -1.814 2.262 -3.352 1.00 52.12 H new ATOM 0 HD1 TYR A 43 -4.118 1.948 -5.053 1.00 52.33 H new ATOM 0 HD2 TYR A 43 -0.529 4.170 -5.885 1.00 20.31 H new ATOM 0 HE1 TYR A 43 -4.259 1.295 -7.445 1.00 4.21 H new ATOM 0 HE2 TYR A 43 -0.737 3.623 -8.296 1.00 3.14 H new ATOM 0 HH TYR A 43 -1.757 2.320 -9.810 1.00 33.43 H new ATOM 637 N SER A 44 -4.810 3.306 -1.300 1.00 42.31 N ATOM 638 CA SER A 44 -5.911 2.462 -0.899 1.00 44.42 C ATOM 639 C SER A 44 -6.804 2.267 -2.152 1.00 52.31 C ATOM 640 O SER A 44 -6.952 3.198 -2.948 1.00 41.01 O ATOM 641 CB SER A 44 -6.632 3.118 0.277 1.00 22.33 C ATOM 642 OG SER A 44 -5.854 2.947 1.442 1.00 62.44 O ATOM 0 H SER A 44 -4.721 4.194 -0.806 1.00 42.31 H new ATOM 0 HA SER A 44 -5.595 1.479 -0.550 1.00 44.42 H new ATOM 0 HB2 SER A 44 -6.788 4.179 0.080 1.00 22.33 H new ATOM 0 HB3 SER A 44 -7.617 2.671 0.412 1.00 22.33 H new ATOM 0 HG SER A 44 -4.928 2.748 1.191 1.00 62.44 H new ATOM 647 N PRO A 45 -7.402 1.082 -2.352 1.00 32.51 N ATOM 648 CA PRO A 45 -8.037 0.708 -3.612 1.00 25.34 C ATOM 649 C PRO A 45 -9.480 1.176 -3.757 1.00 5.01 C ATOM 650 O PRO A 45 -10.071 1.015 -4.825 1.00 54.11 O ATOM 651 CB PRO A 45 -8.011 -0.809 -3.634 1.00 24.24 C ATOM 652 CG PRO A 45 -7.985 -1.217 -2.162 1.00 1.34 C ATOM 653 CD PRO A 45 -7.322 -0.044 -1.451 1.00 43.01 C ATOM 0 HA PRO A 45 -7.499 1.183 -4.432 1.00 25.34 H new ATOM 0 HB2 PRO A 45 -8.887 -1.213 -4.142 1.00 24.24 H new ATOM 0 HB3 PRO A 45 -7.135 -1.183 -4.164 1.00 24.24 H new ATOM 0 HG2 PRO A 45 -8.991 -1.394 -1.782 1.00 1.34 H new ATOM 0 HG3 PRO A 45 -7.422 -2.139 -2.016 1.00 1.34 H new ATOM 0 HD2 PRO A 45 -7.828 0.175 -0.511 1.00 43.01 H new ATOM 0 HD3 PRO A 45 -6.284 -0.274 -1.209 1.00 43.01 H new ATOM 658 N SER A 46 -10.079 1.711 -2.699 1.00 73.51 N ATOM 659 CA SER A 46 -11.447 2.187 -2.709 1.00 61.14 C ATOM 660 C SER A 46 -11.402 3.685 -2.987 1.00 44.14 C ATOM 661 O SER A 46 -11.669 4.522 -2.121 1.00 50.02 O ATOM 662 CB SER A 46 -12.111 1.747 -1.398 1.00 14.13 C ATOM 663 OG SER A 46 -13.351 1.134 -1.670 1.00 31.34 O ATOM 0 H SER A 46 -9.615 1.826 -1.798 1.00 73.51 H new ATOM 0 HA SER A 46 -12.073 1.762 -3.494 1.00 61.14 H new ATOM 0 HB2 SER A 46 -11.461 1.052 -0.866 1.00 14.13 H new ATOM 0 HB3 SER A 46 -12.257 2.609 -0.747 1.00 14.13 H new ATOM 0 HG SER A 46 -13.769 0.854 -0.829 1.00 31.34 H new ATOM 668 N ALA A 47 -10.980 3.993 -4.212 1.00 45.02 N ATOM 669 CA ALA A 47 -10.720 5.328 -4.727 1.00 44.02 C ATOM 670 C ALA A 47 -10.568 5.257 -6.257 1.00 21.44 C ATOM 671 O ALA A 47 -11.567 5.438 -6.948 1.00 4.34 O ATOM 672 CB ALA A 47 -9.489 5.921 -4.026 1.00 62.32 C ATOM 0 H ALA A 47 -10.801 3.271 -4.910 1.00 45.02 H new ATOM 0 HA ALA A 47 -11.554 5.996 -4.515 1.00 44.02 H new ATOM 0 HB1 ALA A 47 -9.296 6.921 -4.414 1.00 62.32 H new ATOM 0 HB2 ALA A 47 -9.673 5.977 -2.953 1.00 62.32 H new ATOM 0 HB3 ALA A 47 -8.623 5.286 -4.213 1.00 62.32 H new ATOM 678 N GLU A 48 -9.376 4.939 -6.791 1.00 31.14 N ATOM 679 CA GLU A 48 -9.111 4.775 -8.228 1.00 62.53 C ATOM 680 C GLU A 48 -9.741 3.473 -8.747 1.00 30.31 C ATOM 681 O GLU A 48 -9.038 2.510 -9.074 1.00 43.41 O ATOM 682 CB GLU A 48 -7.598 4.779 -8.546 1.00 42.32 C ATOM 683 CG GLU A 48 -6.962 6.167 -8.611 1.00 52.00 C ATOM 684 CD GLU A 48 -5.640 6.108 -9.386 1.00 2.13 C ATOM 685 OE1 GLU A 48 -4.697 5.420 -8.928 1.00 44.42 O ATOM 686 OE2 GLU A 48 -5.552 6.668 -10.506 1.00 21.15 O ATOM 0 H GLU A 48 -8.547 4.785 -6.217 1.00 31.14 H new ATOM 0 HA GLU A 48 -9.563 5.629 -8.733 1.00 62.53 H new ATOM 0 HB2 GLU A 48 -7.080 4.192 -7.788 1.00 42.32 H new ATOM 0 HB3 GLU A 48 -7.440 4.277 -9.501 1.00 42.32 H new ATOM 0 HG2 GLU A 48 -7.645 6.866 -9.095 1.00 52.00 H new ATOM 0 HG3 GLU A 48 -6.785 6.541 -7.603 1.00 52.00 H new ATOM 691 N VAL A 49 -11.066 3.393 -8.790 1.00 43.22 N ATOM 692 CA VAL A 49 -11.781 2.208 -9.267 1.00 24.24 C ATOM 693 C VAL A 49 -12.187 2.357 -10.743 1.00 24.13 C ATOM 694 O VAL A 49 -12.583 1.369 -11.358 1.00 21.44 O ATOM 695 CB VAL A 49 -12.975 1.882 -8.347 1.00 72.54 C ATOM 696 CG1 VAL A 49 -13.361 0.411 -8.521 1.00 24.15 C ATOM 697 CG2 VAL A 49 -12.670 2.081 -6.855 1.00 32.11 C ATOM 0 H VAL A 49 -11.681 4.151 -8.494 1.00 43.22 H new ATOM 0 HA VAL A 49 -11.105 1.354 -9.221 1.00 24.24 H new ATOM 0 HB VAL A 49 -13.772 2.567 -8.636 1.00 72.54 H new ATOM 0 HG11 VAL A 49 -14.205 0.177 -7.872 1.00 24.15 H new ATOM 0 HG12 VAL A 49 -13.640 0.228 -9.559 1.00 24.15 H new ATOM 0 HG13 VAL A 49 -12.514 -0.221 -8.256 1.00 24.15 H new ATOM 0 HG21 VAL A 49 -13.554 1.834 -6.267 1.00 32.11 H new ATOM 0 HG22 VAL A 49 -11.846 1.431 -6.562 1.00 32.11 H new ATOM 0 HG23 VAL A 49 -12.394 3.120 -6.675 1.00 32.11 H new ATOM 707 N HIS A 50 -12.059 3.558 -11.311 1.00 5.45 N ATOM 708 CA HIS A 50 -12.273 3.913 -12.711 1.00 70.20 C ATOM 709 C HIS A 50 -13.563 3.286 -13.256 1.00 65.31 C ATOM 710 O HIS A 50 -13.555 2.533 -14.231 1.00 42.01 O ATOM 711 CB HIS A 50 -11.013 3.593 -13.533 1.00 74.32 C ATOM 712 CG HIS A 50 -10.929 4.412 -14.795 1.00 34.31 C ATOM 713 ND1 HIS A 50 -11.358 4.040 -16.050 1.00 64.21 N ATOM 714 CD2 HIS A 50 -10.505 5.709 -14.868 1.00 62.42 C ATOM 715 CE1 HIS A 50 -11.191 5.094 -16.864 1.00 22.31 C ATOM 716 NE2 HIS A 50 -10.641 6.125 -16.197 1.00 74.30 N ATOM 0 H HIS A 50 -11.781 4.369 -10.759 1.00 5.45 H new ATOM 0 HA HIS A 50 -12.429 4.988 -12.798 1.00 70.20 H new ATOM 0 HB2 HIS A 50 -10.128 3.777 -12.924 1.00 74.32 H new ATOM 0 HB3 HIS A 50 -11.009 2.534 -13.789 1.00 74.32 H new ATOM 0 HD2 HIS A 50 -10.132 6.305 -14.048 1.00 62.42 H new ATOM 0 HE1 HIS A 50 -11.461 5.112 -17.910 1.00 22.31 H new ATOM 0 HE2 HIS A 50 -10.376 7.031 -16.584 1.00 74.30 H new ATOM 723 N GLY A 51 -14.685 3.572 -12.587 1.00 12.45 N ATOM 724 CA GLY A 51 -15.995 3.061 -12.984 1.00 13.14 C ATOM 725 C GLY A 51 -16.907 2.686 -11.822 1.00 13.31 C ATOM 726 O GLY A 51 -18.091 2.457 -12.059 1.00 43.50 O ATOM 0 H GLY A 51 -14.707 4.164 -11.757 1.00 12.45 H new ATOM 0 HA2 GLY A 51 -16.495 3.814 -13.593 1.00 13.14 H new ATOM 0 HA3 GLY A 51 -15.853 2.184 -13.615 1.00 13.14 H new ATOM 730 N HIS A 52 -16.391 2.627 -10.592 1.00 53.21 N ATOM 731 CA HIS A 52 -17.160 2.506 -9.345 1.00 70.11 C ATOM 732 C HIS A 52 -16.775 3.611 -8.352 1.00 10.43 C ATOM 733 O HIS A 52 -17.379 3.725 -7.288 1.00 32.42 O ATOM 734 CB HIS A 52 -16.923 1.120 -8.701 1.00 52.10 C ATOM 735 CG HIS A 52 -17.962 0.056 -8.948 1.00 72.31 C ATOM 736 ND1 HIS A 52 -18.139 -1.072 -8.175 1.00 23.35 N ATOM 737 CD2 HIS A 52 -18.865 -0.005 -9.975 1.00 63.21 C ATOM 738 CE1 HIS A 52 -19.126 -1.793 -8.723 1.00 64.41 C ATOM 739 NE2 HIS A 52 -19.602 -1.183 -9.821 1.00 61.40 N ATOM 0 H HIS A 52 -15.385 2.664 -10.428 1.00 53.21 H new ATOM 0 HA HIS A 52 -18.217 2.613 -9.590 1.00 70.11 H new ATOM 0 HB2 HIS A 52 -15.964 0.743 -9.055 1.00 52.10 H new ATOM 0 HB3 HIS A 52 -16.833 1.260 -7.624 1.00 52.10 H new ATOM 0 HD2 HIS A 52 -18.986 0.725 -10.762 1.00 63.21 H new ATOM 0 HE1 HIS A 52 -19.489 -2.734 -8.336 1.00 64.41 H new ATOM 0 HE2 HIS A 52 -20.354 -1.515 -10.425 1.00 61.40 H new ATOM 746 N GLY A 53 -15.747 4.401 -8.646 1.00 63.41 N ATOM 747 CA GLY A 53 -15.177 5.417 -7.788 1.00 70.11 C ATOM 748 C GLY A 53 -14.182 6.199 -8.635 1.00 63.32 C ATOM 749 O GLY A 53 -13.796 5.720 -9.709 1.00 71.24 O ATOM 0 H GLY A 53 -15.266 4.340 -9.544 1.00 63.41 H new ATOM 0 HA2 GLY A 53 -15.954 6.075 -7.398 1.00 70.11 H new ATOM 0 HA3 GLY A 53 -14.682 4.964 -6.929 1.00 70.11 H new ATOM 753 N ASN A 54 -13.781 7.370 -8.145 1.00 14.12 N ATOM 754 CA ASN A 54 -12.917 8.322 -8.834 1.00 64.33 C ATOM 755 C ASN A 54 -11.636 8.542 -8.039 1.00 22.12 C ATOM 756 O ASN A 54 -11.645 8.352 -6.815 1.00 10.12 O ATOM 757 CB ASN A 54 -13.682 9.640 -9.085 1.00 13.15 C ATOM 758 CG ASN A 54 -14.157 10.479 -7.895 1.00 31.35 C ATOM 759 OD1 ASN A 54 -15.062 11.289 -8.054 1.00 42.51 O ATOM 760 ND2 ASN A 54 -13.558 10.400 -6.719 1.00 71.52 N ATOM 0 H ASN A 54 -14.061 7.693 -7.219 1.00 14.12 H new ATOM 0 HA ASN A 54 -12.629 7.919 -9.805 1.00 64.33 H new ATOM 0 HB2 ASN A 54 -13.043 10.276 -9.698 1.00 13.15 H new ATOM 0 HB3 ASN A 54 -14.560 9.398 -9.684 1.00 13.15 H new ATOM 0 HD21 ASN A 54 -13.851 11.010 -5.956 1.00 71.52 H new ATOM 0 HD22 ASN A 54 -12.803 9.729 -6.575 1.00 71.52 H new ATOM 766 N PRO A 55 -10.562 9.025 -8.682 1.00 22.23 N ATOM 767 CA PRO A 55 -9.321 9.314 -7.992 1.00 31.11 C ATOM 768 C PRO A 55 -9.561 10.409 -6.953 1.00 24.22 C ATOM 769 O PRO A 55 -10.484 11.216 -7.073 1.00 14.15 O ATOM 770 CB PRO A 55 -8.335 9.752 -9.083 1.00 1.23 C ATOM 771 CG PRO A 55 -9.221 10.240 -10.223 1.00 45.33 C ATOM 772 CD PRO A 55 -10.472 9.392 -10.086 1.00 30.34 C ATOM 0 HA PRO A 55 -8.924 8.456 -7.449 1.00 31.11 H new ATOM 0 HB2 PRO A 55 -7.674 10.543 -8.727 1.00 1.23 H new ATOM 0 HB3 PRO A 55 -7.700 8.925 -9.400 1.00 1.23 H new ATOM 0 HG2 PRO A 55 -9.444 11.303 -10.131 1.00 45.33 H new ATOM 0 HG3 PRO A 55 -8.743 10.097 -11.192 1.00 45.33 H new ATOM 0 HD2 PRO A 55 -11.355 9.948 -10.400 1.00 30.34 H new ATOM 0 HD3 PRO A 55 -10.412 8.505 -10.717 1.00 30.34 H new ATOM 777 N VAL A 56 -8.692 10.460 -5.954 1.00 64.20 N ATOM 778 CA VAL A 56 -8.640 11.523 -4.966 1.00 45.13 C ATOM 779 C VAL A 56 -7.165 11.874 -4.857 1.00 41.21 C ATOM 780 O VAL A 56 -6.315 10.978 -4.891 1.00 33.34 O ATOM 781 CB VAL A 56 -9.224 11.040 -3.624 1.00 5.11 C ATOM 782 CG1 VAL A 56 -9.216 12.139 -2.551 1.00 62.42 C ATOM 783 CG2 VAL A 56 -10.664 10.517 -3.777 1.00 5.01 C ATOM 0 H VAL A 56 -7.984 9.741 -5.806 1.00 64.20 H new ATOM 0 HA VAL A 56 -9.234 12.393 -5.246 1.00 45.13 H new ATOM 0 HB VAL A 56 -8.573 10.226 -3.303 1.00 5.11 H new ATOM 0 HG11 VAL A 56 -9.638 11.747 -1.625 1.00 62.42 H new ATOM 0 HG12 VAL A 56 -8.192 12.466 -2.373 1.00 62.42 H new ATOM 0 HG13 VAL A 56 -9.813 12.985 -2.892 1.00 62.42 H new ATOM 0 HG21 VAL A 56 -11.036 10.187 -2.807 1.00 5.01 H new ATOM 0 HG22 VAL A 56 -11.302 11.314 -4.158 1.00 5.01 H new ATOM 0 HG23 VAL A 56 -10.675 9.679 -4.474 1.00 5.01 H new ATOM 793 N LEU A 57 -6.867 13.162 -4.730 1.00 34.12 N ATOM 794 CA LEU A 57 -5.519 13.658 -4.521 1.00 13.23 C ATOM 795 C LEU A 57 -5.190 13.423 -3.049 1.00 32.34 C ATOM 796 O LEU A 57 -5.899 13.919 -2.165 1.00 34.34 O ATOM 797 CB LEU A 57 -5.472 15.146 -4.909 1.00 1.42 C ATOM 798 CG LEU A 57 -4.139 15.679 -5.447 1.00 45.31 C ATOM 799 CD1 LEU A 57 -2.974 15.533 -4.476 1.00 21.32 C ATOM 800 CD2 LEU A 57 -3.759 15.064 -6.796 1.00 14.21 C ATOM 0 H LEU A 57 -7.570 13.900 -4.771 1.00 34.12 H new ATOM 0 HA LEU A 57 -4.779 13.147 -5.137 1.00 13.23 H new ATOM 0 HB2 LEU A 57 -6.238 15.325 -5.663 1.00 1.42 H new ATOM 0 HB3 LEU A 57 -5.744 15.734 -4.033 1.00 1.42 H new ATOM 0 HG LEU A 57 -4.320 16.745 -5.582 1.00 45.31 H new ATOM 0 HD11 LEU A 57 -2.068 15.933 -4.932 1.00 21.32 H new ATOM 0 HD12 LEU A 57 -3.193 16.082 -3.560 1.00 21.32 H new ATOM 0 HD13 LEU A 57 -2.826 14.479 -4.241 1.00 21.32 H new ATOM 0 HD21 LEU A 57 -2.807 15.477 -7.129 1.00 14.21 H new ATOM 0 HD22 LEU A 57 -3.668 13.983 -6.690 1.00 14.21 H new ATOM 0 HD23 LEU A 57 -4.531 15.293 -7.531 1.00 14.21 H new ATOM 811 N VAL A 58 -4.165 12.627 -2.769 1.00 50.10 N ATOM 812 CA VAL A 58 -3.719 12.304 -1.425 1.00 44.32 C ATOM 813 C VAL A 58 -2.297 12.853 -1.245 1.00 63.25 C ATOM 814 O VAL A 58 -1.659 13.280 -2.214 1.00 61.44 O ATOM 815 CB VAL A 58 -3.855 10.783 -1.186 1.00 45.20 C ATOM 816 CG1 VAL A 58 -3.956 10.473 0.305 1.00 13.33 C ATOM 817 CG2 VAL A 58 -5.101 10.167 -1.832 1.00 30.13 C ATOM 0 H VAL A 58 -3.607 12.177 -3.494 1.00 50.10 H new ATOM 0 HA VAL A 58 -4.339 12.775 -0.663 1.00 44.32 H new ATOM 0 HB VAL A 58 -2.961 10.355 -1.639 1.00 45.20 H new ATOM 0 HG11 VAL A 58 -4.051 9.396 0.447 1.00 13.33 H new ATOM 0 HG12 VAL A 58 -3.059 10.828 0.812 1.00 13.33 H new ATOM 0 HG13 VAL A 58 -4.830 10.973 0.722 1.00 13.33 H new ATOM 0 HG21 VAL A 58 -5.129 9.098 -1.622 1.00 30.13 H new ATOM 0 HG22 VAL A 58 -5.994 10.640 -1.424 1.00 30.13 H new ATOM 0 HG23 VAL A 58 -5.067 10.324 -2.910 1.00 30.13 H new ATOM 827 N THR A 59 -1.826 12.887 0.000 1.00 43.43 N ATOM 828 CA THR A 59 -0.579 13.537 0.399 1.00 65.32 C ATOM 829 C THR A 59 0.347 12.543 1.082 1.00 25.41 C ATOM 830 O THR A 59 -0.132 11.516 1.578 1.00 1.42 O ATOM 831 CB THR A 59 -0.878 14.730 1.327 1.00 31.20 C ATOM 832 OG1 THR A 59 -1.262 14.341 2.638 1.00 31.52 O ATOM 833 CG2 THR A 59 -1.989 15.645 0.799 1.00 3.22 C ATOM 0 H THR A 59 -2.315 12.451 0.781 1.00 43.43 H new ATOM 0 HA THR A 59 -0.076 13.909 -0.494 1.00 65.32 H new ATOM 0 HB THR A 59 0.071 15.265 1.355 1.00 31.20 H new ATOM 0 HG1 THR A 59 -1.436 15.140 3.178 1.00 31.52 H new ATOM 0 HG21 THR A 59 -2.149 16.464 1.500 1.00 3.22 H new ATOM 0 HG22 THR A 59 -1.698 16.049 -0.171 1.00 3.22 H new ATOM 0 HG23 THR A 59 -2.911 15.073 0.692 1.00 3.22 H new ATOM 841 N HIS A 60 1.626 12.925 1.233 1.00 32.52 N ATOM 842 CA HIS A 60 2.570 12.129 2.005 1.00 70.45 C ATOM 843 C HIS A 60 2.051 11.983 3.437 1.00 5.13 C ATOM 844 O HIS A 60 1.240 12.790 3.916 1.00 54.24 O ATOM 845 CB HIS A 60 3.989 12.716 2.036 1.00 43.42 C ATOM 846 CG HIS A 60 4.716 12.996 0.747 1.00 53.13 C ATOM 847 ND1 HIS A 60 6.041 13.353 0.689 1.00 10.03 N ATOM 848 CD2 HIS A 60 4.235 13.015 -0.532 1.00 21.13 C ATOM 849 CE1 HIS A 60 6.374 13.558 -0.587 1.00 73.43 C ATOM 850 NE2 HIS A 60 5.299 13.382 -1.361 1.00 75.45 N ATOM 0 H HIS A 60 2.020 13.776 0.830 1.00 32.52 H new ATOM 0 HA HIS A 60 2.644 11.161 1.510 1.00 70.45 H new ATOM 0 HB2 HIS A 60 3.940 13.653 2.591 1.00 43.42 H new ATOM 0 HB3 HIS A 60 4.610 12.034 2.617 1.00 43.42 H new ATOM 0 HD1 HIS A 60 6.667 13.446 1.489 1.00 10.03 H new ATOM 0 HD2 HIS A 60 3.226 12.790 -0.843 1.00 21.13 H new ATOM 0 HE1 HIS A 60 7.359 13.825 -0.939 1.00 73.43 H new ATOM 857 N LYS A 61 2.574 10.991 4.154 1.00 71.44 N ATOM 858 CA LYS A 61 2.200 10.681 5.518 1.00 30.32 C ATOM 859 C LYS A 61 3.488 10.465 6.291 1.00 1.10 C ATOM 860 O LYS A 61 4.235 9.542 5.972 1.00 53.41 O ATOM 861 CB LYS A 61 1.383 9.375 5.552 1.00 22.33 C ATOM 862 CG LYS A 61 0.093 9.289 4.719 1.00 5.40 C ATOM 863 CD LYS A 61 -1.160 9.514 5.564 1.00 50.02 C ATOM 864 CE LYS A 61 -1.288 10.963 6.031 1.00 14.40 C ATOM 865 NZ LYS A 61 -2.445 11.114 6.930 1.00 23.33 N ATOM 0 H LYS A 61 3.291 10.366 3.784 1.00 71.44 H new ATOM 0 HA LYS A 61 1.601 11.486 5.944 1.00 30.32 H new ATOM 0 HB2 LYS A 61 2.039 8.566 5.230 1.00 22.33 H new ATOM 0 HB3 LYS A 61 1.119 9.177 6.591 1.00 22.33 H new ATOM 0 HG2 LYS A 61 0.128 10.031 3.921 1.00 5.40 H new ATOM 0 HG3 LYS A 61 0.036 8.311 4.242 1.00 5.40 H new ATOM 0 HD2 LYS A 61 -2.041 9.242 4.983 1.00 50.02 H new ATOM 0 HD3 LYS A 61 -1.134 8.855 6.432 1.00 50.02 H new ATOM 0 HE2 LYS A 61 -0.377 11.267 6.547 1.00 14.40 H new ATOM 0 HE3 LYS A 61 -1.401 11.621 5.169 1.00 14.40 H new ATOM 0 HZ1 LYS A 61 -2.450 12.073 7.332 1.00 23.33 H new ATOM 0 HZ2 LYS A 61 -3.323 10.958 6.395 1.00 23.33 H new ATOM 0 HZ3 LYS A 61 -2.380 10.417 7.699 1.00 23.33 H new ATOM 875 N LYS A 62 3.703 11.308 7.298 1.00 44.44 N ATOM 876 CA LYS A 62 4.894 11.387 8.136 1.00 23.21 C ATOM 877 C LYS A 62 5.377 10.004 8.591 1.00 21.34 C ATOM 878 O LYS A 62 6.431 9.540 8.162 1.00 52.02 O ATOM 879 CB LYS A 62 4.684 12.385 9.302 1.00 61.14 C ATOM 880 CG LYS A 62 3.263 12.440 9.897 1.00 34.11 C ATOM 881 CD LYS A 62 2.319 13.469 9.237 1.00 64.32 C ATOM 882 CE LYS A 62 0.895 12.899 9.234 1.00 12.41 C ATOM 883 NZ LYS A 62 -0.172 13.895 9.004 1.00 13.24 N ATOM 0 H LYS A 62 3.003 11.999 7.567 1.00 44.44 H new ATOM 0 HA LYS A 62 5.708 11.785 7.530 1.00 23.21 H new ATOM 0 HB2 LYS A 62 5.381 12.132 10.101 1.00 61.14 H new ATOM 0 HB3 LYS A 62 4.949 13.383 8.952 1.00 61.14 H new ATOM 0 HG2 LYS A 62 2.812 11.451 9.815 1.00 34.11 H new ATOM 0 HG3 LYS A 62 3.339 12.668 10.960 1.00 34.11 H new ATOM 0 HD2 LYS A 62 2.347 14.412 9.783 1.00 64.32 H new ATOM 0 HD3 LYS A 62 2.644 13.680 8.218 1.00 64.32 H new ATOM 0 HE2 LYS A 62 0.828 12.131 8.463 1.00 12.41 H new ATOM 0 HE3 LYS A 62 0.714 12.408 10.190 1.00 12.41 H new ATOM 0 HZ1 LYS A 62 -1.098 13.422 9.019 1.00 13.24 H new ATOM 0 HZ2 LYS A 62 -0.140 14.617 9.752 1.00 13.24 H new ATOM 0 HZ3 LYS A 62 -0.030 14.349 8.079 1.00 13.24 H new ATOM 893 N ASN A 63 4.651 9.362 9.505 1.00 42.15 N ATOM 894 CA ASN A 63 5.017 8.070 10.075 1.00 62.55 C ATOM 895 C ASN A 63 3.738 7.355 10.486 1.00 54.02 C ATOM 896 O ASN A 63 3.301 7.436 11.635 1.00 50.12 O ATOM 897 CB ASN A 63 5.954 8.253 11.280 1.00 63.34 C ATOM 898 CG ASN A 63 7.394 8.426 10.868 1.00 32.14 C ATOM 899 OD1 ASN A 63 8.053 7.463 10.494 1.00 50.25 O ATOM 900 ND2 ASN A 63 7.924 9.629 10.940 1.00 25.43 N ATOM 0 H ASN A 63 3.776 9.734 9.876 1.00 42.15 H new ATOM 0 HA ASN A 63 5.554 7.474 9.336 1.00 62.55 H new ATOM 0 HB2 ASN A 63 5.636 9.123 11.855 1.00 63.34 H new ATOM 0 HB3 ASN A 63 5.869 7.388 11.938 1.00 63.34 H new ATOM 0 HD21 ASN A 63 8.900 9.772 10.682 1.00 25.43 H new ATOM 0 HD22 ASN A 63 7.358 10.418 11.254 1.00 25.43 H new ATOM 906 N VAL A 64 3.083 6.686 9.548 1.00 73.22 N ATOM 907 CA VAL A 64 2.012 5.737 9.859 1.00 64.22 C ATOM 908 C VAL A 64 2.668 4.445 10.375 1.00 10.00 C ATOM 909 O VAL A 64 3.860 4.210 10.162 1.00 41.31 O ATOM 910 CB VAL A 64 1.173 5.524 8.580 1.00 3.41 C ATOM 911 CG1 VAL A 64 0.035 4.506 8.725 1.00 43.02 C ATOM 912 CG2 VAL A 64 0.530 6.834 8.113 1.00 1.32 C ATOM 0 H VAL A 64 3.275 6.782 8.551 1.00 73.22 H new ATOM 0 HA VAL A 64 1.337 6.099 10.634 1.00 64.22 H new ATOM 0 HB VAL A 64 1.895 5.140 7.859 1.00 3.41 H new ATOM 0 HG11 VAL A 64 -0.500 4.421 7.779 1.00 43.02 H new ATOM 0 HG12 VAL A 64 0.448 3.535 8.997 1.00 43.02 H new ATOM 0 HG13 VAL A 64 -0.653 4.838 9.502 1.00 43.02 H new ATOM 0 HG21 VAL A 64 -0.054 6.651 7.211 1.00 1.32 H new ATOM 0 HG22 VAL A 64 -0.123 7.218 8.896 1.00 1.32 H new ATOM 0 HG23 VAL A 64 1.309 7.566 7.899 1.00 1.32 H new ATOM 922 N ASN A 65 1.902 3.566 11.017 1.00 70.22 N ATOM 923 CA ASN A 65 2.221 2.150 11.136 1.00 72.35 C ATOM 924 C ASN A 65 0.962 1.323 10.927 1.00 72.42 C ATOM 925 O ASN A 65 -0.152 1.843 11.033 1.00 10.02 O ATOM 926 CB ASN A 65 2.902 1.838 12.477 1.00 4.43 C ATOM 927 CG ASN A 65 4.308 1.331 12.207 1.00 61.42 C ATOM 928 OD1 ASN A 65 4.553 0.129 12.144 1.00 5.40 O ATOM 929 ND2 ASN A 65 5.245 2.237 11.968 1.00 54.21 N ATOM 0 H ASN A 65 1.028 3.824 11.476 1.00 70.22 H new ATOM 0 HA ASN A 65 2.938 1.882 10.360 1.00 72.35 H new ATOM 0 HB2 ASN A 65 2.937 2.732 13.100 1.00 4.43 H new ATOM 0 HB3 ASN A 65 2.330 1.090 13.025 1.00 4.43 H new ATOM 0 HD21 ASN A 65 6.191 1.941 11.726 1.00 54.21 H new ATOM 0 HD22 ASN A 65 5.020 3.230 12.026 1.00 54.21 H new ATOM 935 N ILE A 66 1.137 0.034 10.623 1.00 51.45 N ATOM 936 CA ILE A 66 0.018 -0.890 10.516 1.00 70.21 C ATOM 937 C ILE A 66 -0.325 -1.356 11.913 1.00 45.15 C ATOM 938 O ILE A 66 0.525 -1.912 12.614 1.00 72.43 O ATOM 939 CB ILE A 66 0.275 -2.021 9.494 1.00 21.13 C ATOM 940 CG1 ILE A 66 0.101 -1.333 8.122 1.00 44.22 C ATOM 941 CG2 ILE A 66 -0.689 -3.209 9.663 1.00 53.22 C ATOM 942 CD1 ILE A 66 0.448 -2.244 6.964 1.00 10.13 C ATOM 0 H ILE A 66 2.048 -0.389 10.447 1.00 51.45 H new ATOM 0 HA ILE A 66 -0.857 -0.390 10.101 1.00 70.21 H new ATOM 0 HB ILE A 66 1.263 -2.463 9.622 1.00 21.13 H new ATOM 0 HG12 ILE A 66 -0.930 -0.996 8.017 1.00 44.22 H new ATOM 0 HG13 ILE A 66 0.732 -0.445 8.083 1.00 44.22 H new ATOM 0 HG21 ILE A 66 -0.461 -3.972 8.918 1.00 53.22 H new ATOM 0 HG22 ILE A 66 -0.575 -3.631 10.661 1.00 53.22 H new ATOM 0 HG23 ILE A 66 -1.715 -2.867 9.529 1.00 53.22 H new ATOM 0 HD11 ILE A 66 0.307 -1.709 6.025 1.00 10.13 H new ATOM 0 HD12 ILE A 66 1.487 -2.561 7.049 1.00 10.13 H new ATOM 0 HD13 ILE A 66 -0.201 -3.120 6.983 1.00 10.13 H new ATOM 953 N ASN A 67 -1.572 -1.129 12.316 1.00 52.25 N ATOM 954 CA ASN A 67 -2.018 -1.435 13.651 1.00 53.31 C ATOM 955 C ASN A 67 -2.142 -2.943 13.831 1.00 70.41 C ATOM 956 O ASN A 67 -2.017 -3.394 14.969 1.00 4.12 O ATOM 957 CB ASN A 67 -3.358 -0.728 13.944 1.00 10.20 C ATOM 958 CG ASN A 67 -3.320 0.085 15.228 1.00 3.11 C ATOM 959 OD1 ASN A 67 -2.601 -0.226 16.173 1.00 4.40 O ATOM 960 ND2 ASN A 67 -4.058 1.176 15.267 1.00 61.44 N ATOM 0 H ASN A 67 -2.294 -0.727 11.718 1.00 52.25 H new ATOM 0 HA ASN A 67 -1.280 -1.067 14.364 1.00 53.31 H new ATOM 0 HB2 ASN A 67 -3.609 -0.072 13.110 1.00 10.20 H new ATOM 0 HB3 ASN A 67 -4.151 -1.473 14.013 1.00 10.20 H new ATOM 0 HD21 ASN A 67 -4.037 1.777 16.091 1.00 61.44 H new ATOM 0 HD22 ASN A 67 -4.650 1.420 14.473 1.00 61.44 H new ATOM 966 N ALA A 68 -2.386 -3.706 12.749 1.00 64.53 N ATOM 967 CA ALA A 68 -2.681 -5.137 12.766 1.00 74.31 C ATOM 968 C ALA A 68 -3.030 -5.620 11.349 1.00 72.54 C ATOM 969 O ALA A 68 -3.187 -4.808 10.434 1.00 65.54 O ATOM 970 CB ALA A 68 -3.859 -5.409 13.713 1.00 31.50 C ATOM 0 H ALA A 68 -2.381 -3.320 11.805 1.00 64.53 H new ATOM 0 HA ALA A 68 -1.802 -5.678 13.117 1.00 74.31 H new ATOM 0 HB1 ALA A 68 -4.078 -6.477 13.724 1.00 31.50 H new ATOM 0 HB2 ALA A 68 -3.600 -5.081 14.720 1.00 31.50 H new ATOM 0 HB3 ALA A 68 -4.737 -4.863 13.368 1.00 31.50 H new ATOM 976 N ILE A 69 -3.201 -6.932 11.157 1.00 53.43 N ATOM 977 CA ILE A 69 -3.612 -7.536 9.889 1.00 13.23 C ATOM 978 C ILE A 69 -4.640 -8.620 10.193 1.00 51.43 C ATOM 979 O ILE A 69 -4.415 -9.459 11.070 1.00 71.32 O ATOM 980 CB ILE A 69 -2.387 -8.129 9.150 1.00 52.11 C ATOM 981 CG1 ILE A 69 -1.333 -7.032 8.852 1.00 22.33 C ATOM 982 CG2 ILE A 69 -2.795 -8.843 7.846 1.00 44.22 C ATOM 983 CD1 ILE A 69 -0.076 -7.527 8.131 1.00 1.11 C ATOM 0 H ILE A 69 -3.054 -7.618 11.897 1.00 53.43 H new ATOM 0 HA ILE A 69 -4.052 -6.782 9.237 1.00 13.23 H new ATOM 0 HB ILE A 69 -1.943 -8.871 9.813 1.00 52.11 H new ATOM 0 HG12 ILE A 69 -1.800 -6.255 8.247 1.00 22.33 H new ATOM 0 HG13 ILE A 69 -1.036 -6.568 9.793 1.00 22.33 H new ATOM 0 HG21 ILE A 69 -1.907 -9.245 7.358 1.00 44.22 H new ATOM 0 HG22 ILE A 69 -3.482 -9.657 8.077 1.00 44.22 H new ATOM 0 HG23 ILE A 69 -3.285 -8.133 7.180 1.00 44.22 H new ATOM 0 HD11 ILE A 69 0.602 -6.690 7.966 1.00 1.11 H new ATOM 0 HD12 ILE A 69 0.420 -8.281 8.742 1.00 1.11 H new ATOM 0 HD13 ILE A 69 -0.355 -7.963 7.172 1.00 1.11 H new ATOM 994 N THR A 70 -5.703 -8.657 9.393 1.00 50.14 N ATOM 995 CA THR A 70 -6.723 -9.694 9.426 1.00 44.12 C ATOM 996 C THR A 70 -6.940 -10.152 7.983 1.00 12.04 C ATOM 997 O THR A 70 -7.247 -9.317 7.138 1.00 12.43 O ATOM 998 CB THR A 70 -8.010 -9.115 10.052 1.00 5.33 C ATOM 999 OG1 THR A 70 -7.795 -8.797 11.411 1.00 54.45 O ATOM 1000 CG2 THR A 70 -9.216 -10.050 9.953 1.00 54.35 C ATOM 0 H THR A 70 -5.881 -7.945 8.685 1.00 50.14 H new ATOM 0 HA THR A 70 -6.426 -10.549 10.034 1.00 44.12 H new ATOM 0 HB THR A 70 -8.242 -8.221 9.474 1.00 5.33 H new ATOM 0 HG1 THR A 70 -8.618 -8.429 11.795 1.00 54.45 H new ATOM 0 HG21 THR A 70 -10.083 -9.576 10.414 1.00 54.35 H new ATOM 0 HG22 THR A 70 -9.430 -10.258 8.905 1.00 54.35 H new ATOM 0 HG23 THR A 70 -8.996 -10.984 10.470 1.00 54.35 H new ATOM 1008 N PRO A 71 -6.767 -11.436 7.657 1.00 65.52 N ATOM 1009 CA PRO A 71 -7.151 -11.987 6.365 1.00 14.42 C ATOM 1010 C PRO A 71 -8.669 -11.916 6.233 1.00 43.33 C ATOM 1011 O PRO A 71 -9.421 -12.206 7.166 1.00 5.22 O ATOM 1012 CB PRO A 71 -6.615 -13.415 6.364 1.00 45.42 C ATOM 1013 CG PRO A 71 -6.633 -13.791 7.844 1.00 23.22 C ATOM 1014 CD PRO A 71 -6.390 -12.489 8.578 1.00 54.02 C ATOM 0 HA PRO A 71 -6.746 -11.442 5.512 1.00 14.42 H new ATOM 0 HB2 PRO A 71 -7.242 -14.081 5.771 1.00 45.42 H new ATOM 0 HB3 PRO A 71 -5.610 -13.468 5.946 1.00 45.42 H new ATOM 0 HG2 PRO A 71 -7.588 -14.233 8.128 1.00 23.22 H new ATOM 0 HG3 PRO A 71 -5.861 -14.525 8.075 1.00 23.22 H new ATOM 0 HD2 PRO A 71 -6.983 -12.439 9.491 1.00 54.02 H new ATOM 0 HD3 PRO A 71 -5.344 -12.395 8.871 1.00 54.02 H new ATOM 1019 N VAL A 72 -9.107 -11.495 5.055 1.00 63.31 N ATOM 1020 CA VAL A 72 -10.501 -11.325 4.723 1.00 33.33 C ATOM 1021 C VAL A 72 -10.814 -12.496 3.801 1.00 34.35 C ATOM 1022 O VAL A 72 -10.266 -12.605 2.699 1.00 5.22 O ATOM 1023 CB VAL A 72 -10.761 -9.907 4.186 1.00 51.54 C ATOM 1024 CG1 VAL A 72 -12.237 -9.718 3.808 1.00 65.44 C ATOM 1025 CG2 VAL A 72 -10.390 -8.868 5.264 1.00 25.14 C ATOM 0 H VAL A 72 -8.479 -11.258 4.287 1.00 63.31 H new ATOM 0 HA VAL A 72 -11.190 -11.366 5.567 1.00 33.33 H new ATOM 0 HB VAL A 72 -10.148 -9.768 3.295 1.00 51.54 H new ATOM 0 HG11 VAL A 72 -12.390 -8.706 3.432 1.00 65.44 H new ATOM 0 HG12 VAL A 72 -12.510 -10.437 3.036 1.00 65.44 H new ATOM 0 HG13 VAL A 72 -12.861 -9.876 4.688 1.00 65.44 H new ATOM 0 HG21 VAL A 72 -10.575 -7.864 4.881 1.00 25.14 H new ATOM 0 HG22 VAL A 72 -10.997 -9.034 6.154 1.00 25.14 H new ATOM 0 HG23 VAL A 72 -9.335 -8.970 5.520 1.00 25.14 H new ATOM 1035 N GLY A 73 -11.602 -13.438 4.319 1.00 63.32 N ATOM 1036 CA GLY A 73 -11.786 -14.743 3.711 1.00 73.23 C ATOM 1037 C GLY A 73 -10.433 -15.441 3.574 1.00 2.32 C ATOM 1038 O GLY A 73 -9.720 -15.667 4.552 1.00 52.21 O ATOM 0 H GLY A 73 -12.133 -13.309 5.181 1.00 63.32 H new ATOM 0 HA2 GLY A 73 -12.458 -15.347 4.320 1.00 73.23 H new ATOM 0 HA3 GLY A 73 -12.252 -14.636 2.732 1.00 73.23 H new ATOM 1042 N ASN A 74 -10.087 -15.768 2.333 1.00 45.41 N ATOM 1043 CA ASN A 74 -8.904 -16.498 1.872 1.00 52.22 C ATOM 1044 C ASN A 74 -8.150 -15.720 0.783 1.00 23.42 C ATOM 1045 O ASN A 74 -7.227 -16.251 0.157 1.00 52.31 O ATOM 1046 CB ASN A 74 -9.367 -17.842 1.277 1.00 31.34 C ATOM 1047 CG ASN A 74 -10.316 -17.610 0.098 1.00 71.24 C ATOM 1048 OD1 ASN A 74 -11.436 -17.145 0.297 1.00 14.15 O ATOM 1049 ND2 ASN A 74 -9.905 -17.867 -1.127 1.00 44.13 N ATOM 0 H ASN A 74 -10.683 -15.505 1.548 1.00 45.41 H new ATOM 0 HA ASN A 74 -8.234 -16.642 2.719 1.00 52.22 H new ATOM 0 HB2 ASN A 74 -8.502 -18.417 0.947 1.00 31.34 H new ATOM 0 HB3 ASN A 74 -9.868 -18.432 2.044 1.00 31.34 H new ATOM 0 HD21 ASN A 74 -10.518 -17.680 -1.920 1.00 44.13 H new ATOM 0 HD22 ASN A 74 -8.974 -18.253 -1.282 1.00 44.13 H new ATOM 1055 N TYR A 75 -8.594 -14.498 0.483 1.00 2.45 N ATOM 1056 CA TYR A 75 -8.412 -13.870 -0.822 1.00 63.21 C ATOM 1057 C TYR A 75 -7.958 -12.409 -0.735 1.00 54.43 C ATOM 1058 O TYR A 75 -7.768 -11.770 -1.777 1.00 62.12 O ATOM 1059 CB TYR A 75 -9.663 -14.096 -1.695 1.00 21.14 C ATOM 1060 CG TYR A 75 -10.950 -13.331 -1.402 1.00 32.22 C ATOM 1061 CD1 TYR A 75 -11.500 -13.299 -0.110 1.00 21.03 C ATOM 1062 CD2 TYR A 75 -11.653 -12.707 -2.453 1.00 5.33 C ATOM 1063 CE1 TYR A 75 -12.682 -12.595 0.158 1.00 51.33 C ATOM 1064 CE2 TYR A 75 -12.857 -12.020 -2.207 1.00 25.22 C ATOM 1065 CZ TYR A 75 -13.370 -11.946 -0.892 1.00 34.25 C ATOM 1066 OH TYR A 75 -14.526 -11.274 -0.635 1.00 45.43 O ATOM 0 H TYR A 75 -9.096 -13.911 1.150 1.00 2.45 H new ATOM 0 HA TYR A 75 -7.578 -14.361 -1.324 1.00 63.21 H new ATOM 0 HB2 TYR A 75 -9.383 -13.875 -2.725 1.00 21.14 H new ATOM 0 HB3 TYR A 75 -9.901 -15.159 -1.650 1.00 21.14 H new ATOM 0 HD1 TYR A 75 -11.003 -13.826 0.691 1.00 21.03 H new ATOM 0 HD2 TYR A 75 -11.263 -12.757 -3.459 1.00 5.33 H new ATOM 0 HE1 TYR A 75 -13.067 -12.549 1.166 1.00 51.33 H new ATOM 0 HE2 TYR A 75 -13.388 -11.550 -3.022 1.00 25.22 H new ATOM 0 HH TYR A 75 -14.870 -10.885 -1.466 1.00 45.43 H new ATOM 1075 N ALA A 76 -7.772 -11.891 0.486 1.00 71.40 N ATOM 1076 CA ALA A 76 -7.381 -10.528 0.791 1.00 43.22 C ATOM 1077 C ALA A 76 -6.910 -10.423 2.241 1.00 2.14 C ATOM 1078 O ALA A 76 -7.088 -11.363 3.022 1.00 51.04 O ATOM 1079 CB ALA A 76 -8.616 -9.648 0.585 1.00 65.11 C ATOM 0 H ALA A 76 -7.900 -12.452 1.328 1.00 71.40 H new ATOM 0 HA ALA A 76 -6.561 -10.212 0.146 1.00 43.22 H new ATOM 0 HB1 ALA A 76 -8.364 -8.610 0.805 1.00 65.11 H new ATOM 0 HB2 ALA A 76 -8.952 -9.729 -0.449 1.00 65.11 H new ATOM 0 HB3 ALA A 76 -9.413 -9.977 1.252 1.00 65.11 H new ATOM 1085 N VAL A 77 -6.390 -9.255 2.621 1.00 72.23 N ATOM 1086 CA VAL A 77 -6.174 -8.849 4.008 1.00 74.10 C ATOM 1087 C VAL A 77 -6.687 -7.428 4.228 1.00 1.02 C ATOM 1088 O VAL A 77 -6.736 -6.603 3.315 1.00 45.03 O ATOM 1089 CB VAL A 77 -4.694 -8.957 4.438 1.00 22.13 C ATOM 1090 CG1 VAL A 77 -4.297 -10.398 4.780 1.00 74.22 C ATOM 1091 CG2 VAL A 77 -3.725 -8.358 3.411 1.00 5.20 C ATOM 0 H VAL A 77 -6.099 -8.544 1.950 1.00 72.23 H new ATOM 0 HA VAL A 77 -6.737 -9.541 4.634 1.00 74.10 H new ATOM 0 HB VAL A 77 -4.610 -8.358 5.344 1.00 22.13 H new ATOM 0 HG11 VAL A 77 -3.249 -10.426 5.077 1.00 74.22 H new ATOM 0 HG12 VAL A 77 -4.916 -10.761 5.600 1.00 74.22 H new ATOM 0 HG13 VAL A 77 -4.444 -11.033 3.906 1.00 74.22 H new ATOM 0 HG21 VAL A 77 -2.702 -8.465 3.771 1.00 5.20 H new ATOM 0 HG22 VAL A 77 -3.832 -8.882 2.461 1.00 5.20 H new ATOM 0 HG23 VAL A 77 -3.952 -7.301 3.270 1.00 5.20 H new ATOM 1101 N LYS A 78 -7.051 -7.163 5.478 1.00 63.23 N ATOM 1102 CA LYS A 78 -7.346 -5.885 6.079 1.00 43.33 C ATOM 1103 C LYS A 78 -6.031 -5.399 6.665 1.00 32.42 C ATOM 1104 O LYS A 78 -5.513 -6.073 7.556 1.00 2.31 O ATOM 1105 CB LYS A 78 -8.385 -6.107 7.195 1.00 32.21 C ATOM 1106 CG LYS A 78 -9.165 -4.834 7.545 1.00 54.20 C ATOM 1107 CD LYS A 78 -10.154 -5.068 8.689 1.00 71.04 C ATOM 1108 CE LYS A 78 -11.385 -5.884 8.261 1.00 23.34 C ATOM 1109 NZ LYS A 78 -12.539 -5.032 7.897 1.00 1.45 N ATOM 0 H LYS A 78 -7.154 -7.919 6.155 1.00 63.23 H new ATOM 0 HA LYS A 78 -7.750 -5.161 5.372 1.00 43.33 H new ATOM 0 HB2 LYS A 78 -9.085 -6.882 6.884 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -7.879 -6.474 8.088 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -8.466 -4.045 7.824 1.00 54.20 H new ATOM 0 HG3 LYS A 78 -9.704 -4.485 6.664 1.00 54.20 H new ATOM 0 HD2 LYS A 78 -9.645 -5.587 9.501 1.00 71.04 H new ATOM 0 HD3 LYS A 78 -10.482 -4.105 9.082 1.00 71.04 H new ATOM 0 HE2 LYS A 78 -11.121 -6.513 7.411 1.00 23.34 H new ATOM 0 HE3 LYS A 78 -11.674 -6.551 9.073 1.00 23.34 H new ATOM 0 HZ1 LYS A 78 -13.340 -5.633 7.617 1.00 1.45 H new ATOM 0 HZ2 LYS A 78 -12.812 -4.450 8.714 1.00 1.45 H new ATOM 0 HZ3 LYS A 78 -12.277 -4.413 7.103 1.00 1.45 H new ATOM 1119 N LEU A 79 -5.478 -4.289 6.180 1.00 53.05 N ATOM 1120 CA LEU A 79 -4.332 -3.636 6.817 1.00 54.14 C ATOM 1121 C LEU A 79 -4.911 -2.384 7.417 1.00 42.22 C ATOM 1122 O LEU A 79 -5.433 -1.535 6.696 1.00 74.32 O ATOM 1123 CB LEU A 79 -3.185 -3.284 5.857 1.00 50.14 C ATOM 1124 CG LEU A 79 -2.219 -4.430 5.516 1.00 41.33 C ATOM 1125 CD1 LEU A 79 -2.916 -5.754 5.292 1.00 14.03 C ATOM 1126 CD2 LEU A 79 -1.396 -4.010 4.297 1.00 50.44 C ATOM 0 H LEU A 79 -5.809 -3.817 5.338 1.00 53.05 H new ATOM 0 HA LEU A 79 -3.872 -4.309 7.540 1.00 54.14 H new ATOM 0 HB2 LEU A 79 -3.616 -2.910 4.928 1.00 50.14 H new ATOM 0 HB3 LEU A 79 -2.610 -2.467 6.293 1.00 50.14 H new ATOM 0 HG LEU A 79 -1.567 -4.602 6.372 1.00 41.33 H new ATOM 0 HD11 LEU A 79 -2.177 -6.519 5.055 1.00 14.03 H new ATOM 0 HD12 LEU A 79 -3.456 -6.038 6.195 1.00 14.03 H new ATOM 0 HD13 LEU A 79 -3.618 -5.660 4.464 1.00 14.03 H new ATOM 0 HD21 LEU A 79 -0.701 -4.808 4.034 1.00 50.44 H new ATOM 0 HD22 LEU A 79 -2.063 -3.818 3.456 1.00 50.44 H new ATOM 0 HD23 LEU A 79 -0.836 -3.104 4.530 1.00 50.44 H new ATOM 1137 N VAL A 80 -4.884 -2.353 8.737 1.00 23.20 N ATOM 1138 CA VAL A 80 -5.439 -1.285 9.545 1.00 51.05 C ATOM 1139 C VAL A 80 -4.301 -0.342 9.951 1.00 25.51 C ATOM 1140 O VAL A 80 -3.145 -0.772 9.942 1.00 22.54 O ATOM 1141 CB VAL A 80 -6.180 -1.931 10.730 1.00 62.23 C ATOM 1142 CG1 VAL A 80 -7.165 -3.017 10.273 1.00 45.14 C ATOM 1143 CG2 VAL A 80 -5.292 -2.602 11.772 1.00 44.42 C ATOM 0 H VAL A 80 -4.461 -3.096 9.293 1.00 23.20 H new ATOM 0 HA VAL A 80 -6.165 -0.675 9.007 1.00 51.05 H new ATOM 0 HB VAL A 80 -6.678 -1.073 11.182 1.00 62.23 H new ATOM 0 HG11 VAL A 80 -7.664 -3.444 11.142 1.00 45.14 H new ATOM 0 HG12 VAL A 80 -7.908 -2.578 9.607 1.00 45.14 H new ATOM 0 HG13 VAL A 80 -6.623 -3.801 9.744 1.00 45.14 H new ATOM 0 HG21 VAL A 80 -5.913 -3.024 12.562 1.00 44.42 H new ATOM 0 HG22 VAL A 80 -4.715 -3.397 11.300 1.00 44.42 H new ATOM 0 HG23 VAL A 80 -4.612 -1.865 12.200 1.00 44.42 H new ATOM 1153 N PHE A 81 -4.579 0.903 10.344 1.00 52.35 N ATOM 1154 CA PHE A 81 -3.532 1.905 10.543 1.00 42.24 C ATOM 1155 C PHE A 81 -3.591 2.516 11.942 1.00 1.23 C ATOM 1156 O PHE A 81 -4.651 2.557 12.570 1.00 10.00 O ATOM 1157 CB PHE A 81 -3.645 2.968 9.445 1.00 41.41 C ATOM 1158 CG PHE A 81 -3.444 2.421 8.041 1.00 73.35 C ATOM 1159 CD1 PHE A 81 -2.155 2.059 7.601 1.00 61.11 C ATOM 1160 CD2 PHE A 81 -4.541 2.253 7.174 1.00 34.42 C ATOM 1161 CE1 PHE A 81 -1.953 1.611 6.283 1.00 4.31 C ATOM 1162 CE2 PHE A 81 -4.343 1.783 5.863 1.00 73.45 C ATOM 1163 CZ PHE A 81 -3.046 1.484 5.411 1.00 64.45 C ATOM 0 H PHE A 81 -5.523 1.241 10.531 1.00 52.35 H new ATOM 0 HA PHE A 81 -2.557 1.424 10.469 1.00 42.24 H new ATOM 0 HB2 PHE A 81 -4.627 3.437 9.505 1.00 41.41 H new ATOM 0 HB3 PHE A 81 -2.907 3.749 9.630 1.00 41.41 H new ATOM 0 HD1 PHE A 81 -1.318 2.126 8.280 1.00 61.11 H new ATOM 0 HD2 PHE A 81 -5.538 2.486 7.517 1.00 34.42 H new ATOM 0 HE1 PHE A 81 -0.958 1.365 5.942 1.00 4.31 H new ATOM 0 HE2 PHE A 81 -5.188 1.652 5.203 1.00 73.45 H new ATOM 0 HZ PHE A 81 -2.890 1.157 4.394 1.00 64.45 H new ATOM 1172 N ASP A 82 -2.448 3.003 12.430 1.00 31.42 N ATOM 1173 CA ASP A 82 -2.299 3.627 13.748 1.00 21.22 C ATOM 1174 C ASP A 82 -2.458 5.148 13.714 1.00 62.25 C ATOM 1175 O ASP A 82 -2.373 5.807 14.750 1.00 65.55 O ATOM 1176 CB ASP A 82 -0.998 3.164 14.430 1.00 4.12 C ATOM 1177 CG ASP A 82 0.222 4.083 14.257 1.00 30.12 C ATOM 1178 OD1 ASP A 82 0.424 4.677 13.178 1.00 54.42 O ATOM 1179 OD2 ASP A 82 1.038 4.143 15.213 1.00 2.40 O ATOM 0 H ASP A 82 -1.575 2.974 11.904 1.00 31.42 H new ATOM 0 HA ASP A 82 -3.126 3.280 14.367 1.00 21.22 H new ATOM 0 HB2 ASP A 82 -1.192 3.049 15.496 1.00 4.12 H new ATOM 0 HB3 ASP A 82 -0.741 2.177 14.045 1.00 4.12 H new ATOM 1183 N ASP A 83 -2.757 5.702 12.537 1.00 65.33 N ATOM 1184 CA ASP A 83 -3.027 7.121 12.315 1.00 72.25 C ATOM 1185 C ASP A 83 -4.329 7.541 13.019 1.00 34.22 C ATOM 1186 O ASP A 83 -4.386 8.613 13.628 1.00 71.21 O ATOM 1187 CB ASP A 83 -3.098 7.356 10.794 1.00 5.21 C ATOM 1188 CG ASP A 83 -2.919 8.811 10.340 1.00 41.13 C ATOM 1189 OD1 ASP A 83 -3.453 9.761 10.953 1.00 72.15 O ATOM 1190 OD2 ASP A 83 -2.273 9.026 9.288 1.00 34.30 O ATOM 0 H ASP A 83 -2.820 5.152 11.680 1.00 65.33 H new ATOM 0 HA ASP A 83 -2.232 7.734 12.739 1.00 72.25 H new ATOM 0 HB2 ASP A 83 -2.332 6.747 10.314 1.00 5.21 H new ATOM 0 HB3 ASP A 83 -4.062 6.997 10.433 1.00 5.21 H new ATOM 1194 N GLY A 84 -5.358 6.675 13.017 1.00 71.22 N ATOM 1195 CA GLY A 84 -6.578 6.912 13.788 1.00 12.20 C ATOM 1196 C GLY A 84 -7.730 5.925 13.550 1.00 71.14 C ATOM 1197 O GLY A 84 -8.536 5.730 14.460 1.00 2.53 O ATOM 0 H GLY A 84 -5.363 5.804 12.486 1.00 71.22 H new ATOM 0 HA2 GLY A 84 -6.323 6.893 14.848 1.00 12.20 H new ATOM 0 HA3 GLY A 84 -6.936 7.917 13.564 1.00 12.20 H new ATOM 1201 N HIS A 85 -7.845 5.308 12.369 1.00 62.41 N ATOM 1202 CA HIS A 85 -8.960 4.431 11.970 1.00 42.45 C ATOM 1203 C HIS A 85 -8.400 3.193 11.265 1.00 24.10 C ATOM 1204 O HIS A 85 -7.276 3.259 10.757 1.00 32.40 O ATOM 1205 CB HIS A 85 -9.900 5.188 11.004 1.00 10.41 C ATOM 1206 CG HIS A 85 -11.275 5.530 11.529 1.00 21.42 C ATOM 1207 ND1 HIS A 85 -12.114 4.706 12.252 1.00 10.20 N ATOM 1208 CD2 HIS A 85 -11.966 6.681 11.260 1.00 74.44 C ATOM 1209 CE1 HIS A 85 -13.278 5.350 12.420 1.00 11.11 C ATOM 1210 NE2 HIS A 85 -13.229 6.571 11.858 1.00 73.42 N ATOM 0 H HIS A 85 -7.142 5.407 11.637 1.00 62.41 H new ATOM 0 HA HIS A 85 -9.519 4.131 12.856 1.00 42.45 H new ATOM 0 HB2 HIS A 85 -9.409 6.114 10.706 1.00 10.41 H new ATOM 0 HB3 HIS A 85 -10.019 4.586 10.103 1.00 10.41 H new ATOM 0 HD2 HIS A 85 -11.603 7.523 10.689 1.00 74.44 H new ATOM 0 HE1 HIS A 85 -14.136 4.944 12.935 1.00 11.11 H new ATOM 0 HE2 HIS A 85 -13.965 7.277 11.865 1.00 73.42 H new ATOM 1217 N ASP A 86 -9.190 2.115 11.143 1.00 3.42 N ATOM 1218 CA ASP A 86 -8.708 0.907 10.474 1.00 74.44 C ATOM 1219 C ASP A 86 -8.756 1.022 8.948 1.00 30.04 C ATOM 1220 O ASP A 86 -7.779 1.462 8.347 1.00 11.24 O ATOM 1221 CB ASP A 86 -9.370 -0.371 11.047 1.00 64.24 C ATOM 1222 CG ASP A 86 -10.881 -0.578 10.946 1.00 53.34 C ATOM 1223 OD1 ASP A 86 -11.358 -1.087 9.904 1.00 73.22 O ATOM 1224 OD2 ASP A 86 -11.563 -0.373 11.974 1.00 14.34 O ATOM 0 H ASP A 86 -10.146 2.059 11.493 1.00 3.42 H new ATOM 0 HA ASP A 86 -7.647 0.805 10.702 1.00 74.44 H new ATOM 0 HB2 ASP A 86 -8.896 -1.224 10.561 1.00 64.24 H new ATOM 0 HB3 ASP A 86 -9.109 -0.421 12.104 1.00 64.24 H new ATOM 1228 N THR A 87 -9.882 0.689 8.331 1.00 52.32 N ATOM 1229 CA THR A 87 -10.270 0.993 6.966 1.00 65.00 C ATOM 1230 C THR A 87 -9.173 0.811 5.903 1.00 44.50 C ATOM 1231 O THR A 87 -8.717 1.787 5.294 1.00 25.25 O ATOM 1232 CB THR A 87 -11.051 2.322 6.890 1.00 24.25 C ATOM 1233 OG1 THR A 87 -10.451 3.390 7.614 1.00 11.45 O ATOM 1234 CG2 THR A 87 -12.451 2.082 7.457 1.00 23.13 C ATOM 0 H THR A 87 -10.604 0.156 8.815 1.00 52.32 H new ATOM 0 HA THR A 87 -10.968 0.209 6.671 1.00 65.00 H new ATOM 0 HB THR A 87 -11.065 2.624 5.843 1.00 24.25 H new ATOM 0 HG1 THR A 87 -10.998 4.197 7.519 1.00 11.45 H new ATOM 0 HG21 THR A 87 -13.024 3.008 7.415 1.00 23.13 H new ATOM 0 HG22 THR A 87 -12.955 1.316 6.869 1.00 23.13 H new ATOM 0 HG23 THR A 87 -12.372 1.751 8.493 1.00 23.13 H new ATOM 1242 N GLY A 88 -8.781 -0.433 5.615 1.00 50.33 N ATOM 1243 CA GLY A 88 -8.138 -0.734 4.354 1.00 31.41 C ATOM 1244 C GLY A 88 -8.330 -2.203 4.032 1.00 24.52 C ATOM 1245 O GLY A 88 -8.369 -3.017 4.957 1.00 65.32 O ATOM 0 H GLY A 88 -8.900 -1.233 6.236 1.00 50.33 H new ATOM 0 HA2 GLY A 88 -8.561 -0.118 3.561 1.00 31.41 H new ATOM 0 HA3 GLY A 88 -7.075 -0.498 4.409 1.00 31.41 H new ATOM 1249 N LEU A 89 -8.439 -2.547 2.746 1.00 42.01 N ATOM 1250 CA LEU A 89 -8.734 -3.895 2.266 1.00 50.24 C ATOM 1251 C LEU A 89 -8.017 -4.132 0.938 1.00 10.23 C ATOM 1252 O LEU A 89 -8.180 -3.333 0.015 1.00 1.43 O ATOM 1253 CB LEU A 89 -10.252 -4.054 2.043 1.00 72.51 C ATOM 1254 CG LEU A 89 -10.894 -5.277 2.704 1.00 10.31 C ATOM 1255 CD1 LEU A 89 -10.123 -6.544 2.366 1.00 31.55 C ATOM 1256 CD2 LEU A 89 -11.026 -5.111 4.220 1.00 53.12 C ATOM 0 H LEU A 89 -8.320 -1.873 1.989 1.00 42.01 H new ATOM 0 HA LEU A 89 -8.395 -4.616 3.010 1.00 50.24 H new ATOM 0 HB2 LEU A 89 -10.751 -3.159 2.414 1.00 72.51 H new ATOM 0 HB3 LEU A 89 -10.440 -4.102 0.970 1.00 72.51 H new ATOM 0 HG LEU A 89 -11.902 -5.366 2.300 1.00 10.31 H new ATOM 0 HD11 LEU A 89 -10.599 -7.399 2.847 1.00 31.55 H new ATOM 0 HD12 LEU A 89 -10.120 -6.691 1.286 1.00 31.55 H new ATOM 0 HD13 LEU A 89 -9.097 -6.452 2.722 1.00 31.55 H new ATOM 0 HD21 LEU A 89 -11.486 -6.003 4.645 1.00 53.12 H new ATOM 0 HD22 LEU A 89 -10.038 -4.969 4.658 1.00 53.12 H new ATOM 0 HD23 LEU A 89 -11.648 -4.243 4.438 1.00 53.12 H new ATOM 1267 N TYR A 90 -7.266 -5.224 0.808 1.00 41.32 N ATOM 1268 CA TYR A 90 -6.302 -5.404 -0.277 1.00 50.11 C ATOM 1269 C TYR A 90 -6.330 -6.857 -0.754 1.00 34.34 C ATOM 1270 O TYR A 90 -6.121 -7.770 0.049 1.00 62.10 O ATOM 1271 CB TYR A 90 -4.898 -5.031 0.227 1.00 13.33 C ATOM 1272 CG TYR A 90 -4.767 -3.680 0.901 1.00 63.32 C ATOM 1273 CD1 TYR A 90 -5.103 -3.540 2.261 1.00 45.04 C ATOM 1274 CD2 TYR A 90 -4.290 -2.574 0.174 1.00 72.10 C ATOM 1275 CE1 TYR A 90 -5.049 -2.280 2.874 1.00 74.51 C ATOM 1276 CE2 TYR A 90 -4.200 -1.313 0.792 1.00 51.03 C ATOM 1277 CZ TYR A 90 -4.584 -1.170 2.144 1.00 42.13 C ATOM 1278 OH TYR A 90 -4.550 0.044 2.748 1.00 70.24 O ATOM 0 H TYR A 90 -7.309 -6.012 1.454 1.00 41.32 H new ATOM 0 HA TYR A 90 -6.563 -4.758 -1.115 1.00 50.11 H new ATOM 0 HB2 TYR A 90 -4.571 -5.798 0.929 1.00 13.33 H new ATOM 0 HB3 TYR A 90 -4.211 -5.060 -0.619 1.00 13.33 H new ATOM 0 HD1 TYR A 90 -5.403 -4.405 2.834 1.00 45.04 H new ATOM 0 HD2 TYR A 90 -3.993 -2.693 -0.858 1.00 72.10 H new ATOM 0 HE1 TYR A 90 -5.363 -2.162 3.901 1.00 74.51 H new ATOM 0 HE2 TYR A 90 -3.840 -0.460 0.236 1.00 51.03 H new ATOM 0 HH TYR A 90 -4.072 0.681 2.176 1.00 70.24 H new ATOM 1287 N SER A 91 -6.598 -7.083 -2.041 1.00 13.11 N ATOM 1288 CA SER A 91 -6.628 -8.412 -2.666 1.00 25.22 C ATOM 1289 C SER A 91 -5.239 -8.772 -3.172 1.00 65.20 C ATOM 1290 O SER A 91 -4.503 -7.873 -3.568 1.00 63.42 O ATOM 1291 CB SER A 91 -7.622 -8.450 -3.835 1.00 73.13 C ATOM 1292 OG SER A 91 -8.819 -7.753 -3.550 1.00 25.52 O ATOM 0 H SER A 91 -6.806 -6.330 -2.697 1.00 13.11 H new ATOM 0 HA SER A 91 -6.949 -9.134 -1.915 1.00 25.22 H new ATOM 0 HB2 SER A 91 -7.155 -8.017 -4.719 1.00 73.13 H new ATOM 0 HB3 SER A 91 -7.857 -9.487 -4.074 1.00 73.13 H new ATOM 0 HG SER A 91 -9.419 -7.804 -4.323 1.00 25.52 H new ATOM 1297 N TRP A 92 -4.876 -10.058 -3.223 1.00 50.40 N ATOM 1298 CA TRP A 92 -3.535 -10.512 -3.601 1.00 23.25 C ATOM 1299 C TRP A 92 -3.020 -9.883 -4.897 1.00 25.23 C ATOM 1300 O TRP A 92 -1.830 -9.576 -4.985 1.00 63.31 O ATOM 1301 CB TRP A 92 -3.509 -12.041 -3.688 1.00 50.12 C ATOM 1302 CG TRP A 92 -4.078 -12.784 -2.517 1.00 41.20 C ATOM 1303 CD1 TRP A 92 -4.790 -13.931 -2.608 1.00 51.42 C ATOM 1304 CD2 TRP A 92 -3.983 -12.485 -1.086 1.00 63.22 C ATOM 1305 NE1 TRP A 92 -5.143 -14.351 -1.346 1.00 33.45 N ATOM 1306 CE2 TRP A 92 -4.643 -13.525 -0.375 1.00 22.15 C ATOM 1307 CE3 TRP A 92 -3.393 -11.469 -0.301 1.00 74.11 C ATOM 1308 CZ2 TRP A 92 -4.686 -13.585 1.019 1.00 21.45 C ATOM 1309 CZ3 TRP A 92 -3.395 -11.533 1.104 1.00 14.33 C ATOM 1310 CH2 TRP A 92 -4.020 -12.603 1.763 1.00 5.44 C ATOM 0 H TRP A 92 -5.514 -10.822 -3.000 1.00 50.40 H new ATOM 0 HA TRP A 92 -2.855 -10.176 -2.818 1.00 23.25 H new ATOM 0 HB2 TRP A 92 -4.055 -12.342 -4.582 1.00 50.12 H new ATOM 0 HB3 TRP A 92 -2.475 -12.358 -3.824 1.00 50.12 H new ATOM 0 HD1 TRP A 92 -5.042 -14.438 -3.528 1.00 51.42 H new ATOM 0 HE1 TRP A 92 -5.709 -15.178 -1.157 1.00 33.45 H new ATOM 0 HE3 TRP A 92 -2.930 -10.625 -0.791 1.00 74.11 H new ATOM 0 HZ2 TRP A 92 -5.225 -14.377 1.517 1.00 21.45 H new ATOM 0 HZ3 TRP A 92 -2.913 -10.755 1.678 1.00 14.33 H new ATOM 0 HH2 TRP A 92 -3.987 -12.669 2.840 1.00 5.44 H new ATOM 1320 N LYS A 93 -3.904 -9.640 -5.868 1.00 21.54 N ATOM 1321 CA LYS A 93 -3.576 -8.940 -7.102 1.00 74.31 C ATOM 1322 C LYS A 93 -3.129 -7.505 -6.819 1.00 62.23 C ATOM 1323 O LYS A 93 -2.099 -7.092 -7.338 1.00 63.21 O ATOM 1324 CB LYS A 93 -4.801 -8.948 -8.029 1.00 71.50 C ATOM 1325 CG LYS A 93 -4.455 -8.486 -9.455 1.00 23.55 C ATOM 1326 CD LYS A 93 -5.482 -7.479 -9.979 1.00 62.34 C ATOM 1327 CE LYS A 93 -5.241 -7.228 -11.467 1.00 15.12 C ATOM 1328 NZ LYS A 93 -6.239 -6.283 -11.999 1.00 44.42 N ATOM 0 H LYS A 93 -4.880 -9.930 -5.813 1.00 21.54 H new ATOM 0 HA LYS A 93 -2.747 -9.453 -7.589 1.00 74.31 H new ATOM 0 HB2 LYS A 93 -5.219 -9.954 -8.066 1.00 71.50 H new ATOM 0 HB3 LYS A 93 -5.572 -8.298 -7.615 1.00 71.50 H new ATOM 0 HG2 LYS A 93 -3.463 -8.034 -9.462 1.00 23.55 H new ATOM 0 HG3 LYS A 93 -4.417 -9.349 -10.120 1.00 23.55 H new ATOM 0 HD2 LYS A 93 -6.492 -7.859 -9.823 1.00 62.34 H new ATOM 0 HD3 LYS A 93 -5.405 -6.544 -9.425 1.00 62.34 H new ATOM 0 HE2 LYS A 93 -4.238 -6.829 -11.617 1.00 15.12 H new ATOM 0 HE3 LYS A 93 -5.295 -8.169 -12.014 1.00 15.12 H new ATOM 0 HZ1 LYS A 93 -6.061 -6.123 -13.011 1.00 44.42 H new ATOM 0 HZ2 LYS A 93 -7.193 -6.678 -11.873 1.00 44.42 H new ATOM 0 HZ3 LYS A 93 -6.168 -5.380 -11.488 1.00 44.42 H new ATOM 1338 N VAL A 94 -3.880 -6.762 -5.999 1.00 72.24 N ATOM 1339 CA VAL A 94 -3.594 -5.366 -5.661 1.00 50.42 C ATOM 1340 C VAL A 94 -2.193 -5.270 -5.059 1.00 74.21 C ATOM 1341 O VAL A 94 -1.405 -4.412 -5.444 1.00 24.31 O ATOM 1342 CB VAL A 94 -4.629 -4.817 -4.650 1.00 14.24 C ATOM 1343 CG1 VAL A 94 -4.495 -3.304 -4.426 1.00 73.42 C ATOM 1344 CG2 VAL A 94 -6.076 -5.097 -5.060 1.00 62.22 C ATOM 0 H VAL A 94 -4.719 -7.122 -5.544 1.00 72.24 H new ATOM 0 HA VAL A 94 -3.653 -4.769 -6.571 1.00 50.42 H new ATOM 0 HB VAL A 94 -4.403 -5.350 -3.727 1.00 14.24 H new ATOM 0 HG11 VAL A 94 -5.246 -2.975 -3.708 1.00 73.42 H new ATOM 0 HG12 VAL A 94 -3.501 -3.080 -4.040 1.00 73.42 H new ATOM 0 HG13 VAL A 94 -4.643 -2.782 -5.371 1.00 73.42 H new ATOM 0 HG21 VAL A 94 -6.752 -4.687 -4.310 1.00 62.22 H new ATOM 0 HG22 VAL A 94 -6.278 -4.631 -6.024 1.00 62.22 H new ATOM 0 HG23 VAL A 94 -6.230 -6.173 -5.138 1.00 62.22 H new ATOM 1354 N LEU A 95 -1.892 -6.149 -4.098 1.00 24.14 N ATOM 1355 CA LEU A 95 -0.616 -6.142 -3.399 1.00 45.30 C ATOM 1356 C LEU A 95 0.534 -6.300 -4.395 1.00 40.23 C ATOM 1357 O LEU A 95 1.536 -5.598 -4.264 1.00 1.10 O ATOM 1358 CB LEU A 95 -0.565 -7.264 -2.349 1.00 24.42 C ATOM 1359 CG LEU A 95 -1.393 -7.023 -1.067 1.00 30.54 C ATOM 1360 CD1 LEU A 95 -2.858 -7.403 -1.180 1.00 62.23 C ATOM 1361 CD2 LEU A 95 -0.795 -7.842 0.096 1.00 45.15 C ATOM 0 H LEU A 95 -2.530 -6.882 -3.788 1.00 24.14 H new ATOM 0 HA LEU A 95 -0.511 -5.186 -2.887 1.00 45.30 H new ATOM 0 HB2 LEU A 95 -0.911 -8.187 -2.814 1.00 24.42 H new ATOM 0 HB3 LEU A 95 0.475 -7.421 -2.063 1.00 24.42 H new ATOM 0 HG LEU A 95 -1.345 -5.948 -0.894 1.00 30.54 H new ATOM 0 HD11 LEU A 95 -3.361 -7.200 -0.234 1.00 62.23 H new ATOM 0 HD12 LEU A 95 -3.326 -6.818 -1.972 1.00 62.23 H new ATOM 0 HD13 LEU A 95 -2.942 -8.464 -1.415 1.00 62.23 H new ATOM 0 HD21 LEU A 95 -1.380 -7.671 1.000 1.00 45.15 H new ATOM 0 HD22 LEU A 95 -0.818 -8.902 -0.156 1.00 45.15 H new ATOM 0 HD23 LEU A 95 0.236 -7.532 0.267 1.00 45.15 H new ATOM 1372 N TYR A 96 0.394 -7.205 -5.369 1.00 73.30 N ATOM 1373 CA TYR A 96 1.396 -7.414 -6.398 1.00 52.13 C ATOM 1374 C TYR A 96 1.503 -6.164 -7.266 1.00 21.24 C ATOM 1375 O TYR A 96 2.598 -5.645 -7.448 1.00 4.24 O ATOM 1376 CB TYR A 96 1.031 -8.658 -7.223 1.00 74.14 C ATOM 1377 CG TYR A 96 2.176 -9.421 -7.874 1.00 72.20 C ATOM 1378 CD1 TYR A 96 3.430 -8.830 -8.144 1.00 55.10 C ATOM 1379 CD2 TYR A 96 1.972 -10.778 -8.195 1.00 12.14 C ATOM 1380 CE1 TYR A 96 4.449 -9.574 -8.762 1.00 75.32 C ATOM 1381 CE2 TYR A 96 2.987 -11.529 -8.808 1.00 52.21 C ATOM 1382 CZ TYR A 96 4.218 -10.916 -9.123 1.00 32.55 C ATOM 1383 OH TYR A 96 5.175 -11.613 -9.780 1.00 63.41 O ATOM 0 H TYR A 96 -0.422 -7.810 -5.459 1.00 73.30 H new ATOM 0 HA TYR A 96 2.372 -7.589 -5.946 1.00 52.13 H new ATOM 0 HB2 TYR A 96 0.491 -9.348 -6.574 1.00 74.14 H new ATOM 0 HB3 TYR A 96 0.339 -8.352 -8.008 1.00 74.14 H new ATOM 0 HD1 TYR A 96 3.607 -7.799 -7.874 1.00 55.10 H new ATOM 0 HD2 TYR A 96 1.025 -11.245 -7.967 1.00 12.14 H new ATOM 0 HE1 TYR A 96 5.408 -9.118 -8.960 1.00 75.32 H new ATOM 0 HE2 TYR A 96 2.826 -12.572 -9.038 1.00 52.21 H new ATOM 0 HH TYR A 96 4.856 -12.523 -9.953 1.00 63.41 H new ATOM 1392 N ASP A 97 0.376 -5.673 -7.783 1.00 2.12 N ATOM 1393 CA ASP A 97 0.345 -4.604 -8.780 1.00 63.20 C ATOM 1394 C ASP A 97 1.038 -3.343 -8.293 1.00 54.40 C ATOM 1395 O ASP A 97 1.834 -2.750 -9.019 1.00 73.43 O ATOM 1396 CB ASP A 97 -1.095 -4.252 -9.146 1.00 21.55 C ATOM 1397 CG ASP A 97 -1.130 -3.515 -10.480 1.00 15.13 C ATOM 1398 OD1 ASP A 97 -1.061 -2.269 -10.479 1.00 4.03 O ATOM 1399 OD2 ASP A 97 -1.330 -4.208 -11.508 1.00 33.53 O ATOM 0 H ASP A 97 -0.550 -6.010 -7.518 1.00 2.12 H new ATOM 0 HA ASP A 97 0.878 -4.981 -9.653 1.00 63.20 H new ATOM 0 HB2 ASP A 97 -1.695 -5.160 -9.207 1.00 21.55 H new ATOM 0 HB3 ASP A 97 -1.535 -3.630 -8.366 1.00 21.55 H new ATOM 1403 N LEU A 98 0.776 -2.972 -7.039 1.00 23.41 N ATOM 1404 CA LEU A 98 1.406 -1.854 -6.374 1.00 42.21 C ATOM 1405 C LEU A 98 2.910 -2.026 -6.399 1.00 52.14 C ATOM 1406 O LEU A 98 3.609 -1.126 -6.843 1.00 75.12 O ATOM 1407 CB LEU A 98 0.882 -1.770 -4.932 1.00 52.22 C ATOM 1408 CG LEU A 98 -0.576 -1.296 -4.877 1.00 32.51 C ATOM 1409 CD1 LEU A 98 -1.120 -1.448 -3.444 1.00 11.14 C ATOM 1410 CD2 LEU A 98 -0.690 0.159 -5.321 1.00 24.21 C ATOM 0 H LEU A 98 0.100 -3.460 -6.451 1.00 23.41 H new ATOM 0 HA LEU A 98 1.164 -0.925 -6.890 1.00 42.21 H new ATOM 0 HB2 LEU A 98 0.963 -2.749 -4.459 1.00 52.22 H new ATOM 0 HB3 LEU A 98 1.507 -1.086 -4.358 1.00 52.22 H new ATOM 0 HG LEU A 98 -1.165 -1.911 -5.557 1.00 32.51 H new ATOM 0 HD11 LEU A 98 -2.156 -1.110 -3.410 1.00 11.14 H new ATOM 0 HD12 LEU A 98 -1.070 -2.495 -3.145 1.00 11.14 H new ATOM 0 HD13 LEU A 98 -0.520 -0.847 -2.761 1.00 11.14 H new ATOM 0 HD21 LEU A 98 -1.733 0.473 -5.274 1.00 24.21 H new ATOM 0 HD22 LEU A 98 -0.091 0.788 -4.663 1.00 24.21 H new ATOM 0 HD23 LEU A 98 -0.328 0.257 -6.344 1.00 24.21 H new ATOM 1421 N ALA A 99 3.415 -3.169 -5.936 1.00 60.34 N ATOM 1422 CA ALA A 99 4.845 -3.406 -5.870 1.00 23.11 C ATOM 1423 C ALA A 99 5.480 -3.486 -7.258 1.00 72.24 C ATOM 1424 O ALA A 99 6.589 -2.993 -7.449 1.00 72.13 O ATOM 1425 CB ALA A 99 5.105 -4.663 -5.056 1.00 12.41 C ATOM 0 H ALA A 99 2.846 -3.946 -5.601 1.00 60.34 H new ATOM 0 HA ALA A 99 5.318 -2.558 -5.375 1.00 23.11 H new ATOM 0 HB1 ALA A 99 6.178 -4.847 -5.003 1.00 12.41 H new ATOM 0 HB2 ALA A 99 4.709 -4.533 -4.049 1.00 12.41 H new ATOM 0 HB3 ALA A 99 4.615 -5.512 -5.532 1.00 12.41 H new ATOM 1431 N SER A 100 4.798 -4.065 -8.249 1.00 40.45 N ATOM 1432 CA SER A 100 5.256 -4.090 -9.637 1.00 33.12 C ATOM 1433 C SER A 100 5.535 -2.681 -10.184 1.00 60.11 C ATOM 1434 O SER A 100 6.306 -2.548 -11.139 1.00 23.12 O ATOM 1435 CB SER A 100 4.210 -4.809 -10.501 1.00 71.53 C ATOM 1436 OG SER A 100 4.176 -6.211 -10.252 1.00 74.11 O ATOM 0 H SER A 100 3.903 -4.534 -8.107 1.00 40.45 H new ATOM 0 HA SER A 100 6.201 -4.631 -9.673 1.00 33.12 H new ATOM 0 HB2 SER A 100 3.226 -4.383 -10.306 1.00 71.53 H new ATOM 0 HB3 SER A 100 4.430 -4.634 -11.554 1.00 71.53 H new ATOM 0 HG SER A 100 3.737 -6.380 -9.392 1.00 74.11 H new ATOM 1441 N ASN A 101 4.944 -1.642 -9.588 1.00 2.12 N ATOM 1442 CA ASN A 101 4.932 -0.278 -10.100 1.00 34.33 C ATOM 1443 C ASN A 101 5.350 0.754 -9.062 1.00 64.12 C ATOM 1444 O ASN A 101 5.164 1.941 -9.314 1.00 31.53 O ATOM 1445 CB ASN A 101 3.514 0.019 -10.607 1.00 41.44 C ATOM 1446 CG ASN A 101 3.175 -0.835 -11.820 1.00 22.52 C ATOM 1447 OD1 ASN A 101 3.751 -0.686 -12.892 1.00 14.02 O ATOM 1448 ND2 ASN A 101 2.312 -1.818 -11.651 1.00 71.10 N ATOM 0 H ASN A 101 4.444 -1.736 -8.704 1.00 2.12 H new ATOM 0 HA ASN A 101 5.665 -0.204 -10.904 1.00 34.33 H new ATOM 0 HB2 ASN A 101 2.793 -0.171 -9.812 1.00 41.44 H new ATOM 0 HB3 ASN A 101 3.431 1.074 -10.867 1.00 41.44 H new ATOM 0 HD21 ASN A 101 2.118 -2.464 -12.416 1.00 71.10 H new ATOM 0 HD22 ASN A 101 1.839 -1.933 -10.755 1.00 71.10 H new ATOM 1454 N GLN A 102 5.865 0.380 -7.888 1.00 62.44 N ATOM 1455 CA GLN A 102 5.728 1.237 -6.722 1.00 42.33 C ATOM 1456 C GLN A 102 6.528 2.531 -6.858 1.00 71.45 C ATOM 1457 O GLN A 102 6.147 3.548 -6.292 1.00 1.31 O ATOM 1458 CB GLN A 102 6.147 0.444 -5.459 1.00 55.32 C ATOM 1459 CG GLN A 102 7.637 0.024 -5.422 1.00 72.21 C ATOM 1460 CD GLN A 102 7.897 -1.269 -4.639 1.00 21.43 C ATOM 1461 OE1 GLN A 102 8.283 -2.298 -5.189 1.00 20.23 O ATOM 1462 NE2 GLN A 102 7.712 -1.284 -3.333 1.00 44.44 N ATOM 0 H GLN A 102 6.369 -0.492 -7.727 1.00 62.44 H new ATOM 0 HA GLN A 102 4.684 1.536 -6.633 1.00 42.33 H new ATOM 0 HB2 GLN A 102 5.933 1.050 -4.579 1.00 55.32 H new ATOM 0 HB3 GLN A 102 5.530 -0.451 -5.388 1.00 55.32 H new ATOM 0 HG2 GLN A 102 7.994 -0.103 -6.444 1.00 72.21 H new ATOM 0 HG3 GLN A 102 8.221 0.830 -4.978 1.00 72.21 H new ATOM 0 HE21 GLN A 102 7.392 -0.442 -2.854 1.00 44.44 H new ATOM 0 HE22 GLN A 102 7.889 -2.137 -2.803 1.00 44.44 H new ATOM 1469 N VAL A 103 7.608 2.479 -7.631 1.00 40.03 N ATOM 1470 CA VAL A 103 8.508 3.549 -8.035 1.00 41.34 C ATOM 1471 C VAL A 103 7.799 4.596 -8.884 1.00 61.42 C ATOM 1472 O VAL A 103 8.014 5.801 -8.755 1.00 12.40 O ATOM 1473 CB VAL A 103 9.621 2.831 -8.828 1.00 61.13 C ATOM 1474 CG1 VAL A 103 10.510 3.727 -9.683 1.00 62.45 C ATOM 1475 CG2 VAL A 103 10.488 2.107 -7.801 1.00 12.30 C ATOM 0 H VAL A 103 7.904 1.589 -8.032 1.00 40.03 H new ATOM 0 HA VAL A 103 8.899 4.101 -7.180 1.00 41.34 H new ATOM 0 HB VAL A 103 9.130 2.170 -9.542 1.00 61.13 H new ATOM 0 HG11 VAL A 103 11.255 3.118 -10.195 1.00 62.45 H new ATOM 0 HG12 VAL A 103 9.899 4.249 -10.420 1.00 62.45 H new ATOM 0 HG13 VAL A 103 11.012 4.456 -9.046 1.00 62.45 H new ATOM 0 HG21 VAL A 103 11.294 1.581 -8.312 1.00 12.30 H new ATOM 0 HG22 VAL A 103 10.911 2.832 -7.106 1.00 12.30 H new ATOM 0 HG23 VAL A 103 9.878 1.390 -7.251 1.00 12.30 H new ATOM 1485 N ASP A 104 7.007 4.094 -9.812 1.00 22.34 N ATOM 1486 CA ASP A 104 6.504 4.781 -10.983 1.00 23.50 C ATOM 1487 C ASP A 104 5.216 5.474 -10.656 1.00 54.41 C ATOM 1488 O ASP A 104 5.006 6.658 -10.925 1.00 15.34 O ATOM 1489 CB ASP A 104 6.207 3.712 -12.027 1.00 54.11 C ATOM 1490 CG ASP A 104 7.517 3.163 -12.586 1.00 24.54 C ATOM 1491 OD1 ASP A 104 8.321 4.002 -13.061 1.00 55.15 O ATOM 1492 OD2 ASP A 104 7.784 1.948 -12.440 1.00 14.34 O ATOM 0 H ASP A 104 6.677 3.130 -9.763 1.00 22.34 H new ATOM 0 HA ASP A 104 7.230 5.514 -11.334 1.00 23.50 H new ATOM 0 HB2 ASP A 104 5.624 2.906 -11.581 1.00 54.11 H new ATOM 0 HB3 ASP A 104 5.605 4.133 -12.832 1.00 54.11 H new ATOM 1496 N LEU A 105 4.353 4.684 -10.040 1.00 11.11 N ATOM 1497 CA LEU A 105 3.079 5.092 -9.523 1.00 20.21 C ATOM 1498 C LEU A 105 3.345 6.251 -8.544 1.00 1.11 C ATOM 1499 O LEU A 105 2.613 7.244 -8.551 1.00 73.52 O ATOM 1500 CB LEU A 105 2.384 3.796 -9.023 1.00 34.24 C ATOM 1501 CG LEU A 105 2.679 3.231 -7.645 1.00 61.10 C ATOM 1502 CD1 LEU A 105 2.272 4.219 -6.583 1.00 32.52 C ATOM 1503 CD2 LEU A 105 1.970 1.888 -7.429 1.00 53.00 C ATOM 0 H LEU A 105 4.541 3.694 -9.885 1.00 11.11 H new ATOM 0 HA LEU A 105 2.361 5.521 -10.222 1.00 20.21 H new ATOM 0 HB2 LEU A 105 1.309 3.971 -9.073 1.00 34.24 H new ATOM 0 HB3 LEU A 105 2.613 3.012 -9.745 1.00 34.24 H new ATOM 0 HG LEU A 105 3.752 3.054 -7.573 1.00 61.10 H new ATOM 0 HD11 LEU A 105 2.488 3.804 -5.598 1.00 32.52 H new ATOM 0 HD12 LEU A 105 2.829 5.146 -6.716 1.00 32.52 H new ATOM 0 HD13 LEU A 105 1.204 4.422 -6.665 1.00 32.52 H new ATOM 0 HD21 LEU A 105 2.202 1.510 -6.433 1.00 53.00 H new ATOM 0 HD22 LEU A 105 0.893 2.026 -7.523 1.00 53.00 H new ATOM 0 HD23 LEU A 105 2.311 1.172 -8.177 1.00 53.00 H new ATOM 1514 N TRP A 106 4.455 6.175 -7.789 1.00 52.04 N ATOM 1515 CA TRP A 106 4.819 7.168 -6.791 1.00 61.45 C ATOM 1516 C TRP A 106 5.325 8.457 -7.436 1.00 55.01 C ATOM 1517 O TRP A 106 5.071 9.556 -6.956 1.00 33.34 O ATOM 1518 CB TRP A 106 5.898 6.557 -5.893 1.00 44.11 C ATOM 1519 CG TRP A 106 6.397 7.463 -4.828 1.00 54.35 C ATOM 1520 CD1 TRP A 106 7.650 7.939 -4.679 1.00 15.03 C ATOM 1521 CD2 TRP A 106 5.603 8.073 -3.787 1.00 0.04 C ATOM 1522 NE1 TRP A 106 7.671 8.797 -3.597 1.00 41.22 N ATOM 1523 CE2 TRP A 106 6.410 8.992 -3.070 1.00 51.04 C ATOM 1524 CE3 TRP A 106 4.265 7.937 -3.396 1.00 71.42 C ATOM 1525 CZ2 TRP A 106 5.880 9.809 -2.059 1.00 13.12 C ATOM 1526 CZ3 TRP A 106 3.721 8.753 -2.394 1.00 40.04 C ATOM 1527 CH2 TRP A 106 4.522 9.696 -1.732 1.00 21.34 C ATOM 0 H TRP A 106 5.125 5.410 -7.864 1.00 52.04 H new ATOM 0 HA TRP A 106 3.939 7.435 -6.206 1.00 61.45 H new ATOM 0 HB2 TRP A 106 5.499 5.656 -5.428 1.00 44.11 H new ATOM 0 HB3 TRP A 106 6.739 6.249 -6.514 1.00 44.11 H new ATOM 0 HD1 TRP A 106 8.496 7.691 -5.302 1.00 15.03 H new ATOM 0 HE1 TRP A 106 8.517 9.234 -3.231 1.00 41.22 H new ATOM 0 HE3 TRP A 106 3.644 7.193 -3.873 1.00 71.42 H new ATOM 0 HZ2 TRP A 106 6.511 10.516 -1.540 1.00 13.12 H new ATOM 0 HZ3 TRP A 106 2.678 8.655 -2.130 1.00 40.04 H new ATOM 0 HH2 TRP A 106 4.093 10.333 -0.973 1.00 21.34 H new ATOM 1537 N GLU A 107 6.042 8.332 -8.542 1.00 2.13 N ATOM 1538 CA GLU A 107 6.689 9.464 -9.210 1.00 53.33 C ATOM 1539 C GLU A 107 5.639 10.461 -9.695 1.00 13.33 C ATOM 1540 O GLU A 107 5.686 11.656 -9.403 1.00 11.14 O ATOM 1541 CB GLU A 107 7.509 8.924 -10.393 1.00 13.40 C ATOM 1542 CG GLU A 107 8.974 9.402 -10.352 1.00 75.32 C ATOM 1543 CD GLU A 107 9.392 10.592 -11.227 1.00 64.23 C ATOM 1544 OE1 GLU A 107 9.026 11.747 -10.904 1.00 53.01 O ATOM 1545 OE2 GLU A 107 10.254 10.374 -12.120 1.00 41.43 O ATOM 0 H GLU A 107 6.196 7.438 -9.009 1.00 2.13 H new ATOM 0 HA GLU A 107 7.347 9.984 -8.513 1.00 53.33 H new ATOM 0 HB2 GLU A 107 7.484 7.834 -10.383 1.00 13.40 H new ATOM 0 HB3 GLU A 107 7.050 9.245 -11.328 1.00 13.40 H new ATOM 0 HG2 GLU A 107 9.209 9.655 -9.318 1.00 75.32 H new ATOM 0 HG3 GLU A 107 9.604 8.555 -10.624 1.00 75.32 H new ATOM 1550 N ASN A 108 4.643 9.929 -10.399 1.00 23.30 N ATOM 1551 CA ASN A 108 3.468 10.664 -10.833 1.00 43.20 C ATOM 1552 C ASN A 108 2.750 11.328 -9.645 1.00 31.53 C ATOM 1553 O ASN A 108 2.258 12.445 -9.800 1.00 60.11 O ATOM 1554 CB ASN A 108 2.620 9.770 -11.755 1.00 41.22 C ATOM 1555 CG ASN A 108 1.155 9.824 -11.400 1.00 32.23 C ATOM 1556 OD1 ASN A 108 0.328 10.451 -12.058 1.00 31.43 O ATOM 1557 ND2 ASN A 108 0.856 9.144 -10.314 1.00 15.13 N ATOM 0 H ASN A 108 4.635 8.951 -10.688 1.00 23.30 H new ATOM 0 HA ASN A 108 3.741 11.521 -11.450 1.00 43.20 H new ATOM 0 HB2 ASN A 108 2.754 10.085 -12.790 1.00 41.22 H new ATOM 0 HB3 ASN A 108 2.972 8.741 -11.687 1.00 41.22 H new ATOM 0 HD21 ASN A 108 -0.106 9.118 -9.977 1.00 15.13 H new ATOM 0 HD22 ASN A 108 1.587 8.642 -9.809 1.00 15.13 H new ATOM 1563 N TYR A 109 2.746 10.719 -8.452 1.00 55.11 N ATOM 1564 CA TYR A 109 2.228 11.376 -7.256 1.00 63.42 C ATOM 1565 C TYR A 109 3.091 12.569 -6.889 1.00 74.14 C ATOM 1566 O TYR A 109 2.546 13.666 -6.790 1.00 55.14 O ATOM 1567 CB TYR A 109 2.067 10.407 -6.078 1.00 54.33 C ATOM 1568 CG TYR A 109 1.015 9.325 -6.249 1.00 34.44 C ATOM 1569 CD1 TYR A 109 -0.047 9.461 -7.166 1.00 13.22 C ATOM 1570 CD2 TYR A 109 1.092 8.163 -5.460 1.00 34.41 C ATOM 1571 CE1 TYR A 109 -1.015 8.457 -7.282 1.00 32.45 C ATOM 1572 CE2 TYR A 109 0.114 7.160 -5.560 1.00 12.35 C ATOM 1573 CZ TYR A 109 -0.968 7.322 -6.455 1.00 23.44 C ATOM 1574 OH TYR A 109 -2.009 6.449 -6.459 1.00 22.32 O ATOM 0 H TYR A 109 3.096 9.774 -8.295 1.00 55.11 H new ATOM 0 HA TYR A 109 1.227 11.738 -7.489 1.00 63.42 H new ATOM 0 HB2 TYR A 109 3.028 9.927 -5.894 1.00 54.33 H new ATOM 0 HB3 TYR A 109 1.824 10.986 -5.187 1.00 54.33 H new ATOM 0 HD1 TYR A 109 -0.114 10.345 -7.783 1.00 13.22 H new ATOM 0 HD2 TYR A 109 1.913 8.041 -4.769 1.00 34.41 H new ATOM 0 HE1 TYR A 109 -1.804 8.555 -8.013 1.00 32.45 H new ATOM 0 HE2 TYR A 109 0.188 6.268 -4.955 1.00 12.35 H new ATOM 0 HH TYR A 109 -1.670 5.535 -6.362 1.00 22.32 H new ATOM 1583 N LEU A 110 4.413 12.420 -6.774 1.00 54.35 N ATOM 1584 CA LEU A 110 5.315 13.520 -6.431 1.00 14.41 C ATOM 1585 C LEU A 110 5.208 14.719 -7.369 1.00 34.31 C ATOM 1586 O LEU A 110 5.601 15.831 -7.000 1.00 53.34 O ATOM 1587 CB LEU A 110 6.763 13.019 -6.413 1.00 32.30 C ATOM 1588 CG LEU A 110 7.027 11.938 -5.355 1.00 15.43 C ATOM 1589 CD1 LEU A 110 8.513 11.623 -5.328 1.00 15.34 C ATOM 1590 CD2 LEU A 110 6.547 12.399 -3.988 1.00 72.55 C ATOM 0 H LEU A 110 4.889 11.529 -6.917 1.00 54.35 H new ATOM 0 HA LEU A 110 5.010 13.866 -5.443 1.00 14.41 H new ATOM 0 HB2 LEU A 110 7.013 12.621 -7.397 1.00 32.30 H new ATOM 0 HB3 LEU A 110 7.428 13.863 -6.232 1.00 32.30 H new ATOM 0 HG LEU A 110 6.473 11.035 -5.612 1.00 15.43 H new ATOM 0 HD11 LEU A 110 8.709 10.856 -4.579 1.00 15.34 H new ATOM 0 HD12 LEU A 110 8.826 11.262 -6.308 1.00 15.34 H new ATOM 0 HD13 LEU A 110 9.072 12.525 -5.078 1.00 15.34 H new ATOM 0 HD21 LEU A 110 6.743 11.619 -3.252 1.00 72.55 H new ATOM 0 HD22 LEU A 110 7.077 13.308 -3.704 1.00 72.55 H new ATOM 0 HD23 LEU A 110 5.477 12.600 -4.027 1.00 72.55 H new ATOM 1601 N ALA A 111 4.660 14.515 -8.562 1.00 73.25 N ATOM 1602 CA ALA A 111 4.172 15.562 -9.426 1.00 73.12 C ATOM 1603 C ALA A 111 2.764 16.020 -9.013 1.00 40.11 C ATOM 1604 O ALA A 111 2.646 17.129 -8.485 1.00 15.11 O ATOM 1605 CB ALA A 111 4.299 15.051 -10.871 1.00 63.22 C ATOM 0 H ALA A 111 4.544 13.583 -8.959 1.00 73.25 H new ATOM 0 HA ALA A 111 4.765 16.472 -9.340 1.00 73.12 H new ATOM 0 HB1 ALA A 111 3.939 15.815 -11.560 1.00 63.22 H new ATOM 0 HB2 ALA A 111 5.344 14.829 -11.088 1.00 63.22 H new ATOM 0 HB3 ALA A 111 3.704 14.146 -10.990 1.00 63.22 H new ATOM 1611 N ARG A 112 1.704 15.220 -9.217 1.00 44.34 N ATOM 1612 CA ARG A 112 0.299 15.651 -9.047 1.00 43.41 C ATOM 1613 C ARG A 112 0.044 16.308 -7.694 1.00 74.13 C ATOM 1614 O ARG A 112 -0.738 17.250 -7.605 1.00 21.21 O ATOM 1615 CB ARG A 112 -0.695 14.483 -9.180 1.00 35.54 C ATOM 1616 CG ARG A 112 -0.535 13.555 -10.395 1.00 34.34 C ATOM 1617 CD ARG A 112 -1.819 13.385 -11.211 1.00 20.51 C ATOM 1618 NE ARG A 112 -2.187 14.598 -11.964 1.00 42.40 N ATOM 1619 CZ ARG A 112 -3.101 14.618 -12.943 1.00 43.43 C ATOM 1620 NH1 ARG A 112 -3.875 13.563 -13.148 1.00 31.42 N ATOM 1621 NH2 ARG A 112 -3.256 15.698 -13.701 1.00 72.31 N ATOM 0 H ARG A 112 1.795 14.246 -9.507 1.00 44.34 H new ATOM 0 HA ARG A 112 0.139 16.374 -9.847 1.00 43.41 H new ATOM 0 HB2 ARG A 112 -0.622 13.874 -8.279 1.00 35.54 H new ATOM 0 HB3 ARG A 112 -1.702 14.899 -9.203 1.00 35.54 H new ATOM 0 HG2 ARG A 112 0.247 13.950 -11.043 1.00 34.34 H new ATOM 0 HG3 ARG A 112 -0.200 12.576 -10.052 1.00 34.34 H new ATOM 0 HD2 ARG A 112 -1.694 12.556 -11.907 1.00 20.51 H new ATOM 0 HD3 ARG A 112 -2.636 13.118 -10.541 1.00 20.51 H new ATOM 0 HE ARG A 112 -1.719 15.472 -11.726 1.00 42.40 H new ATOM 0 HH11 ARG A 112 -3.775 12.735 -12.560 1.00 31.42 H new ATOM 0 HH12 ARG A 112 -4.571 13.578 -13.893 1.00 31.42 H new ATOM 0 HH21 ARG A 112 -2.676 16.522 -13.540 1.00 72.31 H new ATOM 0 HH22 ARG A 112 -3.955 15.704 -14.444 1.00 72.31 H new ATOM 1632 N LEU A 113 0.721 15.811 -6.665 1.00 41.33 N ATOM 1633 CA LEU A 113 0.748 16.283 -5.303 1.00 72.51 C ATOM 1634 C LEU A 113 0.923 17.784 -5.303 1.00 52.15 C ATOM 1635 O LEU A 113 0.022 18.555 -4.959 1.00 73.55 O ATOM 1636 CB LEU A 113 1.924 15.568 -4.616 1.00 44.41 C ATOM 1637 CG LEU A 113 2.223 16.023 -3.184 1.00 63.51 C ATOM 1638 CD1 LEU A 113 1.319 15.279 -2.212 1.00 41.04 C ATOM 1639 CD2 LEU A 113 3.689 15.754 -2.860 1.00 42.34 C ATOM 0 H LEU A 113 1.317 14.992 -6.784 1.00 41.33 H new ATOM 0 HA LEU A 113 -0.177 16.067 -4.768 1.00 72.51 H new ATOM 0 HB2 LEU A 113 1.719 14.497 -4.604 1.00 44.41 H new ATOM 0 HB3 LEU A 113 2.819 15.714 -5.220 1.00 44.41 H new ATOM 0 HG LEU A 113 2.032 17.092 -3.091 1.00 63.51 H new ATOM 0 HD11 LEU A 113 1.533 15.604 -1.194 1.00 41.04 H new ATOM 0 HD12 LEU A 113 0.277 15.492 -2.449 1.00 41.04 H new ATOM 0 HD13 LEU A 113 1.499 14.207 -2.296 1.00 41.04 H new ATOM 0 HD21 LEU A 113 3.902 16.078 -1.841 1.00 42.34 H new ATOM 0 HD22 LEU A 113 3.892 14.687 -2.952 1.00 42.34 H new ATOM 0 HD23 LEU A 113 4.322 16.305 -3.555 1.00 42.34 H new ATOM 1650 N ARG A 114 2.120 18.222 -5.675 1.00 15.43 N ATOM 1651 CA ARG A 114 2.516 19.570 -5.471 1.00 14.21 C ATOM 1652 C ARG A 114 2.114 20.447 -6.637 1.00 22.13 C ATOM 1653 O ARG A 114 2.009 21.658 -6.479 1.00 54.02 O ATOM 1654 CB ARG A 114 4.006 19.602 -5.253 1.00 52.14 C ATOM 1655 CG ARG A 114 4.847 18.593 -6.031 1.00 24.53 C ATOM 1656 CD ARG A 114 5.971 19.318 -6.747 1.00 61.25 C ATOM 1657 NE ARG A 114 6.913 18.427 -7.435 1.00 33.11 N ATOM 1658 CZ ARG A 114 7.824 18.879 -8.310 1.00 64.53 C ATOM 1659 NH1 ARG A 114 7.887 20.173 -8.618 1.00 44.13 N ATOM 1660 NH2 ARG A 114 8.676 18.055 -8.904 1.00 43.32 N ATOM 0 H ARG A 114 2.826 17.638 -6.123 1.00 15.43 H new ATOM 0 HA ARG A 114 2.008 19.968 -4.592 1.00 14.21 H new ATOM 0 HB2 ARG A 114 4.362 20.602 -5.502 1.00 52.14 H new ATOM 0 HB3 ARG A 114 4.195 19.451 -4.190 1.00 52.14 H new ATOM 0 HG2 ARG A 114 5.257 17.845 -5.353 1.00 24.53 H new ATOM 0 HG3 ARG A 114 4.224 18.063 -6.752 1.00 24.53 H new ATOM 0 HD2 ARG A 114 5.540 20.006 -7.474 1.00 61.25 H new ATOM 0 HD3 ARG A 114 6.520 19.921 -6.023 1.00 61.25 H new ATOM 0 HE ARG A 114 6.873 17.426 -7.240 1.00 33.11 H new ATOM 0 HH11 ARG A 114 7.238 20.832 -8.187 1.00 44.13 H new ATOM 0 HH12 ARG A 114 8.584 20.505 -9.285 1.00 44.13 H new ATOM 0 HH21 ARG A 114 8.647 17.056 -8.699 1.00 43.32 H new ATOM 0 HH22 ARG A 114 9.361 18.420 -9.566 1.00 43.32 H new ATOM 1671 N ALA A 115 1.888 19.833 -7.794 1.00 23.14 N ATOM 1672 CA ALA A 115 1.212 20.410 -8.931 1.00 53.34 C ATOM 1673 C ALA A 115 -0.252 20.698 -8.616 1.00 40.43 C ATOM 1674 O ALA A 115 -0.912 21.327 -9.451 1.00 64.30 O ATOM 1675 CB ALA A 115 1.300 19.413 -10.080 1.00 20.53 C ATOM 0 H ALA A 115 2.189 18.873 -7.964 1.00 23.14 H new ATOM 0 HA ALA A 115 1.686 21.356 -9.194 1.00 53.34 H new ATOM 0 HB1 ALA A 115 0.797 19.822 -10.956 1.00 20.53 H new ATOM 0 HB2 ALA A 115 2.347 19.224 -10.318 1.00 20.53 H new ATOM 0 HB3 ALA A 115 0.820 18.479 -9.789 1.00 20.53 H new ATOM 1681 N ALA A 116 -0.773 20.276 -7.451 1.00 54.20 N ATOM 1682 CA ALA A 116 -1.996 20.838 -6.984 1.00 35.25 C ATOM 1683 C ALA A 116 -1.559 21.797 -5.887 1.00 21.41 C ATOM 1684 O ALA A 116 -1.131 22.904 -6.218 1.00 54.30 O ATOM 1685 CB ALA A 116 -2.901 19.674 -6.540 1.00 50.33 C ATOM 0 H ALA A 116 -0.359 19.565 -6.848 1.00 54.20 H new ATOM 0 HA ALA A 116 -2.591 21.392 -7.710 1.00 35.25 H new ATOM 0 HB1 ALA A 116 -3.849 20.069 -6.175 1.00 50.33 H new ATOM 0 HB2 ALA A 116 -3.085 19.013 -7.387 1.00 50.33 H new ATOM 0 HB3 ALA A 116 -2.410 19.115 -5.743 1.00 50.33 H new ATOM 1691 N LYS A 117 -1.472 21.302 -4.650 1.00 32.12 N ATOM 1692 CA LYS A 117 -1.525 22.033 -3.378 1.00 65.34 C ATOM 1693 C LYS A 117 -1.134 21.154 -2.185 1.00 24.34 C ATOM 1694 O LYS A 117 -1.233 21.587 -1.032 1.00 25.21 O ATOM 1695 CB LYS A 117 -2.970 22.544 -3.145 1.00 71.32 C ATOM 1696 CG LYS A 117 -3.354 23.638 -4.153 1.00 2.04 C ATOM 1697 CD LYS A 117 -4.320 23.283 -5.293 1.00 64.54 C ATOM 1698 CE LYS A 117 -5.783 23.171 -4.887 1.00 41.42 C ATOM 1699 NZ LYS A 117 -6.702 23.477 -6.005 1.00 25.14 N ATOM 0 H LYS A 117 -1.353 20.300 -4.498 1.00 32.12 H new ATOM 0 HA LYS A 117 -0.814 22.856 -3.447 1.00 65.34 H new ATOM 0 HB2 LYS A 117 -3.668 21.711 -3.228 1.00 71.32 H new ATOM 0 HB3 LYS A 117 -3.059 22.935 -2.132 1.00 71.32 H new ATOM 0 HG2 LYS A 117 -3.792 24.464 -3.593 1.00 2.04 H new ATOM 0 HG3 LYS A 117 -2.434 24.011 -4.603 1.00 2.04 H new ATOM 0 HD2 LYS A 117 -4.232 24.040 -6.072 1.00 64.54 H new ATOM 0 HD3 LYS A 117 -4.007 22.336 -5.732 1.00 64.54 H new ATOM 0 HE2 LYS A 117 -5.980 22.163 -4.523 1.00 41.42 H new ATOM 0 HE3 LYS A 117 -5.981 23.853 -4.060 1.00 41.42 H new ATOM 0 HZ1 LYS A 117 -7.686 23.387 -5.680 1.00 25.14 H new ATOM 0 HZ2 LYS A 117 -6.534 24.448 -6.337 1.00 25.14 H new ATOM 0 HZ3 LYS A 117 -6.533 22.811 -6.785 1.00 25.14 H new ATOM 1709 N ALA A 118 -0.784 19.897 -2.422 1.00 32.33 N ATOM 1710 CA ALA A 118 -0.704 18.908 -1.360 1.00 22.11 C ATOM 1711 C ALA A 118 0.679 18.888 -0.721 1.00 63.24 C ATOM 1712 O ALA A 118 1.693 19.019 -1.408 1.00 41.23 O ATOM 1713 CB ALA A 118 -1.065 17.544 -1.922 1.00 65.25 C ATOM 0 H ALA A 118 -0.550 19.538 -3.348 1.00 32.33 H new ATOM 0 HA ALA A 118 -1.412 19.174 -0.575 1.00 22.11 H new ATOM 0 HB1 ALA A 118 -1.007 16.797 -1.130 1.00 65.25 H new ATOM 0 HB2 ALA A 118 -2.079 17.572 -2.321 1.00 65.25 H new ATOM 0 HB3 ALA A 118 -0.369 17.283 -2.719 1.00 65.25 H new ATOM 1719 N SER A 119 0.703 18.694 0.598 1.00 65.25 N ATOM 1720 CA SER A 119 1.916 18.769 1.390 1.00 64.13 C ATOM 1721 C SER A 119 2.799 17.526 1.243 1.00 13.20 C ATOM 1722 O SER A 119 2.305 16.402 1.103 1.00 72.21 O ATOM 1723 CB SER A 119 1.539 18.962 2.856 1.00 61.15 C ATOM 1724 OG SER A 119 0.665 20.070 3.050 1.00 72.31 O ATOM 0 H SER A 119 -0.130 18.479 1.145 1.00 65.25 H new ATOM 0 HA SER A 119 2.498 19.615 1.024 1.00 64.13 H new ATOM 0 HB2 SER A 119 1.061 18.056 3.228 1.00 61.15 H new ATOM 0 HB3 SER A 119 2.444 19.109 3.445 1.00 61.15 H new ATOM 0 HG SER A 119 0.450 20.154 4.002 1.00 72.31 H new ATOM 1729 N ARG A 120 4.118 17.724 1.343 1.00 73.41 N ATOM 1730 CA ARG A 120 5.143 16.719 1.080 1.00 14.02 C ATOM 1731 C ARG A 120 5.795 16.382 2.434 1.00 73.22 C ATOM 1732 O ARG A 120 6.984 16.620 2.660 1.00 4.10 O ATOM 1733 CB ARG A 120 6.137 17.195 -0.023 1.00 71.54 C ATOM 1734 CG ARG A 120 5.603 18.248 -1.024 1.00 62.33 C ATOM 1735 CD ARG A 120 6.597 18.552 -2.156 1.00 1.22 C ATOM 1736 NE ARG A 120 7.775 19.300 -1.680 1.00 0.20 N ATOM 1737 CZ ARG A 120 9.006 19.267 -2.206 1.00 44.04 C ATOM 1738 NH1 ARG A 120 9.250 18.628 -3.349 1.00 75.14 N ATOM 1739 NH2 ARG A 120 10.004 19.854 -1.556 1.00 55.25 N ATOM 0 H ARG A 120 4.511 18.624 1.620 1.00 73.41 H new ATOM 0 HA ARG A 120 4.720 15.804 0.665 1.00 14.02 H new ATOM 0 HB2 ARG A 120 7.019 17.606 0.467 1.00 71.54 H new ATOM 0 HB3 ARG A 120 6.464 16.322 -0.588 1.00 71.54 H new ATOM 0 HG2 ARG A 120 4.667 17.891 -1.454 1.00 62.33 H new ATOM 0 HG3 ARG A 120 5.377 19.170 -0.488 1.00 62.33 H new ATOM 0 HD2 ARG A 120 6.923 17.617 -2.611 1.00 1.22 H new ATOM 0 HD3 ARG A 120 6.094 19.127 -2.934 1.00 1.22 H new ATOM 0 HE ARG A 120 7.639 19.903 -0.869 1.00 0.20 H new ATOM 0 HH11 ARG A 120 8.492 18.153 -3.839 1.00 75.14 H new ATOM 0 HH12 ARG A 120 10.194 18.614 -3.734 1.00 75.14 H new ATOM 0 HH21 ARG A 120 9.828 20.323 -0.667 1.00 55.25 H new ATOM 0 HH22 ARG A 120 10.947 19.836 -1.945 1.00 55.25 H new ATOM 1750 N GLU A 121 4.984 15.863 3.363 1.00 73.23 N ATOM 1751 CA GLU A 121 5.401 15.265 4.641 1.00 43.23 C ATOM 1752 C GLU A 121 6.501 14.207 4.403 1.00 62.31 C ATOM 1753 O GLU A 121 6.709 13.773 3.268 1.00 24.51 O ATOM 1754 CB GLU A 121 4.180 14.639 5.353 1.00 5.01 C ATOM 1755 CG GLU A 121 2.947 15.526 5.577 1.00 30.24 C ATOM 1756 CD GLU A 121 3.246 16.926 6.149 1.00 34.53 C ATOM 1757 OE1 GLU A 121 3.819 17.000 7.259 1.00 65.22 O ATOM 1758 OE2 GLU A 121 2.875 17.965 5.557 1.00 4.14 O ATOM 0 H GLU A 121 3.972 15.847 3.241 1.00 73.23 H new ATOM 0 HA GLU A 121 5.813 16.044 5.282 1.00 43.23 H new ATOM 0 HB2 GLU A 121 3.866 13.769 4.776 1.00 5.01 H new ATOM 0 HB3 GLU A 121 4.511 14.274 6.325 1.00 5.01 H new ATOM 0 HG2 GLU A 121 2.424 15.642 4.627 1.00 30.24 H new ATOM 0 HG3 GLU A 121 2.266 15.011 6.255 1.00 30.24 H new ATOM 1763 N PRO A 122 7.257 13.787 5.422 1.00 70.52 N ATOM 1764 CA PRO A 122 8.357 12.855 5.217 1.00 2.12 C ATOM 1765 C PRO A 122 7.818 11.445 4.979 1.00 32.43 C ATOM 1766 O PRO A 122 6.820 11.062 5.579 1.00 61.14 O ATOM 1767 CB PRO A 122 9.212 12.970 6.483 1.00 2.14 C ATOM 1768 CG PRO A 122 8.223 13.431 7.552 1.00 11.41 C ATOM 1769 CD PRO A 122 7.220 14.273 6.782 1.00 2.23 C ATOM 0 HA PRO A 122 8.955 13.081 4.334 1.00 2.12 H new ATOM 0 HB2 PRO A 122 9.668 12.015 6.745 1.00 2.14 H new ATOM 0 HB3 PRO A 122 10.023 13.686 6.354 1.00 2.14 H new ATOM 0 HG2 PRO A 122 7.742 12.585 8.042 1.00 11.41 H new ATOM 0 HG3 PRO A 122 8.718 14.011 8.331 1.00 11.41 H new ATOM 0 HD2 PRO A 122 6.220 14.174 7.205 1.00 2.23 H new ATOM 0 HD3 PRO A 122 7.482 15.330 6.826 1.00 2.23 H new ATOM 1774 N LEU A 123 8.465 10.680 4.095 1.00 21.13 N ATOM 1775 CA LEU A 123 8.133 9.287 3.802 1.00 53.32 C ATOM 1776 C LEU A 123 9.307 8.435 3.318 1.00 42.03 C ATOM 1777 O LEU A 123 9.141 7.244 3.071 1.00 12.33 O ATOM 1778 CB LEU A 123 6.886 9.172 2.901 1.00 24.54 C ATOM 1779 CG LEU A 123 7.011 9.493 1.400 1.00 71.32 C ATOM 1780 CD1 LEU A 123 7.951 10.672 1.178 1.00 44.45 C ATOM 1781 CD2 LEU A 123 7.490 8.290 0.580 1.00 1.04 C ATOM 0 H LEU A 123 9.255 11.024 3.550 1.00 21.13 H new ATOM 0 HA LEU A 123 7.876 8.845 4.765 1.00 53.32 H new ATOM 0 HB2 LEU A 123 6.511 8.152 2.988 1.00 24.54 H new ATOM 0 HB3 LEU A 123 6.121 9.829 3.314 1.00 24.54 H new ATOM 0 HG LEU A 123 6.011 9.752 1.053 1.00 71.32 H new ATOM 0 HD11 LEU A 123 8.025 10.882 0.111 1.00 44.45 H new ATOM 0 HD12 LEU A 123 7.562 11.550 1.695 1.00 44.45 H new ATOM 0 HD13 LEU A 123 8.939 10.429 1.569 1.00 44.45 H new ATOM 0 HD21 LEU A 123 7.561 8.571 -0.471 1.00 1.04 H new ATOM 0 HD22 LEU A 123 8.470 7.973 0.938 1.00 1.04 H new ATOM 0 HD23 LEU A 123 6.781 7.470 0.689 1.00 1.04 H new ATOM 1792 N ILE A 124 10.488 9.035 3.175 1.00 12.03 N ATOM 1793 CA ILE A 124 11.671 8.415 2.592 1.00 43.01 C ATOM 1794 C ILE A 124 12.090 7.248 3.494 1.00 52.12 C ATOM 1795 O ILE A 124 11.879 7.313 4.709 1.00 24.50 O ATOM 1796 CB ILE A 124 12.816 9.449 2.443 1.00 52.25 C ATOM 1797 CG1 ILE A 124 12.412 10.821 1.847 1.00 22.20 C ATOM 1798 CG2 ILE A 124 13.915 8.871 1.530 1.00 12.00 C ATOM 1799 CD1 ILE A 124 11.819 11.805 2.865 1.00 51.35 C ATOM 0 H ILE A 124 10.650 9.997 3.472 1.00 12.03 H new ATOM 0 HA ILE A 124 11.447 8.044 1.592 1.00 43.01 H new ATOM 0 HB ILE A 124 13.148 9.631 3.465 1.00 52.25 H new ATOM 0 HG12 ILE A 124 13.289 11.277 1.388 1.00 22.20 H new ATOM 0 HG13 ILE A 124 11.685 10.658 1.052 1.00 22.20 H new ATOM 0 HG21 ILE A 124 14.720 9.598 1.425 1.00 12.00 H new ATOM 0 HG22 ILE A 124 14.308 7.954 1.970 1.00 12.00 H new ATOM 0 HG23 ILE A 124 13.494 8.651 0.549 1.00 12.00 H new ATOM 0 HD11 ILE A 124 11.564 12.738 2.363 1.00 51.35 H new ATOM 0 HD12 ILE A 124 10.921 11.374 3.307 1.00 51.35 H new ATOM 0 HD13 ILE A 124 12.550 12.002 3.649 1.00 51.35 H new ATOM 1810 N ASP A 125 12.716 6.217 2.928 1.00 1.01 N ATOM 1811 CA ASP A 125 13.321 5.112 3.674 1.00 11.34 C ATOM 1812 C ASP A 125 14.791 4.995 3.310 1.00 53.41 C ATOM 1813 O ASP A 125 15.235 5.508 2.281 1.00 54.05 O ATOM 1814 CB ASP A 125 12.597 3.789 3.410 1.00 21.54 C ATOM 1815 CG ASP A 125 13.158 2.614 4.242 1.00 62.43 C ATOM 1816 OD1 ASP A 125 13.511 2.806 5.433 1.00 60.21 O ATOM 1817 OD2 ASP A 125 13.363 1.518 3.679 1.00 71.42 O ATOM 0 H ASP A 125 12.819 6.124 1.918 1.00 1.01 H new ATOM 0 HA ASP A 125 13.227 5.327 4.738 1.00 11.34 H new ATOM 0 HB2 ASP A 125 11.537 3.911 3.633 1.00 21.54 H new ATOM 0 HB3 ASP A 125 12.673 3.545 2.350 1.00 21.54 H new ATOM 1821 N MET A 126 15.546 4.312 4.163 1.00 31.14 N ATOM 1822 CA MET A 126 16.979 4.146 4.039 1.00 0.23 C ATOM 1823 C MET A 126 17.357 2.806 3.395 1.00 1.42 C ATOM 1824 O MET A 126 18.544 2.495 3.351 1.00 54.15 O ATOM 1825 CB MET A 126 17.649 4.347 5.413 1.00 21.24 C ATOM 1826 CG MET A 126 18.850 5.304 5.321 1.00 73.34 C ATOM 1827 SD MET A 126 18.575 6.966 6.013 1.00 0.44 S ATOM 1828 CE MET A 126 17.131 7.559 5.087 1.00 20.22 C ATOM 0 H MET A 126 15.160 3.846 4.984 1.00 31.14 H new ATOM 0 HA MET A 126 17.355 4.912 3.360 1.00 0.23 H new ATOM 0 HB2 MET A 126 16.920 4.744 6.120 1.00 21.24 H new ATOM 0 HB3 MET A 126 17.979 3.384 5.802 1.00 21.24 H new ATOM 0 HG2 MET A 126 19.696 4.849 5.836 1.00 73.34 H new ATOM 0 HG3 MET A 126 19.132 5.407 4.273 1.00 73.34 H new ATOM 0 HE1 MET A 126 16.871 8.563 5.423 1.00 20.22 H new ATOM 0 HE2 MET A 126 17.365 7.582 4.023 1.00 20.22 H new ATOM 0 HE3 MET A 126 16.288 6.889 5.259 1.00 20.22 H new ATOM 1836 N ALA A 127 16.408 1.989 2.915 1.00 3.11 N ATOM 1837 CA ALA A 127 16.671 0.697 2.304 1.00 51.34 C ATOM 1838 C ALA A 127 15.894 0.543 0.993 1.00 72.43 C ATOM 1839 O ALA A 127 14.825 -0.072 0.959 1.00 0.22 O ATOM 1840 CB ALA A 127 16.382 -0.428 3.303 1.00 32.53 C ATOM 0 H ALA A 127 15.416 2.223 2.946 1.00 3.11 H new ATOM 0 HA ALA A 127 17.727 0.632 2.043 1.00 51.34 H new ATOM 0 HB1 ALA A 127 16.583 -1.391 2.834 1.00 32.53 H new ATOM 0 HB2 ALA A 127 17.021 -0.310 4.178 1.00 32.53 H new ATOM 0 HB3 ALA A 127 15.337 -0.384 3.608 1.00 32.53 H new ATOM 1846 N VAL A 128 16.457 1.056 -0.103 1.00 24.53 N ATOM 1847 CA VAL A 128 15.980 0.823 -1.466 1.00 20.51 C ATOM 1848 C VAL A 128 17.156 0.271 -2.276 1.00 12.24 C ATOM 1849 O VAL A 128 18.299 0.687 -2.058 1.00 0.24 O ATOM 1850 CB VAL A 128 15.414 2.125 -2.078 1.00 74.15 C ATOM 1851 CG1 VAL A 128 14.657 1.864 -3.384 1.00 73.45 C ATOM 1852 CG2 VAL A 128 14.469 2.877 -1.123 1.00 0.21 C ATOM 0 H VAL A 128 17.278 1.660 -0.065 1.00 24.53 H new ATOM 0 HA VAL A 128 15.162 0.103 -1.474 1.00 20.51 H new ATOM 0 HB VAL A 128 16.290 2.744 -2.271 1.00 74.15 H new ATOM 0 HG11 VAL A 128 14.277 2.806 -3.779 1.00 73.45 H new ATOM 0 HG12 VAL A 128 15.331 1.412 -4.111 1.00 73.45 H new ATOM 0 HG13 VAL A 128 13.824 1.188 -3.193 1.00 73.45 H new ATOM 0 HG21 VAL A 128 14.105 3.782 -1.609 1.00 0.21 H new ATOM 0 HG22 VAL A 128 13.624 2.237 -0.868 1.00 0.21 H new ATOM 0 HG23 VAL A 128 15.008 3.146 -0.214 1.00 0.21 H new ATOM 1862 N LYS A 129 16.900 -0.641 -3.215 1.00 55.23 N ATOM 1863 CA LYS A 129 17.907 -1.253 -4.082 1.00 31.41 C ATOM 1864 C LYS A 129 17.473 -1.067 -5.525 1.00 40.12 C ATOM 1865 O LYS A 129 16.563 -1.747 -5.987 1.00 34.33 O ATOM 1866 CB LYS A 129 18.178 -2.718 -3.692 1.00 72.33 C ATOM 1867 CG LYS A 129 16.945 -3.630 -3.598 1.00 32.33 C ATOM 1868 CD LYS A 129 17.215 -4.972 -2.915 1.00 23.22 C ATOM 1869 CE LYS A 129 15.848 -5.644 -2.753 1.00 55.11 C ATOM 1870 NZ LYS A 129 15.930 -7.028 -2.254 1.00 71.14 N ATOM 0 H LYS A 129 15.957 -0.984 -3.398 1.00 55.23 H new ATOM 0 HA LYS A 129 18.870 -0.758 -3.956 1.00 31.41 H new ATOM 0 HB2 LYS A 129 18.867 -3.146 -4.421 1.00 72.33 H new ATOM 0 HB3 LYS A 129 18.687 -2.728 -2.728 1.00 72.33 H new ATOM 0 HG2 LYS A 129 16.160 -3.107 -3.052 1.00 32.33 H new ATOM 0 HG3 LYS A 129 16.565 -3.815 -4.603 1.00 32.33 H new ATOM 0 HD2 LYS A 129 17.884 -5.588 -3.516 1.00 23.22 H new ATOM 0 HD3 LYS A 129 17.696 -4.828 -1.948 1.00 23.22 H new ATOM 0 HE2 LYS A 129 15.241 -5.054 -2.067 1.00 55.11 H new ATOM 0 HE3 LYS A 129 15.335 -5.642 -3.715 1.00 55.11 H new ATOM 0 HZ1 LYS A 129 14.972 -7.423 -2.168 1.00 71.14 H new ATOM 0 HZ2 LYS A 129 16.484 -7.605 -2.919 1.00 71.14 H new ATOM 0 HZ3 LYS A 129 16.392 -7.034 -1.322 1.00 71.14 H new ATOM 1880 N TYR A 130 18.063 -0.093 -6.211 1.00 52.43 N ATOM 1881 CA TYR A 130 17.859 0.073 -7.639 1.00 42.45 C ATOM 1882 C TYR A 130 18.840 -0.833 -8.373 1.00 71.15 C ATOM 1883 O TYR A 130 20.047 -0.569 -8.390 1.00 12.22 O ATOM 1884 CB TYR A 130 18.049 1.530 -8.058 1.00 60.21 C ATOM 1885 CG TYR A 130 16.870 2.440 -7.779 1.00 42.35 C ATOM 1886 CD1 TYR A 130 16.724 3.039 -6.515 1.00 51.42 C ATOM 1887 CD2 TYR A 130 15.918 2.690 -8.787 1.00 60.32 C ATOM 1888 CE1 TYR A 130 15.638 3.889 -6.259 1.00 31.50 C ATOM 1889 CE2 TYR A 130 14.823 3.538 -8.540 1.00 63.54 C ATOM 1890 CZ TYR A 130 14.686 4.142 -7.270 1.00 73.13 C ATOM 1891 OH TYR A 130 13.661 4.996 -7.013 1.00 4.30 O ATOM 0 H TYR A 130 18.690 0.596 -5.794 1.00 52.43 H new ATOM 0 HA TYR A 130 16.836 -0.203 -7.895 1.00 42.45 H new ATOM 0 HB2 TYR A 130 18.924 1.928 -7.544 1.00 60.21 H new ATOM 0 HB3 TYR A 130 18.265 1.559 -9.126 1.00 60.21 H new ATOM 0 HD1 TYR A 130 17.450 2.844 -5.739 1.00 51.42 H new ATOM 0 HD2 TYR A 130 16.030 2.227 -9.756 1.00 60.32 H new ATOM 0 HE1 TYR A 130 15.530 4.350 -5.288 1.00 31.50 H new ATOM 0 HE2 TYR A 130 14.094 3.726 -9.314 1.00 63.54 H new ATOM 0 HH TYR A 130 13.090 5.069 -7.806 1.00 4.30 H new ATOM 1900 N HIS A 131 18.322 -1.883 -8.998 1.00 41.14 N ATOM 1901 CA HIS A 131 19.018 -2.706 -9.976 1.00 52.23 C ATOM 1902 C HIS A 131 18.009 -3.186 -11.020 1.00 24.23 C ATOM 1903 O HIS A 131 16.819 -2.886 -10.899 1.00 1.43 O ATOM 1904 CB HIS A 131 19.725 -3.875 -9.272 1.00 15.10 C ATOM 1905 CG HIS A 131 18.839 -4.702 -8.368 1.00 52.31 C ATOM 1906 ND1 HIS A 131 17.711 -5.415 -8.722 1.00 40.12 N ATOM 1907 CD2 HIS A 131 19.017 -4.857 -7.020 1.00 15.31 C ATOM 1908 CE1 HIS A 131 17.217 -5.967 -7.601 1.00 75.42 C ATOM 1909 NE2 HIS A 131 18.006 -5.698 -6.546 1.00 51.44 N ATOM 0 H HIS A 131 17.366 -2.196 -8.829 1.00 41.14 H new ATOM 0 HA HIS A 131 19.789 -2.127 -10.485 1.00 52.23 H new ATOM 0 HB2 HIS A 131 20.158 -4.528 -10.030 1.00 15.10 H new ATOM 0 HB3 HIS A 131 20.552 -3.479 -8.683 1.00 15.10 H new ATOM 0 HD2 HIS A 131 19.800 -4.409 -6.427 1.00 15.31 H new ATOM 0 HE1 HIS A 131 16.308 -6.549 -7.554 1.00 75.42 H new ATOM 0 HE2 HIS A 131 17.890 -6.039 -5.592 1.00 51.44 H new ATOM 1916 N THR A 132 18.489 -3.971 -11.992 1.00 43.31 N ATOM 1917 CA THR A 132 17.711 -4.611 -13.048 1.00 15.40 C ATOM 1918 C THR A 132 16.786 -3.594 -13.717 1.00 53.35 C ATOM 1919 O THR A 132 17.349 -2.721 -14.417 1.00 72.44 O ATOM 1920 CB THR A 132 17.094 -5.929 -12.543 1.00 51.42 C ATOM 1921 OG1 THR A 132 16.395 -5.753 -11.329 1.00 24.34 O ATOM 1922 CG2 THR A 132 18.185 -6.973 -12.249 1.00 4.21 C ATOM 0 H THR A 132 19.484 -4.185 -12.063 1.00 43.31 H new ATOM 0 HA THR A 132 18.344 -4.943 -13.871 1.00 15.40 H new ATOM 0 HB THR A 132 16.421 -6.259 -13.335 1.00 51.42 H new ATOM 0 HG1 THR A 132 17.036 -5.663 -10.593 1.00 24.34 H new ATOM 0 HG21 THR A 132 17.722 -7.894 -11.894 1.00 4.21 H new ATOM 0 HG22 THR A 132 18.748 -7.178 -13.160 1.00 4.21 H new ATOM 0 HG23 THR A 132 18.860 -6.588 -11.484 1.00 4.21 H new TER 1930 THR A 132