USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 997 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 17 MET CE :methyl -174:sc= -1.9! (180deg=-1.82!) USER MOD Set 1.2: A 101 TYR OH : rot 30:sc=-0.000161 USER MOD Set 1.3: A 113 HIS : no HD1:sc= -0.0765 K(o=-2,f=-3.8) USER MOD Set 2.1: A 15 LYS NZ :NH3+ -139:sc= 0.719 (180deg=0) USER MOD Set 2.2: A 106 SER OG : rot 125:sc= 0.644 USER MOD Set 3.1: A 25 THR OG1 : rot 161:sc= 0.582 USER MOD Set 3.2: A 98 MET CE :methyl -111:sc= -0.226 (180deg=-0.588) USER MOD Set 3.3: A 112 ASN :FLIP amide:sc= 0.543 F(o=-0.87,f=0.9) USER MOD Set 4.1: A 37 TYR OH : rot 157:sc= 1.25 USER MOD Set 4.2: A 49 HIS : no HD1:sc=-0.00592 K(o=-0.61,f=-1.8) USER MOD Set 4.3: A 77 HIS : no HD1:sc= 0.349 K(o=-0.61,f=-2.9!) USER MOD Set 4.4: A 78 MET CE :methyl -168:sc= -1.86 (180deg=-2.04!) USER MOD Set 4.5: A 81 MET CE :methyl -177:sc= -0.34 (180deg=-0.411) USER MOD Set 5.1: A 40 THR OG1 : rot -65:sc= 0.13 USER MOD Set 5.2: A 41 ASN :FLIP amide:sc= -0.486 F(o=-2.9!,f=-0.36) USER MOD Set 6.1: A 1 MET N :NH3+ -149:sc= 0.662 (180deg=-0.0628) USER MOD Set 6.2: A 97 TYR OH : rot 180:sc= 0.586 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= -0.0101 (180deg=-0.137) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 6 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.16) USER MOD Single : A 10 ASN : amide:sc= 0.288 K(o=0.29,f=-0.45) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 38:sc= 0.168 USER MOD Single : A 13 HIS : no HD1:sc= -0.0852 K(o=-0.085,f=-1.1) USER MOD Single : A 14 MET CE :methyl 163:sc= -0.146 (180deg=-0.526) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 78:sc= 0.00109 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.19 USER MOD Single : A 36 SER OG : rot -56:sc= -0.72 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HE2:sc= 0.246 K(o=0.25,f=-0.96) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.389 K(o=0.39,f=-0.37) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 76 SER OG : rot 180:sc= -0.696 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= -0.0161 (180deg=-0.158) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc=-0.00836 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -65:sc= 0.192 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -72:sc= -0.911! USER MOD Single : A 104 THR OG1 : rot -140:sc= 0.309 USER MOD Single : A 105 THR OG1 : rot -39:sc= 0.279 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= -0.0161 (180deg=-0.153) USER MOD Single : A 114 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0376) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-3.7!) USER MOD Single : A 128 HIS : no HD1:sc= 0.0198 X(o=0.02,f=-0.47) USER MOD Single : A 129 HIS : no HE2:sc=-0.00177 X(o=-0.0018,f=-0.49) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0.203 K(o=0.2,f=-1) USER MOD Single : A 132 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.173 15.361 -2.512 1.00 32.44 N ATOM 2 CA MET A 1 -4.969 15.390 -3.992 1.00 20.23 C ATOM 3 C MET A 1 -6.296 15.055 -4.725 1.00 15.21 C ATOM 4 O MET A 1 -7.053 14.188 -4.275 1.00 24.23 O ATOM 5 CB MET A 1 -3.857 14.389 -4.415 1.00 74.02 C ATOM 6 CG MET A 1 -2.514 14.540 -3.679 1.00 10.23 C ATOM 7 SD MET A 1 -1.770 16.174 -3.897 1.00 5.32 S ATOM 8 CE MET A 1 -0.238 16.006 -2.970 1.00 23.24 C ATOM 0 H1 MET A 1 -4.532 16.044 -2.060 1.00 32.44 H new ATOM 0 H2 MET A 1 -6.158 15.612 -2.292 1.00 32.44 H new ATOM 0 H3 MET A 1 -4.971 14.406 -2.152 1.00 32.44 H new ATOM 0 HA MET A 1 -4.653 16.395 -4.273 1.00 20.23 H new ATOM 0 HB2 MET A 1 -4.226 13.375 -4.257 1.00 74.02 H new ATOM 0 HB3 MET A 1 -3.680 14.501 -5.485 1.00 74.02 H new ATOM 0 HG2 MET A 1 -2.666 14.355 -2.616 1.00 10.23 H new ATOM 0 HG3 MET A 1 -1.821 13.780 -4.039 1.00 10.23 H new ATOM 0 HE1 MET A 1 0.321 16.940 -3.019 1.00 23.24 H new ATOM 0 HE2 MET A 1 -0.466 15.774 -1.930 1.00 23.24 H new ATOM 0 HE3 MET A 1 0.360 15.202 -3.399 1.00 23.24 H new ATOM 20 N LYS A 2 -6.560 15.743 -5.852 1.00 61.04 N ATOM 21 CA LYS A 2 -7.794 15.555 -6.655 1.00 52.23 C ATOM 22 C LYS A 2 -7.638 14.403 -7.682 1.00 64.13 C ATOM 23 O LYS A 2 -6.557 14.203 -8.244 1.00 72.42 O ATOM 24 CB LYS A 2 -8.151 16.885 -7.387 1.00 74.31 C ATOM 25 CG LYS A 2 -9.374 16.807 -8.338 1.00 32.40 C ATOM 26 CD LYS A 2 -9.750 18.168 -8.979 1.00 4.31 C ATOM 27 CE LYS A 2 -10.320 19.175 -7.961 1.00 50.10 C ATOM 28 NZ LYS A 2 -11.594 18.700 -7.356 1.00 23.12 N ATOM 0 H LYS A 2 -5.927 16.445 -6.235 1.00 61.04 H new ATOM 0 HA LYS A 2 -8.602 15.283 -5.976 1.00 52.23 H new ATOM 0 HB2 LYS A 2 -8.342 17.654 -6.638 1.00 74.31 H new ATOM 0 HB3 LYS A 2 -7.284 17.209 -7.962 1.00 74.31 H new ATOM 0 HG2 LYS A 2 -9.163 16.088 -9.130 1.00 32.40 H new ATOM 0 HG3 LYS A 2 -10.232 16.427 -7.783 1.00 32.40 H new ATOM 0 HD2 LYS A 2 -8.867 18.598 -9.451 1.00 4.31 H new ATOM 0 HD3 LYS A 2 -10.484 18.002 -9.768 1.00 4.31 H new ATOM 0 HE2 LYS A 2 -9.587 19.347 -7.173 1.00 50.10 H new ATOM 0 HE3 LYS A 2 -10.488 20.132 -8.454 1.00 50.10 H new ATOM 0 HZ1 LYS A 2 -12.045 19.481 -6.839 1.00 23.12 H new ATOM 0 HZ2 LYS A 2 -12.232 18.368 -8.107 1.00 23.12 H new ATOM 0 HZ3 LYS A 2 -11.396 17.919 -6.699 1.00 23.12 H new ATOM 42 N VAL A 3 -8.727 13.638 -7.901 1.00 24.23 N ATOM 43 CA VAL A 3 -8.800 12.640 -8.991 1.00 52.54 C ATOM 44 C VAL A 3 -8.779 13.353 -10.376 1.00 71.53 C ATOM 45 O VAL A 3 -9.585 14.252 -10.639 1.00 33.12 O ATOM 46 CB VAL A 3 -10.081 11.732 -8.850 1.00 15.34 C ATOM 47 CG1 VAL A 3 -10.150 10.659 -9.969 1.00 63.45 C ATOM 48 CG2 VAL A 3 -10.137 11.071 -7.446 1.00 22.12 C ATOM 0 H VAL A 3 -9.573 13.692 -7.334 1.00 24.23 H new ATOM 0 HA VAL A 3 -7.927 11.992 -8.918 1.00 52.54 H new ATOM 0 HB VAL A 3 -10.953 12.377 -8.962 1.00 15.34 H new ATOM 0 HG11 VAL A 3 -11.047 10.053 -9.837 1.00 63.45 H new ATOM 0 HG12 VAL A 3 -10.183 11.149 -10.942 1.00 63.45 H new ATOM 0 HG13 VAL A 3 -9.269 10.020 -9.915 1.00 63.45 H new ATOM 0 HG21 VAL A 3 -11.029 10.449 -7.372 1.00 22.12 H new ATOM 0 HG22 VAL A 3 -9.251 10.453 -7.299 1.00 22.12 H new ATOM 0 HG23 VAL A 3 -10.170 11.846 -6.680 1.00 22.12 H new ATOM 58 N GLY A 4 -7.848 12.933 -11.245 1.00 53.34 N ATOM 59 CA GLY A 4 -7.574 13.614 -12.522 1.00 41.53 C ATOM 60 C GLY A 4 -6.355 14.546 -12.460 1.00 4.11 C ATOM 61 O GLY A 4 -5.867 15.003 -13.503 1.00 54.00 O ATOM 0 H GLY A 4 -7.264 12.113 -11.084 1.00 53.34 H new ATOM 0 HA2 GLY A 4 -7.412 12.866 -13.298 1.00 41.53 H new ATOM 0 HA3 GLY A 4 -8.451 14.192 -12.814 1.00 41.53 H new ATOM 65 N SER A 5 -5.859 14.832 -11.236 1.00 34.11 N ATOM 66 CA SER A 5 -4.665 15.687 -11.021 1.00 14.12 C ATOM 67 C SER A 5 -3.371 14.847 -11.045 1.00 42.55 C ATOM 68 O SER A 5 -3.406 13.623 -10.864 1.00 41.41 O ATOM 69 CB SER A 5 -4.771 16.454 -9.681 1.00 24.24 C ATOM 70 OG SER A 5 -3.676 17.341 -9.498 1.00 15.32 O ATOM 0 H SER A 5 -6.271 14.480 -10.372 1.00 34.11 H new ATOM 0 HA SER A 5 -4.625 16.409 -11.836 1.00 14.12 H new ATOM 0 HB2 SER A 5 -5.704 17.017 -9.656 1.00 24.24 H new ATOM 0 HB3 SER A 5 -4.806 15.743 -8.856 1.00 24.24 H new ATOM 0 HG SER A 5 -3.775 17.811 -8.644 1.00 15.32 H new ATOM 76 N GLN A 6 -2.228 15.521 -11.257 1.00 12.51 N ATOM 77 CA GLN A 6 -0.910 14.860 -11.376 1.00 55.41 C ATOM 78 C GLN A 6 0.085 15.397 -10.314 1.00 40.50 C ATOM 79 O GLN A 6 0.150 16.601 -10.054 1.00 53.43 O ATOM 80 CB GLN A 6 -0.370 15.051 -12.821 1.00 43.51 C ATOM 81 CG GLN A 6 0.840 14.170 -13.184 1.00 13.23 C ATOM 82 CD GLN A 6 1.186 14.177 -14.678 1.00 13.10 C ATOM 83 OE1 GLN A 6 0.973 15.159 -15.386 1.00 33.44 O ATOM 84 NE2 GLN A 6 1.738 13.082 -15.165 1.00 33.43 N ATOM 0 H GLN A 6 -2.188 16.536 -11.351 1.00 12.51 H new ATOM 0 HA GLN A 6 -1.024 13.793 -11.184 1.00 55.41 H new ATOM 0 HB2 GLN A 6 -1.176 14.843 -13.525 1.00 43.51 H new ATOM 0 HB3 GLN A 6 -0.092 16.097 -12.954 1.00 43.51 H new ATOM 0 HG2 GLN A 6 1.708 14.510 -12.618 1.00 13.23 H new ATOM 0 HG3 GLN A 6 0.638 13.145 -12.872 1.00 13.23 H new ATOM 0 HE21 GLN A 6 1.904 12.281 -14.556 1.00 33.43 H new ATOM 0 HE22 GLN A 6 1.999 13.037 -16.150 1.00 33.43 H new ATOM 93 N VAL A 7 0.866 14.471 -9.723 1.00 13.24 N ATOM 94 CA VAL A 7 1.815 14.741 -8.611 1.00 62.51 C ATOM 95 C VAL A 7 3.180 14.042 -8.858 1.00 51.52 C ATOM 96 O VAL A 7 3.333 13.255 -9.787 1.00 1.34 O ATOM 97 CB VAL A 7 1.234 14.269 -7.212 1.00 73.33 C ATOM 98 CG1 VAL A 7 -0.034 15.069 -6.821 1.00 11.14 C ATOM 99 CG2 VAL A 7 0.956 12.738 -7.198 1.00 3.41 C ATOM 0 H VAL A 7 0.859 13.492 -10.008 1.00 13.24 H new ATOM 0 HA VAL A 7 1.961 15.821 -8.582 1.00 62.51 H new ATOM 0 HB VAL A 7 1.997 14.475 -6.461 1.00 73.33 H new ATOM 0 HG11 VAL A 7 -0.403 14.718 -5.857 1.00 11.14 H new ATOM 0 HG12 VAL A 7 0.212 16.129 -6.751 1.00 11.14 H new ATOM 0 HG13 VAL A 7 -0.804 14.924 -7.579 1.00 11.14 H new ATOM 0 HG21 VAL A 7 0.559 12.449 -6.225 1.00 3.41 H new ATOM 0 HG22 VAL A 7 0.230 12.493 -7.973 1.00 3.41 H new ATOM 0 HG23 VAL A 7 1.884 12.198 -7.386 1.00 3.41 H new ATOM 109 N ILE A 8 4.173 14.368 -8.020 1.00 22.24 N ATOM 110 CA ILE A 8 5.486 13.682 -7.980 1.00 24.01 C ATOM 111 C ILE A 8 5.560 12.759 -6.733 1.00 34.15 C ATOM 112 O ILE A 8 5.036 13.106 -5.669 1.00 52.24 O ATOM 113 CB ILE A 8 6.668 14.733 -7.934 1.00 13.25 C ATOM 114 CG1 ILE A 8 6.541 15.782 -9.090 1.00 25.13 C ATOM 115 CG2 ILE A 8 8.064 14.047 -7.962 1.00 42.33 C ATOM 116 CD1 ILE A 8 6.576 15.204 -10.500 1.00 61.23 C ATOM 0 H ILE A 8 4.093 15.124 -7.340 1.00 22.24 H new ATOM 0 HA ILE A 8 5.589 13.083 -8.885 1.00 24.01 H new ATOM 0 HB ILE A 8 6.584 15.260 -6.984 1.00 13.25 H new ATOM 0 HG12 ILE A 8 5.606 16.328 -8.962 1.00 25.13 H new ATOM 0 HG13 ILE A 8 7.350 16.506 -8.992 1.00 25.13 H new ATOM 0 HG21 ILE A 8 8.844 14.808 -7.929 1.00 42.33 H new ATOM 0 HG22 ILE A 8 8.163 13.388 -7.099 1.00 42.33 H new ATOM 0 HG23 ILE A 8 8.165 13.464 -8.877 1.00 42.33 H new ATOM 0 HD11 ILE A 8 6.481 16.011 -11.227 1.00 61.23 H new ATOM 0 HD12 ILE A 8 7.521 14.684 -10.657 1.00 61.23 H new ATOM 0 HD13 ILE A 8 5.751 14.503 -10.626 1.00 61.23 H new ATOM 128 N ILE A 9 6.182 11.576 -6.884 1.00 42.20 N ATOM 129 CA ILE A 9 6.452 10.644 -5.760 1.00 73.24 C ATOM 130 C ILE A 9 7.454 11.268 -4.734 1.00 71.24 C ATOM 131 O ILE A 9 8.530 11.736 -5.119 1.00 3.22 O ATOM 132 CB ILE A 9 7.046 9.285 -6.297 1.00 11.55 C ATOM 133 CG1 ILE A 9 6.072 8.569 -7.298 1.00 40.31 C ATOM 134 CG2 ILE A 9 7.429 8.339 -5.135 1.00 34.20 C ATOM 135 CD1 ILE A 9 4.805 7.993 -6.684 1.00 11.44 C ATOM 0 H ILE A 9 6.514 11.234 -7.786 1.00 42.20 H new ATOM 0 HA ILE A 9 5.503 10.456 -5.258 1.00 73.24 H new ATOM 0 HB ILE A 9 7.953 9.535 -6.847 1.00 11.55 H new ATOM 0 HG12 ILE A 9 5.788 9.281 -8.072 1.00 40.31 H new ATOM 0 HG13 ILE A 9 6.615 7.762 -7.791 1.00 40.31 H new ATOM 0 HG21 ILE A 9 7.835 7.412 -5.539 1.00 34.20 H new ATOM 0 HG22 ILE A 9 8.179 8.820 -4.506 1.00 34.20 H new ATOM 0 HG23 ILE A 9 6.544 8.118 -4.539 1.00 34.20 H new ATOM 0 HD11 ILE A 9 4.205 7.522 -7.463 1.00 11.44 H new ATOM 0 HD12 ILE A 9 5.070 7.251 -5.931 1.00 11.44 H new ATOM 0 HD13 ILE A 9 4.230 8.793 -6.217 1.00 11.44 H new ATOM 147 N ASN A 10 7.090 11.245 -3.432 1.00 65.34 N ATOM 148 CA ASN A 10 7.950 11.767 -2.330 1.00 51.54 C ATOM 149 C ASN A 10 8.544 10.607 -1.464 1.00 63.43 C ATOM 150 O ASN A 10 9.464 10.822 -0.668 1.00 1.00 O ATOM 151 CB ASN A 10 7.127 12.749 -1.450 1.00 31.44 C ATOM 152 CG ASN A 10 7.974 13.564 -0.465 1.00 61.14 C ATOM 153 OD1 ASN A 10 9.121 13.912 -0.741 1.00 44.23 O ATOM 154 ND2 ASN A 10 7.429 13.855 0.700 1.00 31.23 N ATOM 0 H ASN A 10 6.199 10.868 -3.110 1.00 65.34 H new ATOM 0 HA ASN A 10 8.792 12.300 -2.772 1.00 51.54 H new ATOM 0 HB2 ASN A 10 6.584 13.435 -2.100 1.00 31.44 H new ATOM 0 HB3 ASN A 10 6.382 12.183 -0.891 1.00 31.44 H new ATOM 0 HD21 ASN A 10 7.960 14.379 1.395 1.00 31.23 H new ATOM 0 HD22 ASN A 10 6.476 13.556 0.906 1.00 31.23 H new ATOM 161 N THR A 11 7.999 9.379 -1.618 1.00 14.12 N ATOM 162 CA THR A 11 8.530 8.154 -0.939 1.00 75.34 C ATOM 163 C THR A 11 8.365 6.916 -1.849 1.00 30.34 C ATOM 164 O THR A 11 7.308 6.721 -2.450 1.00 53.00 O ATOM 165 CB THR A 11 7.813 7.881 0.434 1.00 11.13 C ATOM 166 OG1 THR A 11 7.943 9.019 1.308 1.00 41.24 O ATOM 167 CG2 THR A 11 8.354 6.631 1.161 1.00 35.24 C ATOM 0 H THR A 11 7.187 9.200 -2.208 1.00 14.12 H new ATOM 0 HA THR A 11 9.587 8.335 -0.744 1.00 75.34 H new ATOM 0 HB THR A 11 6.765 7.701 0.195 1.00 11.13 H new ATOM 0 HG1 THR A 11 7.490 8.833 2.157 1.00 41.24 H new ATOM 0 HG21 THR A 11 7.819 6.497 2.101 1.00 35.24 H new ATOM 0 HG22 THR A 11 8.208 5.753 0.532 1.00 35.24 H new ATOM 0 HG23 THR A 11 9.417 6.760 1.364 1.00 35.24 H new ATOM 175 N SER A 12 9.392 6.043 -1.876 1.00 12.24 N ATOM 176 CA SER A 12 9.452 4.888 -2.798 1.00 44.35 C ATOM 177 C SER A 12 9.371 3.541 -2.048 1.00 34.15 C ATOM 178 O SER A 12 10.223 3.233 -1.211 1.00 52.04 O ATOM 179 CB SER A 12 10.753 4.960 -3.635 1.00 35.42 C ATOM 180 OG SER A 12 11.915 5.030 -2.818 1.00 71.11 O ATOM 0 H SER A 12 10.202 6.117 -1.261 1.00 12.24 H new ATOM 0 HA SER A 12 8.586 4.940 -3.457 1.00 44.35 H new ATOM 0 HB2 SER A 12 10.817 4.084 -4.280 1.00 35.42 H new ATOM 0 HB3 SER A 12 10.716 5.833 -4.286 1.00 35.42 H new ATOM 0 HG SER A 12 11.797 4.457 -2.032 1.00 71.11 H new ATOM 186 N HIS A 13 8.321 2.762 -2.351 1.00 23.44 N ATOM 187 CA HIS A 13 8.189 1.348 -1.914 1.00 14.41 C ATOM 188 C HIS A 13 8.829 0.420 -2.973 1.00 71.41 C ATOM 189 O HIS A 13 9.443 -0.601 -2.651 1.00 62.45 O ATOM 190 CB HIS A 13 6.694 0.991 -1.711 1.00 40.22 C ATOM 191 CG HIS A 13 5.957 1.953 -0.812 1.00 74.11 C ATOM 192 ND1 HIS A 13 5.816 1.715 0.530 1.00 3.11 N ATOM 193 CD2 HIS A 13 5.356 3.136 -1.114 1.00 55.50 C ATOM 194 CE1 HIS A 13 5.144 2.742 1.009 1.00 62.34 C ATOM 195 NE2 HIS A 13 4.845 3.622 0.053 1.00 30.33 N ATOM 0 H HIS A 13 7.532 3.089 -2.908 1.00 23.44 H new ATOM 0 HA HIS A 13 8.706 1.212 -0.964 1.00 14.41 H new ATOM 0 HB2 HIS A 13 6.201 0.965 -2.683 1.00 40.22 H new ATOM 0 HB3 HIS A 13 6.623 -0.012 -1.291 1.00 40.22 H new ATOM 0 HD2 HIS A 13 5.296 3.599 -2.088 1.00 55.50 H new ATOM 0 HE1 HIS A 13 4.869 2.857 2.047 1.00 62.34 H new ATOM 0 HE2 HIS A 13 4.331 4.495 0.172 1.00 30.33 H new ATOM 203 N MET A 14 8.668 0.816 -4.247 1.00 65.14 N ATOM 204 CA MET A 14 9.278 0.148 -5.413 1.00 24.11 C ATOM 205 C MET A 14 10.593 0.890 -5.788 1.00 42.01 C ATOM 206 O MET A 14 10.669 2.119 -5.647 1.00 34.00 O ATOM 207 CB MET A 14 8.265 0.157 -6.601 1.00 74.41 C ATOM 208 CG MET A 14 8.628 -0.761 -7.775 1.00 21.34 C ATOM 209 SD MET A 14 8.684 -2.508 -7.313 1.00 55.21 S ATOM 210 CE MET A 14 7.018 -2.801 -6.697 1.00 64.44 C ATOM 0 H MET A 14 8.100 1.624 -4.502 1.00 65.14 H new ATOM 0 HA MET A 14 9.518 -0.889 -5.178 1.00 24.11 H new ATOM 0 HB2 MET A 14 7.284 -0.133 -6.224 1.00 74.41 H new ATOM 0 HB3 MET A 14 8.175 1.178 -6.973 1.00 74.41 H new ATOM 0 HG2 MET A 14 7.899 -0.625 -8.574 1.00 21.34 H new ATOM 0 HG3 MET A 14 9.598 -0.465 -8.174 1.00 21.34 H new ATOM 0 HE1 MET A 14 6.825 -3.873 -6.666 1.00 64.44 H new ATOM 0 HE2 MET A 14 6.923 -2.386 -5.693 1.00 64.44 H new ATOM 0 HE3 MET A 14 6.296 -2.321 -7.358 1.00 64.44 H new ATOM 220 N LYS A 15 11.623 0.153 -6.250 1.00 63.25 N ATOM 221 CA LYS A 15 12.939 0.755 -6.627 1.00 50.31 C ATOM 222 C LYS A 15 12.853 1.705 -7.863 1.00 0.23 C ATOM 223 O LYS A 15 13.696 2.594 -8.033 1.00 12.03 O ATOM 224 CB LYS A 15 14.039 -0.354 -6.799 1.00 51.24 C ATOM 225 CG LYS A 15 13.622 -1.650 -7.552 1.00 11.43 C ATOM 226 CD LYS A 15 13.477 -1.493 -9.086 1.00 3.41 C ATOM 227 CE LYS A 15 13.103 -2.821 -9.773 1.00 31.22 C ATOM 228 NZ LYS A 15 12.988 -2.685 -11.248 1.00 12.13 N ATOM 0 H LYS A 15 11.579 -0.858 -6.375 1.00 63.25 H new ATOM 0 HA LYS A 15 13.240 1.394 -5.797 1.00 50.31 H new ATOM 0 HB2 LYS A 15 14.885 0.087 -7.326 1.00 51.24 H new ATOM 0 HB3 LYS A 15 14.393 -0.637 -5.808 1.00 51.24 H new ATOM 0 HG2 LYS A 15 14.361 -2.425 -7.349 1.00 11.43 H new ATOM 0 HG3 LYS A 15 12.673 -2.000 -7.146 1.00 11.43 H new ATOM 0 HD2 LYS A 15 12.713 -0.746 -9.303 1.00 3.41 H new ATOM 0 HD3 LYS A 15 14.414 -1.122 -9.502 1.00 3.41 H new ATOM 0 HE2 LYS A 15 13.857 -3.573 -9.538 1.00 31.22 H new ATOM 0 HE3 LYS A 15 12.157 -3.181 -9.370 1.00 31.22 H new ATOM 0 HZ1 LYS A 15 12.167 -3.227 -11.584 1.00 12.13 H new ATOM 0 HZ2 LYS A 15 12.865 -1.682 -11.496 1.00 12.13 H new ATOM 0 HZ3 LYS A 15 13.851 -3.050 -11.699 1.00 12.13 H new ATOM 242 N GLY A 16 11.825 1.506 -8.711 1.00 3.54 N ATOM 243 CA GLY A 16 11.548 2.405 -9.850 1.00 3.51 C ATOM 244 C GLY A 16 10.607 3.568 -9.507 1.00 62.21 C ATOM 245 O GLY A 16 10.360 4.439 -10.345 1.00 73.52 O ATOM 0 H GLY A 16 11.170 0.728 -8.629 1.00 3.54 H new ATOM 0 HA2 GLY A 16 12.491 2.809 -10.219 1.00 3.51 H new ATOM 0 HA3 GLY A 16 11.111 1.824 -10.662 1.00 3.51 H new ATOM 249 N MET A 17 10.114 3.612 -8.255 1.00 70.41 N ATOM 250 CA MET A 17 9.072 4.580 -7.834 1.00 54.54 C ATOM 251 C MET A 17 9.697 5.960 -7.509 1.00 31.33 C ATOM 252 O MET A 17 9.050 6.995 -7.685 1.00 75.05 O ATOM 253 CB MET A 17 8.295 4.036 -6.600 1.00 41.34 C ATOM 254 CG MET A 17 7.084 4.879 -6.173 1.00 12.24 C ATOM 255 SD MET A 17 6.379 4.361 -4.594 1.00 1.12 S ATOM 256 CE MET A 17 5.791 2.720 -4.984 1.00 54.34 C ATOM 0 H MET A 17 10.420 2.986 -7.510 1.00 70.41 H new ATOM 0 HA MET A 17 8.374 4.708 -8.661 1.00 54.54 H new ATOM 0 HB2 MET A 17 7.955 3.024 -6.821 1.00 41.34 H new ATOM 0 HB3 MET A 17 8.984 3.964 -5.758 1.00 41.34 H new ATOM 0 HG2 MET A 17 7.383 5.925 -6.104 1.00 12.24 H new ATOM 0 HG3 MET A 17 6.316 4.817 -6.944 1.00 12.24 H new ATOM 0 HE1 MET A 17 5.238 2.320 -4.134 1.00 54.34 H new ATOM 0 HE2 MET A 17 5.136 2.765 -5.854 1.00 54.34 H new ATOM 0 HE3 MET A 17 6.640 2.072 -5.202 1.00 54.34 H new ATOM 266 N LYS A 18 10.968 5.952 -7.055 1.00 20.31 N ATOM 267 CA LYS A 18 11.696 7.174 -6.642 1.00 44.43 C ATOM 268 C LYS A 18 11.826 8.199 -7.803 1.00 4.54 C ATOM 269 O LYS A 18 12.403 7.886 -8.848 1.00 25.31 O ATOM 270 CB LYS A 18 13.111 6.796 -6.119 1.00 23.10 C ATOM 271 CG LYS A 18 13.953 7.999 -5.629 1.00 73.33 C ATOM 272 CD LYS A 18 15.398 7.618 -5.230 1.00 42.51 C ATOM 273 CE LYS A 18 16.217 8.844 -4.781 1.00 61.22 C ATOM 274 NZ LYS A 18 17.608 8.490 -4.396 1.00 45.44 N ATOM 0 H LYS A 18 11.520 5.099 -6.964 1.00 20.31 H new ATOM 0 HA LYS A 18 11.117 7.645 -5.847 1.00 44.43 H new ATOM 0 HB2 LYS A 18 13.004 6.085 -5.300 1.00 23.10 H new ATOM 0 HB3 LYS A 18 13.655 6.287 -6.914 1.00 23.10 H new ATOM 0 HG2 LYS A 18 13.988 8.752 -6.416 1.00 73.33 H new ATOM 0 HG3 LYS A 18 13.456 8.455 -4.773 1.00 73.33 H new ATOM 0 HD2 LYS A 18 15.370 6.886 -4.423 1.00 42.51 H new ATOM 0 HD3 LYS A 18 15.894 7.141 -6.076 1.00 42.51 H new ATOM 0 HE2 LYS A 18 16.242 9.576 -5.589 1.00 61.22 H new ATOM 0 HE3 LYS A 18 15.719 9.319 -3.936 1.00 61.22 H new ATOM 0 HZ1 LYS A 18 18.116 9.349 -4.102 1.00 45.44 H new ATOM 0 HZ2 LYS A 18 17.588 7.812 -3.607 1.00 45.44 H new ATOM 0 HZ3 LYS A 18 18.095 8.061 -5.209 1.00 45.44 H new ATOM 288 N GLY A 19 11.269 9.412 -7.604 1.00 72.41 N ATOM 289 CA GLY A 19 11.374 10.503 -8.592 1.00 44.31 C ATOM 290 C GLY A 19 10.392 10.396 -9.765 1.00 44.51 C ATOM 291 O GLY A 19 10.409 11.240 -10.670 1.00 4.21 O ATOM 0 H GLY A 19 10.742 9.659 -6.767 1.00 72.41 H new ATOM 0 HA2 GLY A 19 11.211 11.453 -8.084 1.00 44.31 H new ATOM 0 HA3 GLY A 19 12.390 10.523 -8.986 1.00 44.31 H new ATOM 295 N ALA A 20 9.538 9.357 -9.758 1.00 52.02 N ATOM 296 CA ALA A 20 8.545 9.123 -10.827 1.00 40.44 C ATOM 297 C ALA A 20 7.356 10.105 -10.726 1.00 72.02 C ATOM 298 O ALA A 20 7.000 10.559 -9.635 1.00 62.24 O ATOM 299 CB ALA A 20 8.062 7.669 -10.777 1.00 22.33 C ATOM 0 H ALA A 20 9.515 8.658 -9.016 1.00 52.02 H new ATOM 0 HA ALA A 20 9.027 9.304 -11.788 1.00 40.44 H new ATOM 0 HB1 ALA A 20 7.330 7.501 -11.567 1.00 22.33 H new ATOM 0 HB2 ALA A 20 8.910 6.999 -10.920 1.00 22.33 H new ATOM 0 HB3 ALA A 20 7.602 7.471 -9.809 1.00 22.33 H new ATOM 305 N GLU A 21 6.759 10.442 -11.876 1.00 31.14 N ATOM 306 CA GLU A 21 5.614 11.372 -11.945 1.00 50.14 C ATOM 307 C GLU A 21 4.277 10.593 -11.891 1.00 0.54 C ATOM 308 O GLU A 21 3.847 10.001 -12.889 1.00 61.32 O ATOM 309 CB GLU A 21 5.714 12.229 -13.231 1.00 40.44 C ATOM 310 CG GLU A 21 4.638 13.322 -13.360 1.00 42.25 C ATOM 311 CD GLU A 21 4.835 14.218 -14.596 1.00 40.42 C ATOM 312 OE1 GLU A 21 4.627 13.736 -15.732 1.00 51.50 O ATOM 313 OE2 GLU A 21 5.205 15.400 -14.443 1.00 62.14 O ATOM 0 H GLU A 21 7.051 10.082 -12.784 1.00 31.14 H new ATOM 0 HA GLU A 21 5.641 12.039 -11.083 1.00 50.14 H new ATOM 0 HB2 GLU A 21 6.697 12.700 -13.262 1.00 40.44 H new ATOM 0 HB3 GLU A 21 5.649 11.570 -14.097 1.00 40.44 H new ATOM 0 HG2 GLU A 21 3.656 12.853 -13.411 1.00 42.25 H new ATOM 0 HG3 GLU A 21 4.648 13.942 -12.463 1.00 42.25 H new ATOM 320 N ALA A 22 3.630 10.612 -10.715 1.00 33.24 N ATOM 321 CA ALA A 22 2.393 9.852 -10.442 1.00 24.12 C ATOM 322 C ALA A 22 1.133 10.633 -10.877 1.00 12.41 C ATOM 323 O ALA A 22 1.129 11.853 -10.882 1.00 50.43 O ATOM 324 CB ALA A 22 2.330 9.517 -8.944 1.00 42.14 C ATOM 0 H ALA A 22 3.952 11.160 -9.917 1.00 33.24 H new ATOM 0 HA ALA A 22 2.415 8.932 -11.026 1.00 24.12 H new ATOM 0 HB1 ALA A 22 1.419 8.956 -8.735 1.00 42.14 H new ATOM 0 HB2 ALA A 22 3.197 8.917 -8.669 1.00 42.14 H new ATOM 0 HB3 ALA A 22 2.329 10.440 -8.364 1.00 42.14 H new ATOM 330 N THR A 23 0.067 9.916 -11.256 1.00 71.41 N ATOM 331 CA THR A 23 -1.221 10.528 -11.659 1.00 22.32 C ATOM 332 C THR A 23 -2.358 9.973 -10.782 1.00 43.42 C ATOM 333 O THR A 23 -2.662 8.781 -10.844 1.00 40.31 O ATOM 334 CB THR A 23 -1.526 10.259 -13.174 1.00 24.31 C ATOM 335 OG1 THR A 23 -0.402 10.674 -13.975 1.00 54.20 O ATOM 336 CG2 THR A 23 -2.795 10.993 -13.649 1.00 42.24 C ATOM 0 H THR A 23 0.066 8.897 -11.294 1.00 71.41 H new ATOM 0 HA THR A 23 -1.148 11.606 -11.517 1.00 22.32 H new ATOM 0 HB THR A 23 -1.698 9.189 -13.290 1.00 24.31 H new ATOM 0 HG1 THR A 23 0.303 9.996 -13.925 1.00 54.20 H new ATOM 0 HG21 THR A 23 -2.967 10.777 -14.704 1.00 42.24 H new ATOM 0 HG22 THR A 23 -3.651 10.655 -13.065 1.00 42.24 H new ATOM 0 HG23 THR A 23 -2.666 12.067 -13.514 1.00 42.24 H new ATOM 344 N VAL A 24 -2.986 10.849 -9.985 1.00 70.14 N ATOM 345 CA VAL A 24 -4.018 10.456 -9.002 1.00 21.31 C ATOM 346 C VAL A 24 -5.331 10.066 -9.726 1.00 72.41 C ATOM 347 O VAL A 24 -6.115 10.926 -10.113 1.00 11.10 O ATOM 348 CB VAL A 24 -4.289 11.610 -7.962 1.00 42.32 C ATOM 349 CG1 VAL A 24 -5.314 11.172 -6.880 1.00 0.11 C ATOM 350 CG2 VAL A 24 -2.968 12.110 -7.323 1.00 10.22 C ATOM 0 H VAL A 24 -2.796 11.851 -10.000 1.00 70.14 H new ATOM 0 HA VAL A 24 -3.645 9.591 -8.454 1.00 21.31 H new ATOM 0 HB VAL A 24 -4.729 12.446 -8.505 1.00 42.32 H new ATOM 0 HG11 VAL A 24 -5.477 11.992 -6.180 1.00 0.11 H new ATOM 0 HG12 VAL A 24 -6.258 10.910 -7.358 1.00 0.11 H new ATOM 0 HG13 VAL A 24 -4.927 10.307 -6.342 1.00 0.11 H new ATOM 0 HG21 VAL A 24 -3.187 12.905 -6.610 1.00 10.22 H new ATOM 0 HG22 VAL A 24 -2.478 11.284 -6.806 1.00 10.22 H new ATOM 0 HG23 VAL A 24 -2.309 12.492 -8.102 1.00 10.22 H new ATOM 360 N THR A 25 -5.532 8.760 -9.942 1.00 34.00 N ATOM 361 CA THR A 25 -6.752 8.217 -10.589 1.00 2.53 C ATOM 362 C THR A 25 -7.764 7.696 -9.541 1.00 43.33 C ATOM 363 O THR A 25 -8.875 7.281 -9.891 1.00 60.43 O ATOM 364 CB THR A 25 -6.389 7.078 -11.597 1.00 11.32 C ATOM 365 OG1 THR A 25 -5.653 6.037 -10.922 1.00 13.41 O ATOM 366 CG2 THR A 25 -5.566 7.619 -12.785 1.00 0.22 C ATOM 0 H THR A 25 -4.858 8.042 -9.676 1.00 34.00 H new ATOM 0 HA THR A 25 -7.220 9.035 -11.137 1.00 2.53 H new ATOM 0 HB THR A 25 -7.319 6.668 -11.990 1.00 11.32 H new ATOM 0 HG1 THR A 25 -5.696 5.212 -11.449 1.00 13.41 H new ATOM 0 HG21 THR A 25 -5.330 6.802 -13.467 1.00 0.22 H new ATOM 0 HG22 THR A 25 -6.145 8.377 -13.313 1.00 0.22 H new ATOM 0 HG23 THR A 25 -4.641 8.061 -12.415 1.00 0.22 H new ATOM 374 N GLY A 26 -7.368 7.723 -8.253 1.00 30.11 N ATOM 375 CA GLY A 26 -8.252 7.357 -7.144 1.00 5.04 C ATOM 376 C GLY A 26 -7.817 8.003 -5.828 1.00 31.22 C ATOM 377 O GLY A 26 -6.621 8.081 -5.540 1.00 53.12 O ATOM 0 H GLY A 26 -6.431 7.998 -7.960 1.00 30.11 H new ATOM 0 HA2 GLY A 26 -9.272 7.662 -7.378 1.00 5.04 H new ATOM 0 HA3 GLY A 26 -8.261 6.273 -7.030 1.00 5.04 H new ATOM 381 N ALA A 27 -8.793 8.475 -5.035 1.00 75.05 N ATOM 382 CA ALA A 27 -8.556 9.059 -3.697 1.00 12.10 C ATOM 383 C ALA A 27 -9.406 8.312 -2.645 1.00 35.25 C ATOM 384 O ALA A 27 -10.635 8.424 -2.630 1.00 61.43 O ATOM 385 CB ALA A 27 -8.872 10.567 -3.712 1.00 22.02 C ATOM 0 H ALA A 27 -9.777 8.464 -5.303 1.00 75.05 H new ATOM 0 HA ALA A 27 -7.506 8.944 -3.429 1.00 12.10 H new ATOM 0 HB1 ALA A 27 -8.694 10.986 -2.722 1.00 22.02 H new ATOM 0 HB2 ALA A 27 -8.230 11.066 -4.438 1.00 22.02 H new ATOM 0 HB3 ALA A 27 -9.916 10.717 -3.987 1.00 22.02 H new ATOM 391 N TYR A 28 -8.742 7.517 -1.792 1.00 4.34 N ATOM 392 CA TYR A 28 -9.403 6.653 -0.786 1.00 71.00 C ATOM 393 C TYR A 28 -9.107 7.167 0.641 1.00 43.32 C ATOM 394 O TYR A 28 -7.969 7.099 1.102 1.00 2.32 O ATOM 395 CB TYR A 28 -8.915 5.182 -0.944 1.00 31.30 C ATOM 396 CG TYR A 28 -9.249 4.519 -2.300 1.00 44.33 C ATOM 397 CD1 TYR A 28 -8.604 4.908 -3.483 1.00 11.51 C ATOM 398 CD2 TYR A 28 -10.201 3.498 -2.392 1.00 55.04 C ATOM 399 CE1 TYR A 28 -8.902 4.309 -4.694 1.00 2.15 C ATOM 400 CE2 TYR A 28 -10.496 2.897 -3.603 1.00 0.42 C ATOM 401 CZ TYR A 28 -9.845 3.307 -4.748 1.00 42.24 C ATOM 402 OH TYR A 28 -10.149 2.714 -5.954 1.00 13.15 O ATOM 0 H TYR A 28 -7.724 7.451 -1.776 1.00 4.34 H new ATOM 0 HA TYR A 28 -10.480 6.685 -0.948 1.00 71.00 H new ATOM 0 HB2 TYR A 28 -7.835 5.157 -0.802 1.00 31.30 H new ATOM 0 HB3 TYR A 28 -9.355 4.583 -0.147 1.00 31.30 H new ATOM 0 HD1 TYR A 28 -7.860 5.690 -3.448 1.00 11.51 H new ATOM 0 HD2 TYR A 28 -10.716 3.172 -1.500 1.00 55.04 H new ATOM 0 HE1 TYR A 28 -8.397 4.626 -5.594 1.00 2.15 H new ATOM 0 HE2 TYR A 28 -11.234 2.110 -3.652 1.00 0.42 H new ATOM 0 HH TYR A 28 -10.833 2.026 -5.817 1.00 13.15 H new ATOM 412 N ASP A 29 -10.135 7.678 1.342 1.00 15.15 N ATOM 413 CA ASP A 29 -9.984 8.198 2.719 1.00 44.21 C ATOM 414 C ASP A 29 -10.350 7.084 3.730 1.00 20.14 C ATOM 415 O ASP A 29 -11.491 6.986 4.199 1.00 52.22 O ATOM 416 CB ASP A 29 -10.853 9.469 2.911 1.00 33.12 C ATOM 417 CG ASP A 29 -10.556 10.196 4.234 1.00 71.13 C ATOM 418 OD1 ASP A 29 -9.570 10.962 4.286 1.00 32.54 O ATOM 419 OD2 ASP A 29 -11.291 10.005 5.226 1.00 42.23 O ATOM 0 H ASP A 29 -11.085 7.743 0.978 1.00 15.15 H new ATOM 0 HA ASP A 29 -8.948 8.488 2.896 1.00 44.21 H new ATOM 0 HB2 ASP A 29 -10.680 10.152 2.079 1.00 33.12 H new ATOM 0 HB3 ASP A 29 -11.907 9.192 2.882 1.00 33.12 H new ATOM 424 N THR A 30 -9.373 6.209 4.004 1.00 0.04 N ATOM 425 CA THR A 30 -9.562 4.989 4.832 1.00 4.44 C ATOM 426 C THR A 30 -8.415 4.809 5.858 1.00 35.53 C ATOM 427 O THR A 30 -7.476 5.603 5.899 1.00 54.41 O ATOM 428 CB THR A 30 -9.690 3.724 3.906 1.00 51.13 C ATOM 429 OG1 THR A 30 -9.828 2.520 4.688 1.00 12.42 O ATOM 430 CG2 THR A 30 -8.493 3.586 2.950 1.00 50.52 C ATOM 0 H THR A 30 -8.419 6.320 3.659 1.00 0.04 H new ATOM 0 HA THR A 30 -10.485 5.106 5.400 1.00 4.44 H new ATOM 0 HB THR A 30 -10.589 3.866 3.306 1.00 51.13 H new ATOM 0 HG1 THR A 30 -9.908 1.748 4.089 1.00 12.42 H new ATOM 0 HG21 THR A 30 -8.623 2.699 2.330 1.00 50.52 H new ATOM 0 HG22 THR A 30 -8.432 4.469 2.313 1.00 50.52 H new ATOM 0 HG23 THR A 30 -7.574 3.492 3.529 1.00 50.52 H new ATOM 438 N THR A 31 -8.508 3.766 6.704 1.00 75.20 N ATOM 439 CA THR A 31 -7.428 3.397 7.642 1.00 42.44 C ATOM 440 C THR A 31 -6.398 2.476 6.937 1.00 3.14 C ATOM 441 O THR A 31 -6.765 1.434 6.379 1.00 11.24 O ATOM 442 CB THR A 31 -7.985 2.685 8.924 1.00 4.13 C ATOM 443 OG1 THR A 31 -9.007 3.492 9.537 1.00 54.02 O ATOM 444 CG2 THR A 31 -6.873 2.414 9.962 1.00 1.12 C ATOM 0 H THR A 31 -9.326 3.159 6.758 1.00 75.20 H new ATOM 0 HA THR A 31 -6.940 4.319 7.957 1.00 42.44 H new ATOM 0 HB THR A 31 -8.400 1.729 8.605 1.00 4.13 H new ATOM 0 HG1 THR A 31 -9.348 3.037 10.335 1.00 54.02 H new ATOM 0 HG21 THR A 31 -7.302 1.920 10.834 1.00 1.12 H new ATOM 0 HG22 THR A 31 -6.111 1.772 9.520 1.00 1.12 H new ATOM 0 HG23 THR A 31 -6.421 3.358 10.266 1.00 1.12 H new ATOM 452 N ALA A 32 -5.120 2.877 6.987 1.00 33.21 N ATOM 453 CA ALA A 32 -3.987 2.149 6.380 1.00 44.43 C ATOM 454 C ALA A 32 -3.176 1.398 7.470 1.00 25.00 C ATOM 455 O ALA A 32 -3.170 1.799 8.641 1.00 22.23 O ATOM 456 CB ALA A 32 -3.097 3.144 5.625 1.00 32.11 C ATOM 0 H ALA A 32 -4.835 3.735 7.460 1.00 33.21 H new ATOM 0 HA ALA A 32 -4.366 1.406 5.679 1.00 44.43 H new ATOM 0 HB1 ALA A 32 -2.259 2.613 5.174 1.00 32.11 H new ATOM 0 HB2 ALA A 32 -3.679 3.633 4.844 1.00 32.11 H new ATOM 0 HB3 ALA A 32 -2.720 3.895 6.320 1.00 32.11 H new ATOM 462 N TYR A 33 -2.486 0.315 7.072 1.00 63.15 N ATOM 463 CA TYR A 33 -1.759 -0.580 8.005 1.00 32.42 C ATOM 464 C TYR A 33 -0.376 -0.981 7.446 1.00 51.11 C ATOM 465 O TYR A 33 -0.186 -1.144 6.231 1.00 4.14 O ATOM 466 CB TYR A 33 -2.575 -1.878 8.288 1.00 42.12 C ATOM 467 CG TYR A 33 -3.956 -1.651 8.916 1.00 60.22 C ATOM 468 CD1 TYR A 33 -4.087 -1.386 10.277 1.00 23.55 C ATOM 469 CD2 TYR A 33 -5.125 -1.694 8.147 1.00 34.22 C ATOM 470 CE1 TYR A 33 -5.326 -1.174 10.848 1.00 44.12 C ATOM 471 CE2 TYR A 33 -6.365 -1.485 8.720 1.00 4.43 C ATOM 472 CZ TYR A 33 -6.458 -1.224 10.069 1.00 73.41 C ATOM 473 OH TYR A 33 -7.695 -1.011 10.647 1.00 61.52 O ATOM 0 H TYR A 33 -2.413 0.031 6.095 1.00 63.15 H new ATOM 0 HA TYR A 33 -1.624 -0.021 8.931 1.00 32.42 H new ATOM 0 HB2 TYR A 33 -2.703 -2.420 7.351 1.00 42.12 H new ATOM 0 HB3 TYR A 33 -1.992 -2.519 8.950 1.00 42.12 H new ATOM 0 HD1 TYR A 33 -3.204 -1.346 10.897 1.00 23.55 H new ATOM 0 HD2 TYR A 33 -5.057 -1.894 7.088 1.00 34.22 H new ATOM 0 HE1 TYR A 33 -5.406 -0.969 11.905 1.00 44.12 H new ATOM 0 HE2 TYR A 33 -7.257 -1.526 8.113 1.00 4.43 H new ATOM 0 HH TYR A 33 -8.392 -1.079 9.962 1.00 61.52 H new ATOM 483 N VAL A 34 0.575 -1.135 8.373 1.00 55.20 N ATOM 484 CA VAL A 34 1.888 -1.757 8.133 1.00 43.14 C ATOM 485 C VAL A 34 1.816 -3.190 8.697 1.00 13.23 C ATOM 486 O VAL A 34 1.505 -3.356 9.878 1.00 23.31 O ATOM 487 CB VAL A 34 3.046 -0.963 8.856 1.00 33.10 C ATOM 488 CG1 VAL A 34 4.437 -1.533 8.493 1.00 35.33 C ATOM 489 CG2 VAL A 34 2.967 0.547 8.544 1.00 63.21 C ATOM 0 H VAL A 34 0.453 -0.824 9.337 1.00 55.20 H new ATOM 0 HA VAL A 34 2.110 -1.752 7.066 1.00 43.14 H new ATOM 0 HB VAL A 34 2.908 -1.091 9.930 1.00 33.10 H new ATOM 0 HG11 VAL A 34 5.210 -0.963 9.008 1.00 35.33 H new ATOM 0 HG12 VAL A 34 4.493 -2.578 8.798 1.00 35.33 H new ATOM 0 HG13 VAL A 34 4.590 -1.461 7.416 1.00 35.33 H new ATOM 0 HG21 VAL A 34 3.777 1.067 9.056 1.00 63.21 H new ATOM 0 HG22 VAL A 34 3.058 0.702 7.469 1.00 63.21 H new ATOM 0 HG23 VAL A 34 2.010 0.940 8.887 1.00 63.21 H new ATOM 499 N VAL A 35 2.052 -4.222 7.864 1.00 40.20 N ATOM 500 CA VAL A 35 1.933 -5.647 8.300 1.00 24.41 C ATOM 501 C VAL A 35 3.233 -6.447 8.085 1.00 43.32 C ATOM 502 O VAL A 35 4.117 -6.046 7.327 1.00 60.43 O ATOM 503 CB VAL A 35 0.740 -6.394 7.580 1.00 23.15 C ATOM 504 CG1 VAL A 35 -0.629 -5.851 8.059 1.00 12.15 C ATOM 505 CG2 VAL A 35 0.872 -6.314 6.033 1.00 63.43 C ATOM 0 H VAL A 35 2.325 -4.107 6.888 1.00 40.20 H new ATOM 0 HA VAL A 35 1.730 -5.601 9.370 1.00 24.41 H new ATOM 0 HB VAL A 35 0.794 -7.447 7.857 1.00 23.15 H new ATOM 0 HG11 VAL A 35 -1.431 -6.383 7.547 1.00 12.15 H new ATOM 0 HG12 VAL A 35 -0.723 -6.000 9.135 1.00 12.15 H new ATOM 0 HG13 VAL A 35 -0.698 -4.787 7.833 1.00 12.15 H new ATOM 0 HG21 VAL A 35 0.036 -6.837 5.569 1.00 63.43 H new ATOM 0 HG22 VAL A 35 0.865 -5.270 5.721 1.00 63.43 H new ATOM 0 HG23 VAL A 35 1.808 -6.779 5.723 1.00 63.43 H new ATOM 515 N SER A 36 3.323 -7.597 8.781 1.00 64.10 N ATOM 516 CA SER A 36 4.444 -8.557 8.648 1.00 24.22 C ATOM 517 C SER A 36 3.890 -9.979 8.457 1.00 71.21 C ATOM 518 O SER A 36 3.185 -10.488 9.326 1.00 44.44 O ATOM 519 CB SER A 36 5.336 -8.492 9.912 1.00 13.34 C ATOM 520 OG SER A 36 4.605 -8.767 11.093 1.00 23.43 O ATOM 0 H SER A 36 2.617 -7.891 9.456 1.00 64.10 H new ATOM 0 HA SER A 36 5.046 -8.296 7.778 1.00 24.22 H new ATOM 0 HB2 SER A 36 6.153 -9.208 9.816 1.00 13.34 H new ATOM 0 HB3 SER A 36 5.787 -7.502 9.987 1.00 13.34 H new ATOM 0 HG SER A 36 3.845 -8.152 11.158 1.00 23.43 H new ATOM 526 N TYR A 37 4.250 -10.649 7.351 1.00 74.24 N ATOM 527 CA TYR A 37 3.617 -11.936 6.975 1.00 31.50 C ATOM 528 C TYR A 37 4.584 -12.868 6.247 1.00 1.23 C ATOM 529 O TYR A 37 5.491 -12.417 5.550 1.00 3.00 O ATOM 530 CB TYR A 37 2.358 -11.690 6.092 1.00 31.42 C ATOM 531 CG TYR A 37 2.606 -10.924 4.778 1.00 62.43 C ATOM 532 CD1 TYR A 37 2.631 -9.530 4.757 1.00 45.41 C ATOM 533 CD2 TYR A 37 2.793 -11.595 3.560 1.00 62.11 C ATOM 534 CE1 TYR A 37 2.830 -8.839 3.589 1.00 52.11 C ATOM 535 CE2 TYR A 37 2.990 -10.896 2.386 1.00 54.12 C ATOM 536 CZ TYR A 37 3.006 -9.518 2.408 1.00 30.43 C ATOM 537 OH TYR A 37 3.186 -8.810 1.244 1.00 21.41 O ATOM 0 H TYR A 37 4.969 -10.329 6.702 1.00 74.24 H new ATOM 0 HA TYR A 37 3.321 -12.425 7.903 1.00 31.50 H new ATOM 0 HB2 TYR A 37 1.911 -12.655 5.851 1.00 31.42 H new ATOM 0 HB3 TYR A 37 1.625 -11.138 6.681 1.00 31.42 H new ATOM 0 HD1 TYR A 37 2.491 -8.984 5.678 1.00 45.41 H new ATOM 0 HD2 TYR A 37 2.783 -12.675 3.541 1.00 62.11 H new ATOM 0 HE1 TYR A 37 2.848 -7.759 3.598 1.00 52.11 H new ATOM 0 HE2 TYR A 37 3.131 -11.426 1.456 1.00 54.12 H new ATOM 0 HH TYR A 37 3.654 -9.370 0.590 1.00 21.41 H new ATOM 547 N THR A 38 4.345 -14.173 6.400 1.00 73.34 N ATOM 548 CA THR A 38 5.036 -15.213 5.626 1.00 64.44 C ATOM 549 C THR A 38 4.135 -15.591 4.435 1.00 64.52 C ATOM 550 O THR A 38 3.064 -16.178 4.654 1.00 34.22 O ATOM 551 CB THR A 38 5.349 -16.494 6.478 1.00 10.22 C ATOM 552 OG1 THR A 38 6.194 -16.146 7.586 1.00 10.34 O ATOM 553 CG2 THR A 38 6.033 -17.602 5.642 1.00 22.21 C ATOM 0 H THR A 38 3.665 -14.541 7.065 1.00 73.34 H new ATOM 0 HA THR A 38 5.996 -14.817 5.294 1.00 64.44 H new ATOM 0 HB THR A 38 4.397 -16.886 6.835 1.00 10.22 H new ATOM 0 HG1 THR A 38 6.385 -16.948 8.116 1.00 10.34 H new ATOM 0 HG21 THR A 38 6.229 -18.467 6.276 1.00 22.21 H new ATOM 0 HG22 THR A 38 5.379 -17.894 4.821 1.00 22.21 H new ATOM 0 HG23 THR A 38 6.974 -17.226 5.240 1.00 22.21 H new ATOM 561 N PRO A 39 4.513 -15.215 3.166 1.00 53.12 N ATOM 562 CA PRO A 39 3.762 -15.633 1.957 1.00 32.30 C ATOM 563 C PRO A 39 3.580 -17.178 1.860 1.00 61.12 C ATOM 564 O PRO A 39 4.433 -17.942 2.321 1.00 24.52 O ATOM 565 CB PRO A 39 4.628 -15.093 0.787 1.00 31.25 C ATOM 566 CG PRO A 39 5.408 -13.956 1.376 1.00 0.44 C ATOM 567 CD PRO A 39 5.669 -14.340 2.814 1.00 44.23 C ATOM 0 HA PRO A 39 2.744 -15.244 1.958 1.00 32.30 H new ATOM 0 HB2 PRO A 39 5.290 -15.866 0.396 1.00 31.25 H new ATOM 0 HB3 PRO A 39 4.006 -14.757 -0.043 1.00 31.25 H new ATOM 0 HG2 PRO A 39 6.342 -13.801 0.836 1.00 0.44 H new ATOM 0 HG3 PRO A 39 4.847 -13.024 1.316 1.00 0.44 H new ATOM 0 HD2 PRO A 39 6.617 -14.868 2.921 1.00 44.23 H new ATOM 0 HD3 PRO A 39 5.718 -13.463 3.459 1.00 44.23 H new ATOM 575 N THR A 40 2.460 -17.608 1.260 1.00 34.41 N ATOM 576 CA THR A 40 2.101 -19.042 1.089 1.00 62.33 C ATOM 577 C THR A 40 3.093 -19.812 0.174 1.00 52.02 C ATOM 578 O THR A 40 3.094 -21.046 0.163 1.00 52.42 O ATOM 579 CB THR A 40 0.659 -19.187 0.508 1.00 42.01 C ATOM 580 OG1 THR A 40 0.616 -18.634 -0.820 1.00 54.14 O ATOM 581 CG2 THR A 40 -0.395 -18.489 1.394 1.00 1.10 C ATOM 0 H THR A 40 1.764 -16.971 0.872 1.00 34.41 H new ATOM 0 HA THR A 40 2.153 -19.483 2.084 1.00 62.33 H new ATOM 0 HB THR A 40 0.418 -20.250 0.481 1.00 42.01 H new ATOM 0 HG1 THR A 40 0.781 -17.669 -0.778 1.00 54.14 H new ATOM 0 HG21 THR A 40 -1.383 -18.615 0.952 1.00 1.10 H new ATOM 0 HG22 THR A 40 -0.384 -18.932 2.390 1.00 1.10 H new ATOM 0 HG23 THR A 40 -0.163 -17.426 1.467 1.00 1.10 H new ATOM 589 N ASN A 41 3.905 -19.077 -0.620 1.00 70.33 N ATOM 590 CA ASN A 41 5.014 -19.677 -1.416 1.00 74.54 C ATOM 591 C ASN A 41 6.177 -20.153 -0.493 1.00 3.54 C ATOM 592 O ASN A 41 7.007 -20.974 -0.902 1.00 35.45 O ATOM 593 CB ASN A 41 5.528 -18.666 -2.488 1.00 64.15 C ATOM 594 CG ASN A 41 4.522 -18.350 -3.614 1.00 12.42 C ATOM 595 OD1 ASN A 41 3.228 -18.401 -3.340 1.00 72.04 O flip ATOM 596 ND2 ASN A 41 4.912 -18.049 -4.742 1.00 10.20 N flip ATOM 0 H ASN A 41 3.817 -18.067 -0.730 1.00 70.33 H new ATOM 0 HA ASN A 41 4.624 -20.554 -1.933 1.00 74.54 H new ATOM 0 HB2 ASN A 41 5.798 -17.735 -1.989 1.00 64.15 H new ATOM 0 HB3 ASN A 41 6.439 -19.064 -2.935 1.00 64.15 H new ATOM 0 HD21 ASN A 41 5.911 -18.012 -4.943 1.00 10.20 H new ATOM 0 HD22 ASN A 41 4.236 -17.836 -5.475 1.00 10.20 H new ATOM 603 N GLY A 42 6.221 -19.618 0.744 1.00 74.44 N ATOM 604 CA GLY A 42 7.101 -20.129 1.812 1.00 41.11 C ATOM 605 C GLY A 42 8.570 -19.720 1.687 1.00 33.55 C ATOM 606 O GLY A 42 9.453 -20.416 2.201 1.00 63.31 O ATOM 0 H GLY A 42 5.649 -18.823 1.029 1.00 74.44 H new ATOM 0 HA2 GLY A 42 6.722 -19.780 2.773 1.00 41.11 H new ATOM 0 HA3 GLY A 42 7.042 -21.217 1.822 1.00 41.11 H new ATOM 610 N GLY A 43 8.835 -18.594 0.999 1.00 41.20 N ATOM 611 CA GLY A 43 10.202 -18.079 0.821 1.00 44.12 C ATOM 612 C GLY A 43 10.712 -17.310 2.050 1.00 45.10 C ATOM 613 O GLY A 43 11.207 -17.915 3.009 1.00 33.34 O ATOM 0 H GLY A 43 8.116 -18.022 0.556 1.00 41.20 H new ATOM 0 HA2 GLY A 43 10.875 -18.911 0.613 1.00 44.12 H new ATOM 0 HA3 GLY A 43 10.228 -17.423 -0.049 1.00 44.12 H new ATOM 617 N GLN A 44 10.590 -15.971 2.019 1.00 0.42 N ATOM 618 CA GLN A 44 10.966 -15.083 3.148 1.00 11.21 C ATOM 619 C GLN A 44 9.724 -14.335 3.687 1.00 22.22 C ATOM 620 O GLN A 44 8.843 -13.945 2.909 1.00 70.21 O ATOM 621 CB GLN A 44 12.062 -14.072 2.689 1.00 60.21 C ATOM 622 CG GLN A 44 11.646 -13.150 1.522 1.00 42.54 C ATOM 623 CD GLN A 44 12.791 -12.286 0.980 1.00 10.31 C ATOM 624 OE1 GLN A 44 13.020 -11.173 1.439 1.00 23.33 O ATOM 625 NE2 GLN A 44 13.525 -12.797 0.006 1.00 64.12 N ATOM 0 H GLN A 44 10.227 -15.467 1.210 1.00 0.42 H new ATOM 0 HA GLN A 44 11.370 -15.693 3.956 1.00 11.21 H new ATOM 0 HB2 GLN A 44 12.344 -13.452 3.540 1.00 60.21 H new ATOM 0 HB3 GLN A 44 12.950 -14.630 2.393 1.00 60.21 H new ATOM 0 HG2 GLN A 44 11.249 -13.761 0.712 1.00 42.54 H new ATOM 0 HG3 GLN A 44 10.838 -12.499 1.855 1.00 42.54 H new ATOM 0 HE21 GLN A 44 13.313 -13.726 -0.358 1.00 64.12 H new ATOM 0 HE22 GLN A 44 14.303 -12.262 -0.381 1.00 64.12 H new ATOM 634 N ARG A 45 9.654 -14.157 5.021 1.00 23.23 N ATOM 635 CA ARG A 45 8.608 -13.334 5.662 1.00 53.12 C ATOM 636 C ARG A 45 8.825 -11.837 5.342 1.00 70.55 C ATOM 637 O ARG A 45 9.839 -11.246 5.738 1.00 42.12 O ATOM 638 CB ARG A 45 8.578 -13.578 7.206 1.00 73.30 C ATOM 639 CG ARG A 45 7.753 -12.542 8.025 1.00 53.15 C ATOM 640 CD ARG A 45 7.546 -12.951 9.499 1.00 62.20 C ATOM 641 NE ARG A 45 6.696 -14.148 9.619 1.00 21.11 N ATOM 642 CZ ARG A 45 6.419 -14.793 10.728 1.00 71.34 C ATOM 643 NH1 ARG A 45 6.904 -14.428 11.879 1.00 0.33 N ATOM 644 NH2 ARG A 45 5.665 -15.837 10.673 1.00 64.13 N ATOM 0 H ARG A 45 10.313 -14.574 5.679 1.00 23.23 H new ATOM 0 HA ARG A 45 7.641 -13.632 5.258 1.00 53.12 H new ATOM 0 HB2 ARG A 45 8.171 -14.572 7.393 1.00 73.30 H new ATOM 0 HB3 ARG A 45 9.603 -13.578 7.578 1.00 73.30 H new ATOM 0 HG2 ARG A 45 8.259 -11.577 7.991 1.00 53.15 H new ATOM 0 HG3 ARG A 45 6.780 -12.408 7.553 1.00 53.15 H new ATOM 0 HD2 ARG A 45 8.514 -13.144 9.962 1.00 62.20 H new ATOM 0 HD3 ARG A 45 7.090 -12.125 10.045 1.00 62.20 H new ATOM 0 HE ARG A 45 6.284 -14.510 8.759 1.00 21.11 H new ATOM 0 HH11 ARG A 45 7.520 -13.617 11.939 1.00 0.33 H new ATOM 0 HH12 ARG A 45 6.668 -14.952 12.721 1.00 0.33 H new ATOM 0 HH21 ARG A 45 5.293 -16.151 9.777 1.00 64.13 H new ATOM 0 HH22 ARG A 45 5.440 -16.349 11.526 1.00 64.13 H new ATOM 658 N VAL A 46 7.870 -11.236 4.608 1.00 15.14 N ATOM 659 CA VAL A 46 7.905 -9.801 4.286 1.00 1.02 C ATOM 660 C VAL A 46 7.292 -8.986 5.451 1.00 41.54 C ATOM 661 O VAL A 46 6.075 -8.750 5.514 1.00 33.32 O ATOM 662 CB VAL A 46 7.153 -9.502 2.933 1.00 62.11 C ATOM 663 CG1 VAL A 46 7.116 -7.980 2.601 1.00 53.02 C ATOM 664 CG2 VAL A 46 7.775 -10.317 1.769 1.00 15.25 C ATOM 0 H VAL A 46 7.062 -11.727 4.226 1.00 15.14 H new ATOM 0 HA VAL A 46 8.944 -9.500 4.155 1.00 1.02 H new ATOM 0 HB VAL A 46 6.118 -9.819 3.061 1.00 62.11 H new ATOM 0 HG11 VAL A 46 6.588 -7.826 1.660 1.00 53.02 H new ATOM 0 HG12 VAL A 46 6.600 -7.446 3.399 1.00 53.02 H new ATOM 0 HG13 VAL A 46 8.135 -7.602 2.511 1.00 53.02 H new ATOM 0 HG21 VAL A 46 7.242 -10.096 0.844 1.00 15.25 H new ATOM 0 HG22 VAL A 46 8.825 -10.046 1.656 1.00 15.25 H new ATOM 0 HG23 VAL A 46 7.696 -11.382 1.988 1.00 15.25 H new ATOM 674 N ASP A 47 8.144 -8.678 6.440 1.00 2.43 N ATOM 675 CA ASP A 47 7.863 -7.629 7.437 1.00 34.41 C ATOM 676 C ASP A 47 7.836 -6.195 6.851 1.00 33.31 C ATOM 677 O ASP A 47 8.418 -5.914 5.798 1.00 33.23 O ATOM 678 CB ASP A 47 8.869 -7.714 8.617 1.00 64.13 C ATOM 679 CG ASP A 47 10.336 -7.684 8.165 1.00 60.23 C ATOM 680 OD1 ASP A 47 10.868 -8.746 7.785 1.00 61.30 O ATOM 681 OD2 ASP A 47 10.964 -6.604 8.181 1.00 55.42 O ATOM 0 H ASP A 47 9.042 -9.144 6.573 1.00 2.43 H new ATOM 0 HA ASP A 47 6.854 -7.825 7.799 1.00 34.41 H new ATOM 0 HB2 ASP A 47 8.689 -6.884 9.300 1.00 64.13 H new ATOM 0 HB3 ASP A 47 8.687 -8.632 9.176 1.00 64.13 H new ATOM 686 N HIS A 48 7.148 -5.312 7.603 1.00 0.13 N ATOM 687 CA HIS A 48 7.032 -3.863 7.317 1.00 0.13 C ATOM 688 C HIS A 48 6.459 -3.549 5.903 1.00 5.21 C ATOM 689 O HIS A 48 6.754 -2.493 5.325 1.00 41.45 O ATOM 690 CB HIS A 48 8.411 -3.176 7.543 1.00 14.11 C ATOM 691 CG HIS A 48 8.930 -3.342 8.945 1.00 11.21 C ATOM 692 ND1 HIS A 48 10.060 -4.060 9.261 1.00 0.02 N ATOM 693 CD2 HIS A 48 8.447 -2.884 10.120 1.00 5.01 C ATOM 694 CE1 HIS A 48 10.243 -4.044 10.563 1.00 12.13 C ATOM 695 NE2 HIS A 48 9.281 -3.335 11.112 1.00 72.34 N ATOM 0 H HIS A 48 6.645 -5.590 8.446 1.00 0.13 H new ATOM 0 HA HIS A 48 6.302 -3.452 8.015 1.00 0.13 H new ATOM 0 HB2 HIS A 48 9.136 -3.590 6.842 1.00 14.11 H new ATOM 0 HB3 HIS A 48 8.322 -2.113 7.318 1.00 14.11 H new ATOM 0 HD1 HIS A 48 10.664 -4.533 8.588 1.00 0.02 H new ATOM 0 HD2 HIS A 48 7.566 -2.274 10.254 1.00 5.01 H new ATOM 0 HE1 HIS A 48 11.048 -4.531 11.093 1.00 12.13 H new ATOM 704 N HIS A 49 5.613 -4.457 5.378 1.00 41.00 N ATOM 705 CA HIS A 49 4.947 -4.277 4.070 1.00 2.14 C ATOM 706 C HIS A 49 3.973 -3.077 4.100 1.00 60.20 C ATOM 707 O HIS A 49 3.119 -2.973 4.993 1.00 74.43 O ATOM 708 CB HIS A 49 4.203 -5.566 3.650 1.00 61.33 C ATOM 709 CG HIS A 49 3.408 -5.436 2.362 1.00 53.43 C ATOM 710 ND1 HIS A 49 4.021 -5.446 1.131 1.00 23.15 N ATOM 711 CD2 HIS A 49 2.069 -5.269 2.177 1.00 52.21 C ATOM 712 CE1 HIS A 49 3.057 -5.284 0.241 1.00 32.24 C ATOM 713 NE2 HIS A 49 1.857 -5.172 0.827 1.00 72.12 N ATOM 0 H HIS A 49 5.372 -5.332 5.844 1.00 41.00 H new ATOM 0 HA HIS A 49 5.720 -4.068 3.330 1.00 2.14 H new ATOM 0 HB2 HIS A 49 4.930 -6.370 3.535 1.00 61.33 H new ATOM 0 HB3 HIS A 49 3.527 -5.859 4.453 1.00 61.33 H new ATOM 0 HD2 HIS A 49 1.316 -5.222 2.950 1.00 52.21 H new ATOM 0 HE1 HIS A 49 3.217 -5.247 -0.826 1.00 32.24 H new ATOM 0 HE2 HIS A 49 0.960 -5.040 0.359 1.00 72.12 H new ATOM 721 N LYS A 50 4.118 -2.180 3.112 1.00 61.13 N ATOM 722 CA LYS A 50 3.300 -0.961 2.985 1.00 70.43 C ATOM 723 C LYS A 50 2.707 -0.823 1.544 1.00 21.53 C ATOM 724 O LYS A 50 3.430 -1.000 0.563 1.00 22.25 O ATOM 725 CB LYS A 50 4.162 0.289 3.301 1.00 2.55 C ATOM 726 CG LYS A 50 4.601 0.464 4.770 1.00 52.44 C ATOM 727 CD LYS A 50 5.384 1.785 4.966 1.00 44.13 C ATOM 728 CE LYS A 50 5.744 2.068 6.430 1.00 62.45 C ATOM 729 NZ LYS A 50 6.436 3.372 6.578 1.00 71.51 N ATOM 0 H LYS A 50 4.812 -2.280 2.372 1.00 61.13 H new ATOM 0 HA LYS A 50 2.477 -1.036 3.695 1.00 70.43 H new ATOM 0 HB2 LYS A 50 5.056 0.254 2.679 1.00 2.55 H new ATOM 0 HB3 LYS A 50 3.601 1.175 3.004 1.00 2.55 H new ATOM 0 HG2 LYS A 50 3.724 0.458 5.418 1.00 52.44 H new ATOM 0 HG3 LYS A 50 5.224 -0.379 5.069 1.00 52.44 H new ATOM 0 HD2 LYS A 50 6.299 1.747 4.375 1.00 44.13 H new ATOM 0 HD3 LYS A 50 4.789 2.612 4.579 1.00 44.13 H new ATOM 0 HE2 LYS A 50 4.838 2.065 7.036 1.00 62.45 H new ATOM 0 HE3 LYS A 50 6.383 1.271 6.809 1.00 62.45 H new ATOM 0 HZ1 LYS A 50 6.665 3.532 7.580 1.00 71.51 H new ATOM 0 HZ2 LYS A 50 7.313 3.365 6.019 1.00 71.51 H new ATOM 0 HZ3 LYS A 50 5.816 4.135 6.239 1.00 71.51 H new ATOM 743 N TRP A 51 1.400 -0.506 1.384 1.00 25.12 N ATOM 744 CA TRP A 51 0.382 -0.459 2.473 1.00 0.44 C ATOM 745 C TRP A 51 -0.768 -1.450 2.203 1.00 1.12 C ATOM 746 O TRP A 51 -0.978 -1.896 1.070 1.00 41.55 O ATOM 747 CB TRP A 51 -0.208 0.978 2.627 1.00 10.50 C ATOM 748 CG TRP A 51 0.769 2.015 3.128 1.00 1.43 C ATOM 749 CD1 TRP A 51 1.669 2.734 2.391 1.00 22.34 C ATOM 750 CD2 TRP A 51 0.923 2.457 4.483 1.00 51.42 C ATOM 751 NE1 TRP A 51 2.386 3.563 3.209 1.00 11.23 N ATOM 752 CE2 TRP A 51 1.939 3.424 4.494 1.00 43.23 C ATOM 753 CE3 TRP A 51 0.299 2.123 5.688 1.00 60.22 C ATOM 754 CZ2 TRP A 51 2.346 4.064 5.662 1.00 14.52 C ATOM 755 CZ3 TRP A 51 0.699 2.758 6.847 1.00 54.52 C ATOM 756 CH2 TRP A 51 1.714 3.721 6.827 1.00 43.31 C ATOM 0 H TRP A 51 1.009 -0.269 0.472 1.00 25.12 H new ATOM 0 HA TRP A 51 0.887 -0.741 3.397 1.00 0.44 H new ATOM 0 HB2 TRP A 51 -0.596 1.302 1.661 1.00 10.50 H new ATOM 0 HB3 TRP A 51 -1.055 0.936 3.312 1.00 10.50 H new ATOM 0 HD1 TRP A 51 1.795 2.658 1.321 1.00 22.34 H new ATOM 0 HE1 TRP A 51 3.135 4.186 2.908 1.00 11.23 H new ATOM 0 HE3 TRP A 51 -0.484 1.380 5.712 1.00 60.22 H new ATOM 0 HZ2 TRP A 51 3.132 4.804 5.649 1.00 14.52 H new ATOM 0 HZ3 TRP A 51 0.221 2.508 7.783 1.00 54.52 H new ATOM 0 HH2 TRP A 51 2.005 4.203 7.749 1.00 43.31 H new ATOM 767 N VAL A 52 -1.502 -1.773 3.277 1.00 32.41 N ATOM 768 CA VAL A 52 -2.766 -2.542 3.224 1.00 35.32 C ATOM 769 C VAL A 52 -3.861 -1.773 3.982 1.00 63.23 C ATOM 770 O VAL A 52 -3.589 -1.150 5.008 1.00 44.33 O ATOM 771 CB VAL A 52 -2.618 -4.006 3.799 1.00 44.13 C ATOM 772 CG1 VAL A 52 -1.714 -4.880 2.893 1.00 24.11 C ATOM 773 CG2 VAL A 52 -2.095 -3.998 5.257 1.00 10.22 C ATOM 0 H VAL A 52 -1.235 -1.506 4.225 1.00 32.41 H new ATOM 0 HA VAL A 52 -3.043 -2.651 2.175 1.00 35.32 H new ATOM 0 HB VAL A 52 -3.614 -4.449 3.808 1.00 44.13 H new ATOM 0 HG11 VAL A 52 -1.633 -5.881 3.317 1.00 24.11 H new ATOM 0 HG12 VAL A 52 -2.150 -4.942 1.896 1.00 24.11 H new ATOM 0 HG13 VAL A 52 -0.722 -4.432 2.828 1.00 24.11 H new ATOM 0 HG21 VAL A 52 -2.007 -5.023 5.617 1.00 10.22 H new ATOM 0 HG22 VAL A 52 -1.118 -3.516 5.290 1.00 10.22 H new ATOM 0 HG23 VAL A 52 -2.792 -3.450 5.891 1.00 10.22 H new ATOM 783 N ILE A 53 -5.097 -1.796 3.470 1.00 35.35 N ATOM 784 CA ILE A 53 -6.223 -1.034 4.075 1.00 43.54 C ATOM 785 C ILE A 53 -7.220 -1.969 4.800 1.00 24.13 C ATOM 786 O ILE A 53 -7.124 -3.199 4.678 1.00 32.02 O ATOM 787 CB ILE A 53 -6.960 -0.153 3.000 1.00 14.42 C ATOM 788 CG1 ILE A 53 -7.599 -1.039 1.882 1.00 13.44 C ATOM 789 CG2 ILE A 53 -5.985 0.892 2.399 1.00 71.31 C ATOM 790 CD1 ILE A 53 -8.387 -0.280 0.831 1.00 41.31 C ATOM 0 H ILE A 53 -5.354 -2.330 2.640 1.00 35.35 H new ATOM 0 HA ILE A 53 -5.795 -0.365 4.822 1.00 43.54 H new ATOM 0 HB ILE A 53 -7.772 0.381 3.495 1.00 14.42 H new ATOM 0 HG12 ILE A 53 -6.806 -1.598 1.386 1.00 13.44 H new ATOM 0 HG13 ILE A 53 -8.258 -1.769 2.351 1.00 13.44 H new ATOM 0 HG21 ILE A 53 -6.509 1.494 1.657 1.00 71.31 H new ATOM 0 HG22 ILE A 53 -5.611 1.539 3.192 1.00 71.31 H new ATOM 0 HG23 ILE A 53 -5.149 0.379 1.925 1.00 71.31 H new ATOM 0 HD11 ILE A 53 -8.790 -0.982 0.101 1.00 41.31 H new ATOM 0 HD12 ILE A 53 -9.207 0.257 1.308 1.00 41.31 H new ATOM 0 HD13 ILE A 53 -7.732 0.431 0.328 1.00 41.31 H new ATOM 802 N GLN A 54 -8.135 -1.372 5.601 1.00 74.41 N ATOM 803 CA GLN A 54 -9.148 -2.117 6.398 1.00 5.50 C ATOM 804 C GLN A 54 -9.908 -3.208 5.588 1.00 63.21 C ATOM 805 O GLN A 54 -9.823 -4.393 5.918 1.00 62.23 O ATOM 806 CB GLN A 54 -10.160 -1.115 7.036 1.00 60.31 C ATOM 807 CG GLN A 54 -11.080 -1.741 8.105 1.00 22.10 C ATOM 808 CD GLN A 54 -12.149 -0.800 8.660 1.00 2.33 C ATOM 809 OE1 GLN A 54 -12.644 0.085 7.974 1.00 64.32 O ATOM 810 NE2 GLN A 54 -12.517 -0.979 9.913 1.00 42.31 N ATOM 0 H GLN A 54 -8.194 -0.360 5.715 1.00 74.41 H new ATOM 0 HA GLN A 54 -8.599 -2.648 7.176 1.00 5.50 H new ATOM 0 HB2 GLN A 54 -9.605 -0.293 7.487 1.00 60.31 H new ATOM 0 HB3 GLN A 54 -10.778 -0.687 6.246 1.00 60.31 H new ATOM 0 HG2 GLN A 54 -11.572 -2.614 7.675 1.00 22.10 H new ATOM 0 HG3 GLN A 54 -10.464 -2.097 8.931 1.00 22.10 H new ATOM 0 HE21 GLN A 54 -12.093 -1.722 10.468 1.00 42.31 H new ATOM 0 HE22 GLN A 54 -13.226 -0.374 10.328 1.00 42.31 H new ATOM 819 N GLU A 55 -10.574 -2.827 4.481 1.00 14.30 N ATOM 820 CA GLU A 55 -11.431 -3.770 3.700 1.00 31.44 C ATOM 821 C GLU A 55 -10.615 -4.653 2.715 1.00 63.12 C ATOM 822 O GLU A 55 -11.187 -5.408 1.918 1.00 34.11 O ATOM 823 CB GLU A 55 -12.551 -2.988 2.964 1.00 22.14 C ATOM 824 CG GLU A 55 -13.481 -2.178 3.898 1.00 70.03 C ATOM 825 CD GLU A 55 -14.145 -3.034 5.000 1.00 34.02 C ATOM 826 OE1 GLU A 55 -15.159 -3.708 4.719 1.00 62.32 O ATOM 827 OE2 GLU A 55 -13.645 -3.054 6.149 1.00 53.11 O ATOM 0 H GLU A 55 -10.542 -1.881 4.101 1.00 14.30 H new ATOM 0 HA GLU A 55 -11.888 -4.458 4.411 1.00 31.44 H new ATOM 0 HB2 GLU A 55 -12.092 -2.307 2.248 1.00 22.14 H new ATOM 0 HB3 GLU A 55 -13.154 -3.693 2.392 1.00 22.14 H new ATOM 0 HG2 GLU A 55 -12.906 -1.379 4.366 1.00 70.03 H new ATOM 0 HG3 GLU A 55 -14.259 -1.703 3.300 1.00 70.03 H new ATOM 834 N GLU A 56 -9.281 -4.561 2.801 1.00 40.20 N ATOM 835 CA GLU A 56 -8.335 -5.433 2.072 1.00 62.10 C ATOM 836 C GLU A 56 -7.961 -6.678 2.937 1.00 63.23 C ATOM 837 O GLU A 56 -7.386 -7.662 2.451 1.00 31.04 O ATOM 838 CB GLU A 56 -7.102 -4.566 1.697 1.00 51.44 C ATOM 839 CG GLU A 56 -6.039 -5.244 0.819 1.00 5.34 C ATOM 840 CD GLU A 56 -5.206 -4.243 0.003 1.00 64.41 C ATOM 841 OE1 GLU A 56 -4.217 -3.712 0.522 1.00 53.13 O ATOM 842 OE2 GLU A 56 -5.571 -3.957 -1.160 1.00 32.13 O ATOM 0 H GLU A 56 -8.816 -3.868 3.388 1.00 40.20 H new ATOM 0 HA GLU A 56 -8.781 -5.830 1.160 1.00 62.10 H new ATOM 0 HB2 GLU A 56 -7.455 -3.673 1.180 1.00 51.44 H new ATOM 0 HB3 GLU A 56 -6.624 -4.233 2.618 1.00 51.44 H new ATOM 0 HG2 GLU A 56 -5.374 -5.831 1.452 1.00 5.34 H new ATOM 0 HG3 GLU A 56 -6.528 -5.941 0.138 1.00 5.34 H new ATOM 849 N ILE A 57 -8.348 -6.619 4.229 1.00 61.41 N ATOM 850 CA ILE A 57 -8.162 -7.701 5.222 1.00 21.43 C ATOM 851 C ILE A 57 -9.554 -8.203 5.706 1.00 11.32 C ATOM 852 O ILE A 57 -10.459 -7.390 5.921 1.00 72.34 O ATOM 853 CB ILE A 57 -7.309 -7.185 6.447 1.00 14.51 C ATOM 854 CG1 ILE A 57 -5.903 -6.674 5.959 1.00 3.43 C ATOM 855 CG2 ILE A 57 -7.169 -8.276 7.535 1.00 41.01 C ATOM 856 CD1 ILE A 57 -5.008 -6.080 7.042 1.00 22.52 C ATOM 0 H ILE A 57 -8.810 -5.798 4.621 1.00 61.41 H new ATOM 0 HA ILE A 57 -7.624 -8.526 4.755 1.00 21.43 H new ATOM 0 HB ILE A 57 -7.836 -6.346 6.901 1.00 14.51 H new ATOM 0 HG12 ILE A 57 -5.376 -7.506 5.492 1.00 3.43 H new ATOM 0 HG13 ILE A 57 -6.058 -5.921 5.186 1.00 3.43 H new ATOM 0 HG21 ILE A 57 -6.577 -7.889 8.364 1.00 41.01 H new ATOM 0 HG22 ILE A 57 -8.158 -8.559 7.896 1.00 41.01 H new ATOM 0 HG23 ILE A 57 -6.674 -9.150 7.112 1.00 41.01 H new ATOM 0 HD11 ILE A 57 -4.065 -5.760 6.599 1.00 22.52 H new ATOM 0 HD12 ILE A 57 -5.506 -5.223 7.496 1.00 22.52 H new ATOM 0 HD13 ILE A 57 -4.813 -6.833 7.806 1.00 22.52 H new ATOM 868 N LYS A 58 -9.713 -9.534 5.887 1.00 34.15 N ATOM 869 CA LYS A 58 -11.019 -10.152 6.262 1.00 3.23 C ATOM 870 C LYS A 58 -11.420 -9.860 7.724 1.00 32.15 C ATOM 871 O LYS A 58 -12.600 -9.675 8.026 1.00 25.30 O ATOM 872 CB LYS A 58 -10.979 -11.688 6.017 1.00 5.34 C ATOM 873 CG LYS A 58 -10.077 -12.508 6.967 1.00 73.10 C ATOM 874 CD LYS A 58 -9.805 -13.941 6.449 1.00 64.33 C ATOM 875 CE LYS A 58 -11.073 -14.751 6.128 1.00 51.23 C ATOM 876 NZ LYS A 58 -10.736 -16.017 5.424 1.00 23.41 N ATOM 0 H LYS A 58 -8.955 -10.208 5.781 1.00 34.15 H new ATOM 0 HA LYS A 58 -11.778 -9.697 5.625 1.00 3.23 H new ATOM 0 HB2 LYS A 58 -11.996 -12.073 6.093 1.00 5.34 H new ATOM 0 HB3 LYS A 58 -10.647 -11.863 4.994 1.00 5.34 H new ATOM 0 HG2 LYS A 58 -9.128 -11.988 7.098 1.00 73.10 H new ATOM 0 HG3 LYS A 58 -10.548 -12.565 7.948 1.00 73.10 H new ATOM 0 HD2 LYS A 58 -9.191 -13.879 5.551 1.00 64.33 H new ATOM 0 HD3 LYS A 58 -9.223 -14.480 7.197 1.00 64.33 H new ATOM 0 HE2 LYS A 58 -11.608 -14.976 7.051 1.00 51.23 H new ATOM 0 HE3 LYS A 58 -11.743 -14.154 5.509 1.00 51.23 H new ATOM 0 HZ1 LYS A 58 -11.609 -16.544 5.220 1.00 23.41 H new ATOM 0 HZ2 LYS A 58 -10.247 -15.799 4.533 1.00 23.41 H new ATOM 0 HZ3 LYS A 58 -10.116 -16.595 6.027 1.00 23.41 H new ATOM 890 N ASP A 59 -10.417 -9.824 8.615 1.00 71.44 N ATOM 891 CA ASP A 59 -10.617 -9.664 10.071 1.00 63.04 C ATOM 892 C ASP A 59 -11.041 -8.218 10.462 1.00 53.43 C ATOM 893 O ASP A 59 -11.410 -7.980 11.621 1.00 42.44 O ATOM 894 CB ASP A 59 -9.315 -10.091 10.788 1.00 14.52 C ATOM 895 CG ASP A 59 -9.443 -10.150 12.321 1.00 22.41 C ATOM 896 OD1 ASP A 59 -10.061 -11.110 12.839 1.00 5.50 O ATOM 897 OD2 ASP A 59 -8.951 -9.235 13.010 1.00 1.23 O ATOM 0 H ASP A 59 -9.436 -9.905 8.347 1.00 71.44 H new ATOM 0 HA ASP A 59 -11.442 -10.302 10.387 1.00 63.04 H new ATOM 0 HB2 ASP A 59 -9.013 -11.071 10.420 1.00 14.52 H new ATOM 0 HB3 ASP A 59 -8.520 -9.393 10.525 1.00 14.52 H new ATOM 902 N ALA A 60 -10.985 -7.279 9.480 1.00 63.14 N ATOM 903 CA ALA A 60 -11.420 -5.861 9.621 1.00 13.22 C ATOM 904 C ALA A 60 -12.628 -5.646 10.565 1.00 55.14 C ATOM 905 O ALA A 60 -12.498 -4.948 11.563 1.00 12.44 O ATOM 906 CB ALA A 60 -11.743 -5.304 8.233 1.00 52.04 C ATOM 0 H ALA A 60 -10.629 -7.490 8.548 1.00 63.14 H new ATOM 0 HA ALA A 60 -10.590 -5.329 10.086 1.00 13.22 H new ATOM 0 HB1 ALA A 60 -12.063 -4.266 8.323 1.00 52.04 H new ATOM 0 HB2 ALA A 60 -10.854 -5.357 7.604 1.00 52.04 H new ATOM 0 HB3 ALA A 60 -12.542 -5.892 7.782 1.00 52.04 H new ATOM 912 N GLY A 61 -13.802 -6.212 10.212 1.00 2.22 N ATOM 913 CA GLY A 61 -14.954 -6.280 11.137 1.00 72.31 C ATOM 914 C GLY A 61 -15.553 -4.924 11.539 1.00 74.33 C ATOM 915 O GLY A 61 -16.205 -4.832 12.585 1.00 12.44 O ATOM 0 H GLY A 61 -13.977 -6.627 9.297 1.00 2.22 H new ATOM 0 HA2 GLY A 61 -15.736 -6.881 10.674 1.00 72.31 H new ATOM 0 HA3 GLY A 61 -14.643 -6.804 12.041 1.00 72.31 H new ATOM 919 N ASP A 62 -15.274 -3.878 10.725 1.00 74.23 N ATOM 920 CA ASP A 62 -15.626 -2.458 10.997 1.00 71.30 C ATOM 921 C ASP A 62 -14.754 -1.821 12.141 1.00 24.41 C ATOM 922 O ASP A 62 -14.855 -0.615 12.405 1.00 51.23 O ATOM 923 CB ASP A 62 -17.163 -2.307 11.264 1.00 70.05 C ATOM 924 CG ASP A 62 -17.662 -0.850 11.311 1.00 31.22 C ATOM 925 OD1 ASP A 62 -17.682 -0.193 10.252 1.00 64.43 O ATOM 926 OD2 ASP A 62 -18.032 -0.352 12.403 1.00 34.42 O ATOM 0 H ASP A 62 -14.786 -3.998 9.838 1.00 74.23 H new ATOM 0 HA ASP A 62 -15.387 -1.889 10.099 1.00 71.30 H new ATOM 0 HB2 ASP A 62 -17.709 -2.840 10.485 1.00 70.05 H new ATOM 0 HB3 ASP A 62 -17.404 -2.791 12.210 1.00 70.05 H new ATOM 931 N LYS A 63 -13.860 -2.622 12.773 1.00 35.42 N ATOM 932 CA LYS A 63 -12.973 -2.160 13.877 1.00 51.24 C ATOM 933 C LYS A 63 -11.538 -1.843 13.368 1.00 74.34 C ATOM 934 O LYS A 63 -11.167 -2.201 12.243 1.00 52.03 O ATOM 935 CB LYS A 63 -12.965 -3.199 15.065 1.00 14.30 C ATOM 936 CG LYS A 63 -12.657 -4.685 14.714 1.00 72.32 C ATOM 937 CD LYS A 63 -11.160 -4.982 14.434 1.00 44.50 C ATOM 938 CE LYS A 63 -10.265 -4.872 15.681 1.00 61.13 C ATOM 939 NZ LYS A 63 -10.503 -5.977 16.641 1.00 52.11 N ATOM 0 H LYS A 63 -13.732 -3.605 12.534 1.00 35.42 H new ATOM 0 HA LYS A 63 -13.379 -1.225 14.263 1.00 51.24 H new ATOM 0 HB2 LYS A 63 -12.230 -2.867 15.798 1.00 14.30 H new ATOM 0 HB3 LYS A 63 -13.940 -3.163 15.551 1.00 14.30 H new ATOM 0 HG2 LYS A 63 -12.992 -5.317 15.537 1.00 72.32 H new ATOM 0 HG3 LYS A 63 -13.241 -4.967 13.838 1.00 72.32 H new ATOM 0 HD2 LYS A 63 -11.069 -5.986 14.020 1.00 44.50 H new ATOM 0 HD3 LYS A 63 -10.797 -4.290 13.675 1.00 44.50 H new ATOM 0 HE2 LYS A 63 -9.218 -4.877 15.376 1.00 61.13 H new ATOM 0 HE3 LYS A 63 -10.449 -3.918 16.175 1.00 61.13 H new ATOM 0 HZ1 LYS A 63 -9.879 -5.862 17.465 1.00 52.11 H new ATOM 0 HZ2 LYS A 63 -11.495 -5.958 16.953 1.00 52.11 H new ATOM 0 HZ3 LYS A 63 -10.303 -6.887 16.179 1.00 52.11 H new ATOM 953 N THR A 64 -10.738 -1.190 14.227 1.00 41.30 N ATOM 954 CA THR A 64 -9.340 -0.818 13.913 1.00 5.31 C ATOM 955 C THR A 64 -8.373 -1.937 14.355 1.00 55.24 C ATOM 956 O THR A 64 -8.316 -2.276 15.544 1.00 23.13 O ATOM 957 CB THR A 64 -8.938 0.522 14.621 1.00 41.04 C ATOM 958 OG1 THR A 64 -9.876 1.554 14.271 1.00 33.25 O ATOM 959 CG2 THR A 64 -7.502 0.972 14.250 1.00 41.52 C ATOM 0 H THR A 64 -11.038 -0.903 15.159 1.00 41.30 H new ATOM 0 HA THR A 64 -9.270 -0.680 12.834 1.00 5.31 H new ATOM 0 HB THR A 64 -8.958 0.345 15.696 1.00 41.04 H new ATOM 0 HG1 THR A 64 -9.624 2.390 14.716 1.00 33.25 H new ATOM 0 HG21 THR A 64 -7.269 1.904 14.764 1.00 41.52 H new ATOM 0 HG22 THR A 64 -6.790 0.203 14.552 1.00 41.52 H new ATOM 0 HG23 THR A 64 -7.436 1.125 13.173 1.00 41.52 H new ATOM 967 N LEU A 65 -7.631 -2.508 13.396 1.00 60.32 N ATOM 968 CA LEU A 65 -6.635 -3.571 13.666 1.00 1.44 C ATOM 969 C LEU A 65 -5.373 -2.965 14.350 1.00 1.44 C ATOM 970 O LEU A 65 -4.685 -2.118 13.776 1.00 12.31 O ATOM 971 CB LEU A 65 -6.282 -4.284 12.335 1.00 3.51 C ATOM 972 CG LEU A 65 -7.504 -4.794 11.495 1.00 31.20 C ATOM 973 CD1 LEU A 65 -7.047 -5.398 10.153 1.00 73.23 C ATOM 974 CD2 LEU A 65 -8.380 -5.788 12.295 1.00 21.12 C ATOM 0 H LEU A 65 -7.699 -2.251 12.411 1.00 60.32 H new ATOM 0 HA LEU A 65 -7.052 -4.308 14.352 1.00 1.44 H new ATOM 0 HB2 LEU A 65 -5.701 -3.598 11.719 1.00 3.51 H new ATOM 0 HB3 LEU A 65 -5.638 -5.134 12.559 1.00 3.51 H new ATOM 0 HG LEU A 65 -8.127 -3.928 11.273 1.00 31.20 H new ATOM 0 HD11 LEU A 65 -7.917 -5.742 9.594 1.00 73.23 H new ATOM 0 HD12 LEU A 65 -6.520 -4.640 9.573 1.00 73.23 H new ATOM 0 HD13 LEU A 65 -6.380 -6.239 10.341 1.00 73.23 H new ATOM 0 HD21 LEU A 65 -9.215 -6.116 11.676 1.00 21.12 H new ATOM 0 HD22 LEU A 65 -7.780 -6.651 12.583 1.00 21.12 H new ATOM 0 HD23 LEU A 65 -8.763 -5.297 13.190 1.00 21.12 H new ATOM 986 N GLN A 66 -5.087 -3.413 15.581 1.00 24.34 N ATOM 987 CA GLN A 66 -4.122 -2.745 16.498 1.00 3.42 C ATOM 988 C GLN A 66 -2.745 -3.464 16.525 1.00 55.14 C ATOM 989 O GLN A 66 -2.702 -4.689 16.411 1.00 72.40 O ATOM 990 CB GLN A 66 -4.765 -2.679 17.911 1.00 34.21 C ATOM 991 CG GLN A 66 -6.085 -1.873 17.936 1.00 72.42 C ATOM 992 CD GLN A 66 -6.806 -1.865 19.283 1.00 60.13 C ATOM 993 OE1 GLN A 66 -6.197 -1.971 20.343 1.00 43.10 O ATOM 994 NE2 GLN A 66 -8.119 -1.720 19.250 1.00 30.53 N ATOM 0 H GLN A 66 -5.513 -4.249 15.980 1.00 24.34 H new ATOM 0 HA GLN A 66 -3.918 -1.737 16.137 1.00 3.42 H new ATOM 0 HB2 GLN A 66 -4.957 -3.692 18.265 1.00 34.21 H new ATOM 0 HB3 GLN A 66 -4.057 -2.228 18.606 1.00 34.21 H new ATOM 0 HG2 GLN A 66 -5.871 -0.844 17.648 1.00 72.42 H new ATOM 0 HG3 GLN A 66 -6.758 -2.281 17.182 1.00 72.42 H new ATOM 0 HE21 GLN A 66 -8.600 -1.634 18.355 1.00 30.53 H new ATOM 0 HE22 GLN A 66 -8.651 -1.694 20.120 1.00 30.53 H new ATOM 1003 N PRO A 67 -1.594 -2.702 16.657 1.00 54.03 N ATOM 1004 CA PRO A 67 -0.221 -3.290 16.644 1.00 44.52 C ATOM 1005 C PRO A 67 -0.014 -4.463 17.654 1.00 53.14 C ATOM 1006 O PRO A 67 -0.242 -4.314 18.854 1.00 41.14 O ATOM 1007 CB PRO A 67 0.694 -2.080 16.966 1.00 21.23 C ATOM 1008 CG PRO A 67 -0.085 -0.892 16.488 1.00 24.23 C ATOM 1009 CD PRO A 67 -1.534 -1.213 16.788 1.00 21.33 C ATOM 0 HA PRO A 67 -0.002 -3.760 15.685 1.00 44.52 H new ATOM 0 HB2 PRO A 67 0.906 -2.014 18.033 1.00 21.23 H new ATOM 0 HB3 PRO A 67 1.653 -2.159 16.455 1.00 21.23 H new ATOM 0 HG2 PRO A 67 0.230 0.017 17.001 1.00 24.23 H new ATOM 0 HG3 PRO A 67 0.068 -0.725 15.422 1.00 24.23 H new ATOM 0 HD2 PRO A 67 -1.819 -0.886 17.788 1.00 21.33 H new ATOM 0 HD3 PRO A 67 -2.208 -0.721 16.087 1.00 21.33 H new ATOM 1017 N GLY A 68 0.438 -5.615 17.123 1.00 1.22 N ATOM 1018 CA GLY A 68 0.556 -6.879 17.879 1.00 11.52 C ATOM 1019 C GLY A 68 -0.478 -7.941 17.460 1.00 53.42 C ATOM 1020 O GLY A 68 -0.298 -9.133 17.739 1.00 73.25 O ATOM 0 H GLY A 68 0.734 -5.696 16.150 1.00 1.22 H new ATOM 0 HA2 GLY A 68 1.558 -7.284 17.741 1.00 11.52 H new ATOM 0 HA3 GLY A 68 0.441 -6.670 18.942 1.00 11.52 H new ATOM 1024 N ASP A 69 -1.569 -7.506 16.799 1.00 60.51 N ATOM 1025 CA ASP A 69 -2.660 -8.402 16.336 1.00 1.51 C ATOM 1026 C ASP A 69 -2.247 -9.241 15.097 1.00 10.52 C ATOM 1027 O ASP A 69 -1.460 -8.786 14.275 1.00 52.12 O ATOM 1028 CB ASP A 69 -3.914 -7.557 16.008 1.00 74.13 C ATOM 1029 CG ASP A 69 -5.165 -8.410 15.766 1.00 61.45 C ATOM 1030 OD1 ASP A 69 -5.761 -8.894 16.751 1.00 22.44 O ATOM 1031 OD2 ASP A 69 -5.553 -8.618 14.602 1.00 41.25 O ATOM 0 H ASP A 69 -1.724 -6.524 16.569 1.00 60.51 H new ATOM 0 HA ASP A 69 -2.879 -9.103 17.141 1.00 1.51 H new ATOM 0 HB2 ASP A 69 -4.105 -6.867 16.830 1.00 74.13 H new ATOM 0 HB3 ASP A 69 -3.717 -6.952 15.123 1.00 74.13 H new ATOM 1036 N GLN A 70 -2.800 -10.468 14.981 1.00 32.54 N ATOM 1037 CA GLN A 70 -2.576 -11.366 13.822 1.00 13.40 C ATOM 1038 C GLN A 70 -3.885 -11.564 13.001 1.00 14.22 C ATOM 1039 O GLN A 70 -4.898 -12.029 13.530 1.00 62.02 O ATOM 1040 CB GLN A 70 -2.016 -12.733 14.301 1.00 5.12 C ATOM 1041 CG GLN A 70 -0.652 -12.647 15.028 1.00 1.44 C ATOM 1042 CD GLN A 70 -0.099 -14.004 15.475 1.00 2.21 C ATOM 1043 OE1 GLN A 70 -0.345 -15.032 14.850 1.00 50.44 O ATOM 1044 NE2 GLN A 70 0.638 -14.027 16.570 1.00 54.20 N ATOM 0 H GLN A 70 -3.416 -10.867 15.689 1.00 32.54 H new ATOM 0 HA GLN A 70 -1.842 -10.898 13.167 1.00 13.40 H new ATOM 0 HB2 GLN A 70 -2.742 -13.195 14.970 1.00 5.12 H new ATOM 0 HB3 GLN A 70 -1.913 -13.392 13.439 1.00 5.12 H new ATOM 0 HG2 GLN A 70 0.072 -12.171 14.366 1.00 1.44 H new ATOM 0 HG3 GLN A 70 -0.757 -12.003 15.901 1.00 1.44 H new ATOM 0 HE21 GLN A 70 0.830 -13.161 17.074 1.00 54.20 H new ATOM 0 HE22 GLN A 70 1.015 -14.911 16.912 1.00 54.20 H new ATOM 1053 N VAL A 71 -3.813 -11.236 11.696 1.00 43.32 N ATOM 1054 CA VAL A 71 -4.944 -11.292 10.729 1.00 50.31 C ATOM 1055 C VAL A 71 -4.625 -12.237 9.531 1.00 13.05 C ATOM 1056 O VAL A 71 -3.531 -12.800 9.450 1.00 24.32 O ATOM 1057 CB VAL A 71 -5.255 -9.845 10.178 1.00 11.05 C ATOM 1058 CG1 VAL A 71 -5.732 -8.896 11.305 1.00 12.33 C ATOM 1059 CG2 VAL A 71 -4.031 -9.236 9.431 1.00 41.12 C ATOM 0 H VAL A 71 -2.945 -10.915 11.266 1.00 43.32 H new ATOM 0 HA VAL A 71 -5.812 -11.685 11.258 1.00 50.31 H new ATOM 0 HB VAL A 71 -6.067 -9.950 9.459 1.00 11.05 H new ATOM 0 HG11 VAL A 71 -5.936 -7.910 10.888 1.00 12.33 H new ATOM 0 HG12 VAL A 71 -6.641 -9.295 11.756 1.00 12.33 H new ATOM 0 HG13 VAL A 71 -4.955 -8.815 12.065 1.00 12.33 H new ATOM 0 HG21 VAL A 71 -4.285 -8.240 9.067 1.00 41.12 H new ATOM 0 HG22 VAL A 71 -3.185 -9.167 10.115 1.00 41.12 H new ATOM 0 HG23 VAL A 71 -3.765 -9.874 8.588 1.00 41.12 H new ATOM 1069 N ILE A 72 -5.607 -12.417 8.613 1.00 61.33 N ATOM 1070 CA ILE A 72 -5.411 -13.117 7.310 1.00 4.10 C ATOM 1071 C ILE A 72 -5.750 -12.152 6.136 1.00 52.22 C ATOM 1072 O ILE A 72 -6.753 -11.426 6.180 1.00 14.34 O ATOM 1073 CB ILE A 72 -6.290 -14.428 7.211 1.00 1.31 C ATOM 1074 CG1 ILE A 72 -5.896 -15.469 8.309 1.00 12.23 C ATOM 1075 CG2 ILE A 72 -6.243 -15.071 5.793 1.00 3.33 C ATOM 1076 CD1 ILE A 72 -4.493 -16.050 8.182 1.00 72.02 C ATOM 0 H ILE A 72 -6.560 -12.082 8.752 1.00 61.33 H new ATOM 0 HA ILE A 72 -4.365 -13.417 7.244 1.00 4.10 H new ATOM 0 HB ILE A 72 -7.320 -14.121 7.390 1.00 1.31 H new ATOM 0 HG12 ILE A 72 -5.988 -14.994 9.286 1.00 12.23 H new ATOM 0 HG13 ILE A 72 -6.614 -16.288 8.284 1.00 12.23 H new ATOM 0 HG21 ILE A 72 -6.863 -15.967 5.779 1.00 3.33 H new ATOM 0 HG22 ILE A 72 -6.618 -14.359 5.058 1.00 3.33 H new ATOM 0 HG23 ILE A 72 -5.215 -15.337 5.548 1.00 3.33 H new ATOM 0 HD11 ILE A 72 -4.319 -16.760 8.990 1.00 72.02 H new ATOM 0 HD12 ILE A 72 -4.396 -16.560 7.224 1.00 72.02 H new ATOM 0 HD13 ILE A 72 -3.759 -15.246 8.241 1.00 72.02 H new ATOM 1088 N LEU A 73 -4.904 -12.169 5.092 1.00 23.33 N ATOM 1089 CA LEU A 73 -5.006 -11.260 3.924 1.00 34.52 C ATOM 1090 C LEU A 73 -5.883 -11.867 2.795 1.00 30.22 C ATOM 1091 O LEU A 73 -5.587 -12.951 2.293 1.00 51.31 O ATOM 1092 CB LEU A 73 -3.570 -10.978 3.404 1.00 20.03 C ATOM 1093 CG LEU A 73 -2.566 -10.419 4.470 1.00 20.25 C ATOM 1094 CD1 LEU A 73 -1.129 -10.384 3.919 1.00 33.44 C ATOM 1095 CD2 LEU A 73 -3.003 -9.022 4.979 1.00 41.34 C ATOM 0 H LEU A 73 -4.120 -12.819 5.029 1.00 23.33 H new ATOM 0 HA LEU A 73 -5.489 -10.333 4.233 1.00 34.52 H new ATOM 0 HB2 LEU A 73 -3.162 -11.902 2.995 1.00 20.03 H new ATOM 0 HB3 LEU A 73 -3.633 -10.266 2.581 1.00 20.03 H new ATOM 0 HG LEU A 73 -2.579 -11.100 5.321 1.00 20.25 H new ATOM 0 HD11 LEU A 73 -0.456 -9.992 4.682 1.00 33.44 H new ATOM 0 HD12 LEU A 73 -0.819 -11.393 3.646 1.00 33.44 H new ATOM 0 HD13 LEU A 73 -1.093 -9.743 3.038 1.00 33.44 H new ATOM 0 HD21 LEU A 73 -2.286 -8.663 5.717 1.00 41.34 H new ATOM 0 HD22 LEU A 73 -3.042 -8.325 4.142 1.00 41.34 H new ATOM 0 HD23 LEU A 73 -3.989 -9.094 5.437 1.00 41.34 H new ATOM 1107 N GLU A 74 -6.969 -11.162 2.404 1.00 53.11 N ATOM 1108 CA GLU A 74 -7.830 -11.569 1.249 1.00 53.42 C ATOM 1109 C GLU A 74 -7.348 -10.967 -0.085 1.00 14.51 C ATOM 1110 O GLU A 74 -7.918 -11.261 -1.141 1.00 3.22 O ATOM 1111 CB GLU A 74 -9.308 -11.172 1.494 1.00 24.13 C ATOM 1112 CG GLU A 74 -9.978 -11.912 2.656 1.00 40.23 C ATOM 1113 CD GLU A 74 -10.016 -13.449 2.495 1.00 41.34 C ATOM 1114 OE1 GLU A 74 -10.869 -13.957 1.736 1.00 51.24 O ATOM 1115 OE2 GLU A 74 -9.202 -14.155 3.131 1.00 32.12 O ATOM 0 H GLU A 74 -7.277 -10.307 2.866 1.00 53.11 H new ATOM 0 HA GLU A 74 -7.752 -12.654 1.174 1.00 53.42 H new ATOM 0 HB2 GLU A 74 -9.357 -10.100 1.686 1.00 24.13 H new ATOM 0 HB3 GLU A 74 -9.877 -11.359 0.584 1.00 24.13 H new ATOM 0 HG2 GLU A 74 -9.451 -11.668 3.579 1.00 40.23 H new ATOM 0 HG3 GLU A 74 -10.998 -11.545 2.765 1.00 40.23 H new ATOM 1122 N ALA A 75 -6.314 -10.120 -0.038 1.00 43.23 N ATOM 1123 CA ALA A 75 -5.714 -9.515 -1.243 1.00 41.25 C ATOM 1124 C ALA A 75 -4.227 -9.863 -1.351 1.00 25.22 C ATOM 1125 O ALA A 75 -3.611 -10.367 -0.395 1.00 24.12 O ATOM 1126 CB ALA A 75 -5.906 -8.001 -1.226 1.00 54.03 C ATOM 0 H ALA A 75 -5.867 -9.832 0.832 1.00 43.23 H new ATOM 0 HA ALA A 75 -6.221 -9.924 -2.117 1.00 41.25 H new ATOM 0 HB1 ALA A 75 -5.459 -7.567 -2.120 1.00 54.03 H new ATOM 0 HB2 ALA A 75 -6.971 -7.770 -1.204 1.00 54.03 H new ATOM 0 HB3 ALA A 75 -5.426 -7.583 -0.341 1.00 54.03 H new ATOM 1132 N SER A 76 -3.655 -9.585 -2.526 1.00 61.31 N ATOM 1133 CA SER A 76 -2.246 -9.885 -2.815 1.00 50.04 C ATOM 1134 C SER A 76 -1.590 -8.777 -3.663 1.00 44.45 C ATOM 1135 O SER A 76 -2.093 -8.421 -4.736 1.00 65.20 O ATOM 1136 CB SER A 76 -2.172 -11.246 -3.549 1.00 35.40 C ATOM 1137 OG SER A 76 -0.846 -11.590 -3.878 1.00 51.35 O ATOM 0 H SER A 76 -4.152 -9.147 -3.302 1.00 61.31 H new ATOM 0 HA SER A 76 -1.695 -9.935 -1.876 1.00 50.04 H new ATOM 0 HB2 SER A 76 -2.604 -12.023 -2.918 1.00 35.40 H new ATOM 0 HB3 SER A 76 -2.773 -11.202 -4.458 1.00 35.40 H new ATOM 0 HG SER A 76 -0.837 -12.455 -4.339 1.00 51.35 H new ATOM 1143 N HIS A 77 -0.463 -8.220 -3.163 1.00 0.51 N ATOM 1144 CA HIS A 77 0.411 -7.298 -3.925 1.00 63.25 C ATOM 1145 C HIS A 77 1.643 -8.040 -4.520 1.00 35.55 C ATOM 1146 O HIS A 77 2.364 -7.476 -5.354 1.00 14.31 O ATOM 1147 CB HIS A 77 0.910 -6.162 -2.978 1.00 30.31 C ATOM 1148 CG HIS A 77 -0.171 -5.296 -2.355 1.00 12.23 C ATOM 1149 ND1 HIS A 77 -0.184 -3.932 -2.533 1.00 42.41 N ATOM 1150 CD2 HIS A 77 -1.198 -5.631 -1.526 1.00 42.14 C ATOM 1151 CE1 HIS A 77 -1.193 -3.476 -1.815 1.00 32.31 C ATOM 1152 NE2 HIS A 77 -1.835 -4.467 -1.188 1.00 60.05 N ATOM 0 H HIS A 77 -0.133 -8.398 -2.215 1.00 0.51 H new ATOM 0 HA HIS A 77 -0.170 -6.884 -4.749 1.00 63.25 H new ATOM 0 HB2 HIS A 77 1.494 -6.614 -2.176 1.00 30.31 H new ATOM 0 HB3 HIS A 77 1.586 -5.518 -3.540 1.00 30.31 H new ATOM 0 HD2 HIS A 77 -1.460 -6.626 -1.197 1.00 42.14 H new ATOM 0 HE1 HIS A 77 -1.466 -2.434 -1.743 1.00 32.31 H new ATOM 0 HE2 HIS A 77 -2.645 -4.374 -0.575 1.00 60.05 H new ATOM 1160 N MET A 78 1.878 -9.297 -4.075 1.00 11.11 N ATOM 1161 CA MET A 78 3.097 -10.081 -4.426 1.00 63.43 C ATOM 1162 C MET A 78 2.786 -11.592 -4.596 1.00 33.33 C ATOM 1163 O MET A 78 1.632 -12.004 -4.536 1.00 52.41 O ATOM 1164 CB MET A 78 4.197 -9.865 -3.349 1.00 22.21 C ATOM 1165 CG MET A 78 3.817 -10.315 -1.933 1.00 31.52 C ATOM 1166 SD MET A 78 5.186 -10.145 -0.767 1.00 4.22 S ATOM 1167 CE MET A 78 5.552 -8.389 -0.884 1.00 11.32 C ATOM 0 H MET A 78 1.233 -9.799 -3.464 1.00 11.11 H new ATOM 0 HA MET A 78 3.461 -9.718 -5.387 1.00 63.43 H new ATOM 0 HB2 MET A 78 5.095 -10.402 -3.656 1.00 22.21 H new ATOM 0 HB3 MET A 78 4.453 -8.806 -3.321 1.00 22.21 H new ATOM 0 HG2 MET A 78 2.969 -9.726 -1.583 1.00 31.52 H new ATOM 0 HG3 MET A 78 3.493 -11.355 -1.960 1.00 31.52 H new ATOM 0 HE1 MET A 78 6.501 -8.181 -0.389 1.00 11.32 H new ATOM 0 HE2 MET A 78 5.619 -8.101 -1.933 1.00 11.32 H new ATOM 0 HE3 MET A 78 4.758 -7.819 -0.401 1.00 11.32 H new ATOM 1177 N LYS A 79 3.831 -12.415 -4.825 1.00 4.40 N ATOM 1178 CA LYS A 79 3.668 -13.871 -5.048 1.00 50.03 C ATOM 1179 C LYS A 79 3.238 -14.632 -3.764 1.00 54.44 C ATOM 1180 O LYS A 79 4.055 -14.898 -2.872 1.00 51.31 O ATOM 1181 CB LYS A 79 4.972 -14.473 -5.650 1.00 72.03 C ATOM 1182 CG LYS A 79 5.377 -13.936 -7.059 1.00 41.04 C ATOM 1183 CD LYS A 79 4.577 -14.543 -8.255 1.00 72.32 C ATOM 1184 CE LYS A 79 3.126 -14.033 -8.396 1.00 24.22 C ATOM 1185 NZ LYS A 79 3.060 -12.556 -8.550 1.00 73.11 N ATOM 0 H LYS A 79 4.799 -12.097 -4.861 1.00 4.40 H new ATOM 0 HA LYS A 79 2.856 -13.999 -5.763 1.00 50.03 H new ATOM 0 HB2 LYS A 79 5.792 -14.281 -4.958 1.00 72.03 H new ATOM 0 HB3 LYS A 79 4.856 -15.555 -5.713 1.00 72.03 H new ATOM 0 HG2 LYS A 79 5.249 -12.854 -7.069 1.00 41.04 H new ATOM 0 HG3 LYS A 79 6.438 -14.133 -7.214 1.00 41.04 H new ATOM 0 HD2 LYS A 79 5.114 -14.326 -9.179 1.00 72.32 H new ATOM 0 HD3 LYS A 79 4.556 -15.627 -8.145 1.00 72.32 H new ATOM 0 HE2 LYS A 79 2.659 -14.507 -9.259 1.00 24.22 H new ATOM 0 HE3 LYS A 79 2.552 -14.331 -7.519 1.00 24.22 H new ATOM 0 HZ1 LYS A 79 2.096 -12.278 -8.826 1.00 73.11 H new ATOM 0 HZ2 LYS A 79 3.306 -12.102 -7.648 1.00 73.11 H new ATOM 0 HZ3 LYS A 79 3.731 -12.253 -9.285 1.00 73.11 H new ATOM 1199 N GLY A 80 1.930 -14.939 -3.686 1.00 22.33 N ATOM 1200 CA GLY A 80 1.366 -15.787 -2.629 1.00 62.11 C ATOM 1201 C GLY A 80 1.009 -15.041 -1.343 1.00 1.21 C ATOM 1202 O GLY A 80 1.189 -15.567 -0.252 1.00 22.33 O ATOM 0 H GLY A 80 1.237 -14.604 -4.356 1.00 22.33 H new ATOM 0 HA2 GLY A 80 0.470 -16.276 -3.012 1.00 62.11 H new ATOM 0 HA3 GLY A 80 2.082 -16.574 -2.391 1.00 62.11 H new ATOM 1206 N MET A 81 0.471 -13.825 -1.467 1.00 64.33 N ATOM 1207 CA MET A 81 0.104 -12.989 -0.301 1.00 14.53 C ATOM 1208 C MET A 81 -1.333 -13.311 0.212 1.00 3.41 C ATOM 1209 O MET A 81 -1.617 -13.162 1.411 1.00 61.53 O ATOM 1210 CB MET A 81 0.281 -11.502 -0.685 1.00 21.42 C ATOM 1211 CG MET A 81 -0.097 -10.483 0.390 1.00 14.33 C ATOM 1212 SD MET A 81 0.237 -8.789 -0.135 1.00 42.13 S ATOM 1213 CE MET A 81 -0.382 -7.855 1.259 1.00 61.54 C ATOM 0 H MET A 81 0.275 -13.387 -2.367 1.00 64.33 H new ATOM 0 HA MET A 81 0.766 -13.215 0.535 1.00 14.53 H new ATOM 0 HB2 MET A 81 1.323 -11.340 -0.961 1.00 21.42 H new ATOM 0 HB3 MET A 81 -0.318 -11.303 -1.573 1.00 21.42 H new ATOM 0 HG2 MET A 81 -1.155 -10.586 0.631 1.00 14.33 H new ATOM 0 HG3 MET A 81 0.460 -10.696 1.303 1.00 14.33 H new ATOM 0 HE1 MET A 81 -0.290 -6.789 1.052 1.00 61.54 H new ATOM 0 HE2 MET A 81 -1.430 -8.103 1.427 1.00 61.54 H new ATOM 0 HE3 MET A 81 0.197 -8.103 2.149 1.00 61.54 H new ATOM 1223 N LYS A 82 -2.236 -13.763 -0.695 1.00 33.41 N ATOM 1224 CA LYS A 82 -3.585 -14.252 -0.295 1.00 45.41 C ATOM 1225 C LYS A 82 -3.500 -15.526 0.577 1.00 33.34 C ATOM 1226 O LYS A 82 -2.819 -16.492 0.223 1.00 72.41 O ATOM 1227 CB LYS A 82 -4.505 -14.530 -1.523 1.00 12.11 C ATOM 1228 CG LYS A 82 -5.161 -13.275 -2.123 1.00 61.34 C ATOM 1229 CD LYS A 82 -6.309 -13.595 -3.117 1.00 63.33 C ATOM 1230 CE LYS A 82 -7.504 -14.300 -2.433 1.00 31.23 C ATOM 1231 NZ LYS A 82 -8.658 -14.485 -3.353 1.00 11.15 N ATOM 0 H LYS A 82 -2.059 -13.800 -1.699 1.00 33.41 H new ATOM 0 HA LYS A 82 -4.027 -13.447 0.292 1.00 45.41 H new ATOM 0 HB2 LYS A 82 -3.918 -15.023 -2.297 1.00 12.11 H new ATOM 0 HB3 LYS A 82 -5.288 -15.227 -1.224 1.00 12.11 H new ATOM 0 HG2 LYS A 82 -5.552 -12.657 -1.315 1.00 61.34 H new ATOM 0 HG3 LYS A 82 -4.400 -12.686 -2.635 1.00 61.34 H new ATOM 0 HD2 LYS A 82 -6.653 -12.670 -3.580 1.00 63.33 H new ATOM 0 HD3 LYS A 82 -5.927 -14.229 -3.917 1.00 63.33 H new ATOM 0 HE2 LYS A 82 -7.183 -15.272 -2.058 1.00 31.23 H new ATOM 0 HE3 LYS A 82 -7.822 -13.715 -1.570 1.00 31.23 H new ATOM 0 HZ1 LYS A 82 -9.432 -14.961 -2.847 1.00 11.15 H new ATOM 0 HZ2 LYS A 82 -8.984 -13.557 -3.691 1.00 11.15 H new ATOM 0 HZ3 LYS A 82 -8.365 -15.066 -4.164 1.00 11.15 H new ATOM 1245 N GLY A 83 -4.192 -15.498 1.724 1.00 11.14 N ATOM 1246 CA GLY A 83 -4.275 -16.642 2.638 1.00 73.01 C ATOM 1247 C GLY A 83 -3.150 -16.662 3.684 1.00 64.21 C ATOM 1248 O GLY A 83 -3.135 -17.526 4.570 1.00 74.33 O ATOM 0 H GLY A 83 -4.710 -14.680 2.043 1.00 11.14 H new ATOM 0 HA2 GLY A 83 -5.238 -16.622 3.149 1.00 73.01 H new ATOM 0 HA3 GLY A 83 -4.241 -17.565 2.059 1.00 73.01 H new ATOM 1252 N ALA A 84 -2.207 -15.703 3.576 1.00 14.00 N ATOM 1253 CA ALA A 84 -1.040 -15.602 4.478 1.00 50.01 C ATOM 1254 C ALA A 84 -1.416 -14.939 5.822 1.00 23.13 C ATOM 1255 O ALA A 84 -2.280 -14.053 5.872 1.00 11.53 O ATOM 1256 CB ALA A 84 0.098 -14.825 3.789 1.00 71.21 C ATOM 0 H ALA A 84 -2.233 -14.976 2.861 1.00 14.00 H new ATOM 0 HA ALA A 84 -0.696 -16.613 4.697 1.00 50.01 H new ATOM 0 HB1 ALA A 84 0.952 -14.757 4.463 1.00 71.21 H new ATOM 0 HB2 ALA A 84 0.395 -15.346 2.878 1.00 71.21 H new ATOM 0 HB3 ALA A 84 -0.247 -13.822 3.538 1.00 71.21 H new ATOM 1262 N THR A 85 -0.744 -15.377 6.905 1.00 40.45 N ATOM 1263 CA THR A 85 -0.946 -14.819 8.260 1.00 64.04 C ATOM 1264 C THR A 85 -0.086 -13.556 8.434 1.00 3.34 C ATOM 1265 O THR A 85 1.139 -13.631 8.376 1.00 31.22 O ATOM 1266 CB THR A 85 -0.589 -15.857 9.388 1.00 25.14 C ATOM 1267 OG1 THR A 85 -1.353 -17.063 9.201 1.00 11.23 O ATOM 1268 CG2 THR A 85 -0.851 -15.298 10.810 1.00 22.15 C ATOM 0 H THR A 85 -0.049 -16.123 6.868 1.00 40.45 H new ATOM 0 HA THR A 85 -2.003 -14.572 8.359 1.00 64.04 H new ATOM 0 HB THR A 85 0.477 -16.067 9.307 1.00 25.14 H new ATOM 0 HG1 THR A 85 -1.126 -17.706 9.904 1.00 11.23 H new ATOM 0 HG21 THR A 85 -0.589 -16.053 11.552 1.00 22.15 H new ATOM 0 HG22 THR A 85 -0.243 -14.407 10.968 1.00 22.15 H new ATOM 0 HG23 THR A 85 -1.905 -15.041 10.911 1.00 22.15 H new ATOM 1276 N ALA A 86 -0.738 -12.406 8.644 1.00 44.43 N ATOM 1277 CA ALA A 86 -0.062 -11.109 8.832 1.00 33.24 C ATOM 1278 C ALA A 86 -0.133 -10.678 10.304 1.00 35.51 C ATOM 1279 O ALA A 86 -1.038 -11.072 11.024 1.00 72.21 O ATOM 1280 CB ALA A 86 -0.689 -10.046 7.914 1.00 30.30 C ATOM 0 H ALA A 86 -1.755 -12.345 8.689 1.00 44.43 H new ATOM 0 HA ALA A 86 0.989 -11.215 8.562 1.00 33.24 H new ATOM 0 HB1 ALA A 86 -0.182 -9.093 8.062 1.00 30.30 H new ATOM 0 HB2 ALA A 86 -0.584 -10.356 6.874 1.00 30.30 H new ATOM 0 HB3 ALA A 86 -1.746 -9.935 8.155 1.00 30.30 H new ATOM 1286 N GLU A 87 0.842 -9.886 10.745 1.00 22.45 N ATOM 1287 CA GLU A 87 0.863 -9.282 12.084 1.00 70.54 C ATOM 1288 C GLU A 87 0.967 -7.759 11.931 1.00 43.25 C ATOM 1289 O GLU A 87 1.910 -7.259 11.304 1.00 53.24 O ATOM 1290 CB GLU A 87 2.050 -9.833 12.920 1.00 2.22 C ATOM 1291 CG GLU A 87 2.134 -9.284 14.363 1.00 30.05 C ATOM 1292 CD GLU A 87 3.390 -9.759 15.112 1.00 75.21 C ATOM 1293 OE1 GLU A 87 3.392 -10.894 15.635 1.00 4.21 O ATOM 1294 OE2 GLU A 87 4.388 -9.009 15.162 1.00 5.33 O ATOM 0 H GLU A 87 1.653 -9.640 10.178 1.00 22.45 H new ATOM 0 HA GLU A 87 -0.055 -9.536 12.614 1.00 70.54 H new ATOM 0 HB2 GLU A 87 1.973 -10.919 12.963 1.00 2.22 H new ATOM 0 HB3 GLU A 87 2.980 -9.600 12.402 1.00 2.22 H new ATOM 0 HG2 GLU A 87 2.125 -8.194 14.333 1.00 30.05 H new ATOM 0 HG3 GLU A 87 1.248 -9.594 14.917 1.00 30.05 H new ATOM 1301 N ILE A 88 -0.020 -7.038 12.481 1.00 73.42 N ATOM 1302 CA ILE A 88 -0.076 -5.569 12.435 1.00 50.14 C ATOM 1303 C ILE A 88 1.157 -4.965 13.156 1.00 71.44 C ATOM 1304 O ILE A 88 1.264 -5.040 14.374 1.00 41.03 O ATOM 1305 CB ILE A 88 -1.412 -5.016 13.088 1.00 24.44 C ATOM 1306 CG1 ILE A 88 -2.675 -5.777 12.556 1.00 10.23 C ATOM 1307 CG2 ILE A 88 -1.559 -3.483 12.869 1.00 40.41 C ATOM 1308 CD1 ILE A 88 -2.924 -5.657 11.059 1.00 40.34 C ATOM 0 H ILE A 88 -0.807 -7.460 12.974 1.00 73.42 H new ATOM 0 HA ILE A 88 -0.066 -5.268 11.387 1.00 50.14 H new ATOM 0 HB ILE A 88 -1.342 -5.198 14.160 1.00 24.44 H new ATOM 0 HG12 ILE A 88 -2.575 -6.833 12.808 1.00 10.23 H new ATOM 0 HG13 ILE A 88 -3.553 -5.405 13.085 1.00 10.23 H new ATOM 0 HG21 ILE A 88 -2.485 -3.137 13.329 1.00 40.41 H new ATOM 0 HG22 ILE A 88 -0.713 -2.968 13.324 1.00 40.41 H new ATOM 0 HG23 ILE A 88 -1.582 -3.269 11.801 1.00 40.41 H new ATOM 0 HD11 ILE A 88 -3.820 -6.218 10.793 1.00 40.34 H new ATOM 0 HD12 ILE A 88 -3.062 -4.608 10.796 1.00 40.34 H new ATOM 0 HD13 ILE A 88 -2.069 -6.058 10.515 1.00 40.34 H new ATOM 1320 N ASP A 89 2.106 -4.429 12.383 1.00 74.51 N ATOM 1321 CA ASP A 89 3.289 -3.725 12.915 1.00 13.15 C ATOM 1322 C ASP A 89 2.884 -2.306 13.390 1.00 31.10 C ATOM 1323 O ASP A 89 3.351 -1.825 14.430 1.00 21.43 O ATOM 1324 CB ASP A 89 4.381 -3.664 11.816 1.00 51.00 C ATOM 1325 CG ASP A 89 5.649 -2.901 12.243 1.00 0.11 C ATOM 1326 OD1 ASP A 89 6.502 -3.491 12.941 1.00 10.13 O ATOM 1327 OD2 ASP A 89 5.799 -1.713 11.877 1.00 50.41 O ATOM 0 H ASP A 89 2.080 -4.469 11.364 1.00 74.51 H new ATOM 0 HA ASP A 89 3.692 -4.262 13.773 1.00 13.15 H new ATOM 0 HB2 ASP A 89 4.657 -4.680 11.534 1.00 51.00 H new ATOM 0 HB3 ASP A 89 3.964 -3.189 10.928 1.00 51.00 H new ATOM 1332 N SER A 90 1.967 -1.674 12.628 1.00 10.41 N ATOM 1333 CA SER A 90 1.483 -0.303 12.913 1.00 72.15 C ATOM 1334 C SER A 90 0.127 -0.032 12.223 1.00 53.01 C ATOM 1335 O SER A 90 -0.243 -0.705 11.256 1.00 21.20 O ATOM 1336 CB SER A 90 2.521 0.766 12.478 1.00 43.40 C ATOM 1337 OG SER A 90 2.097 2.079 12.830 1.00 70.20 O ATOM 0 H SER A 90 1.542 -2.095 11.802 1.00 10.41 H new ATOM 0 HA SER A 90 1.345 -0.231 13.992 1.00 72.15 H new ATOM 0 HB2 SER A 90 3.481 0.554 12.948 1.00 43.40 H new ATOM 0 HB3 SER A 90 2.674 0.709 11.400 1.00 43.40 H new ATOM 0 HG SER A 90 2.773 2.729 12.544 1.00 70.20 H new ATOM 1343 N ALA A 91 -0.605 0.963 12.749 1.00 33.43 N ATOM 1344 CA ALA A 91 -1.899 1.417 12.197 1.00 31.12 C ATOM 1345 C ALA A 91 -1.939 2.959 12.152 1.00 51.02 C ATOM 1346 O ALA A 91 -1.464 3.616 13.085 1.00 0.31 O ATOM 1347 CB ALA A 91 -3.060 0.868 13.053 1.00 62.01 C ATOM 0 H ALA A 91 -0.315 1.482 13.578 1.00 33.43 H new ATOM 0 HA ALA A 91 -2.009 1.037 11.181 1.00 31.12 H new ATOM 0 HB1 ALA A 91 -4.009 1.207 12.639 1.00 62.01 H new ATOM 0 HB2 ALA A 91 -3.031 -0.222 13.049 1.00 62.01 H new ATOM 0 HB3 ALA A 91 -2.960 1.230 14.076 1.00 62.01 H new ATOM 1353 N GLU A 92 -2.491 3.531 11.061 1.00 13.41 N ATOM 1354 CA GLU A 92 -2.673 5.001 10.928 1.00 35.05 C ATOM 1355 C GLU A 92 -3.878 5.322 10.025 1.00 52.03 C ATOM 1356 O GLU A 92 -4.111 4.637 9.034 1.00 65.02 O ATOM 1357 CB GLU A 92 -1.381 5.678 10.375 1.00 11.45 C ATOM 1358 CG GLU A 92 -1.389 7.226 10.426 1.00 53.31 C ATOM 1359 CD GLU A 92 -1.693 7.789 11.838 1.00 34.30 C ATOM 1360 OE1 GLU A 92 -0.798 7.750 12.712 1.00 24.22 O ATOM 1361 OE2 GLU A 92 -2.830 8.259 12.082 1.00 31.02 O ATOM 0 H GLU A 92 -2.821 3.000 10.255 1.00 13.41 H new ATOM 0 HA GLU A 92 -2.869 5.405 11.921 1.00 35.05 H new ATOM 0 HB2 GLU A 92 -0.525 5.314 10.943 1.00 11.45 H new ATOM 0 HB3 GLU A 92 -1.236 5.363 9.342 1.00 11.45 H new ATOM 0 HG2 GLU A 92 -0.420 7.599 10.094 1.00 53.31 H new ATOM 0 HG3 GLU A 92 -2.133 7.602 9.724 1.00 53.31 H new ATOM 1368 N LYS A 93 -4.630 6.386 10.368 1.00 3.43 N ATOM 1369 CA LYS A 93 -5.833 6.791 9.611 1.00 65.31 C ATOM 1370 C LYS A 93 -5.423 7.910 8.626 1.00 64.24 C ATOM 1371 O LYS A 93 -5.407 9.092 8.985 1.00 23.23 O ATOM 1372 CB LYS A 93 -6.979 7.285 10.570 1.00 60.53 C ATOM 1373 CG LYS A 93 -7.063 6.584 11.959 1.00 44.12 C ATOM 1374 CD LYS A 93 -6.080 7.192 13.000 1.00 12.40 C ATOM 1375 CE LYS A 93 -6.118 6.493 14.367 1.00 12.35 C ATOM 1376 NZ LYS A 93 -5.193 7.136 15.345 1.00 1.24 N ATOM 0 H LYS A 93 -4.425 6.984 11.169 1.00 3.43 H new ATOM 0 HA LYS A 93 -6.227 5.933 9.067 1.00 65.31 H new ATOM 0 HB2 LYS A 93 -6.852 8.355 10.733 1.00 60.53 H new ATOM 0 HB3 LYS A 93 -7.933 7.152 10.061 1.00 60.53 H new ATOM 0 HG2 LYS A 93 -8.082 6.661 12.339 1.00 44.12 H new ATOM 0 HG3 LYS A 93 -6.847 5.522 11.839 1.00 44.12 H new ATOM 0 HD2 LYS A 93 -5.066 7.139 12.603 1.00 12.40 H new ATOM 0 HD3 LYS A 93 -6.315 8.248 13.135 1.00 12.40 H new ATOM 0 HE2 LYS A 93 -7.135 6.517 14.759 1.00 12.35 H new ATOM 0 HE3 LYS A 93 -5.847 5.444 14.246 1.00 12.35 H new ATOM 0 HZ1 LYS A 93 -5.247 6.636 16.255 1.00 1.24 H new ATOM 0 HZ2 LYS A 93 -4.219 7.091 14.983 1.00 1.24 H new ATOM 0 HZ3 LYS A 93 -5.467 8.130 15.480 1.00 1.24 H new ATOM 1390 N THR A 94 -5.067 7.519 7.393 1.00 23.42 N ATOM 1391 CA THR A 94 -4.499 8.439 6.371 1.00 71.01 C ATOM 1392 C THR A 94 -5.099 8.168 4.977 1.00 43.05 C ATOM 1393 O THR A 94 -5.496 7.037 4.675 1.00 23.13 O ATOM 1394 CB THR A 94 -2.932 8.323 6.315 1.00 4.44 C ATOM 1395 OG1 THR A 94 -2.387 9.156 5.266 1.00 34.10 O ATOM 1396 CG2 THR A 94 -2.457 6.866 6.126 1.00 74.05 C ATOM 0 H THR A 94 -5.161 6.557 7.067 1.00 23.42 H new ATOM 0 HA THR A 94 -4.763 9.454 6.667 1.00 71.01 H new ATOM 0 HB THR A 94 -2.562 8.672 7.279 1.00 4.44 H new ATOM 0 HG1 THR A 94 -1.411 9.068 5.252 1.00 34.10 H new ATOM 0 HG21 THR A 94 -1.368 6.840 6.094 1.00 74.05 H new ATOM 0 HG22 THR A 94 -2.810 6.257 6.958 1.00 74.05 H new ATOM 0 HG23 THR A 94 -2.857 6.471 5.192 1.00 74.05 H new ATOM 1404 N THR A 95 -5.130 9.200 4.116 1.00 74.12 N ATOM 1405 CA THR A 95 -5.676 9.078 2.753 1.00 3.24 C ATOM 1406 C THR A 95 -4.652 8.373 1.837 1.00 43.41 C ATOM 1407 O THR A 95 -3.518 8.840 1.686 1.00 1.32 O ATOM 1408 CB THR A 95 -6.050 10.474 2.146 1.00 10.04 C ATOM 1409 OG1 THR A 95 -6.894 11.189 3.061 1.00 74.42 O ATOM 1410 CG2 THR A 95 -6.781 10.342 0.791 1.00 11.13 C ATOM 0 H THR A 95 -4.782 10.132 4.341 1.00 74.12 H new ATOM 0 HA THR A 95 -6.588 8.485 2.816 1.00 3.24 H new ATOM 0 HB THR A 95 -5.119 11.015 1.979 1.00 10.04 H new ATOM 0 HG1 THR A 95 -7.746 10.715 3.158 1.00 74.42 H new ATOM 0 HG21 THR A 95 -7.020 11.334 0.409 1.00 11.13 H new ATOM 0 HG22 THR A 95 -6.138 9.824 0.079 1.00 11.13 H new ATOM 0 HG23 THR A 95 -7.701 9.774 0.928 1.00 11.13 H new ATOM 1418 N VAL A 96 -5.074 7.259 1.222 1.00 14.00 N ATOM 1419 CA VAL A 96 -4.237 6.461 0.312 1.00 71.30 C ATOM 1420 C VAL A 96 -4.757 6.636 -1.132 1.00 0.51 C ATOM 1421 O VAL A 96 -5.964 6.601 -1.380 1.00 3.02 O ATOM 1422 CB VAL A 96 -4.209 4.937 0.724 1.00 33.14 C ATOM 1423 CG1 VAL A 96 -3.493 4.738 2.080 1.00 35.12 C ATOM 1424 CG2 VAL A 96 -5.631 4.327 0.771 1.00 41.45 C ATOM 0 H VAL A 96 -6.014 6.882 1.343 1.00 14.00 H new ATOM 0 HA VAL A 96 -3.210 6.819 0.376 1.00 71.30 H new ATOM 0 HB VAL A 96 -3.645 4.410 -0.046 1.00 33.14 H new ATOM 0 HG11 VAL A 96 -3.489 3.679 2.338 1.00 35.12 H new ATOM 0 HG12 VAL A 96 -2.466 5.097 2.006 1.00 35.12 H new ATOM 0 HG13 VAL A 96 -4.018 5.298 2.854 1.00 35.12 H new ATOM 0 HG21 VAL A 96 -5.567 3.277 1.058 1.00 41.45 H new ATOM 0 HG22 VAL A 96 -6.235 4.867 1.500 1.00 41.45 H new ATOM 0 HG23 VAL A 96 -6.094 4.406 -0.213 1.00 41.45 H new ATOM 1434 N TYR A 97 -3.847 6.863 -2.075 1.00 35.14 N ATOM 1435 CA TYR A 97 -4.189 7.172 -3.471 1.00 20.00 C ATOM 1436 C TYR A 97 -3.802 6.020 -4.421 1.00 54.04 C ATOM 1437 O TYR A 97 -2.789 5.340 -4.227 1.00 73.43 O ATOM 1438 CB TYR A 97 -3.473 8.475 -3.902 1.00 50.11 C ATOM 1439 CG TYR A 97 -3.825 9.710 -3.046 1.00 13.12 C ATOM 1440 CD1 TYR A 97 -4.961 10.481 -3.314 1.00 50.34 C ATOM 1441 CD2 TYR A 97 -3.023 10.099 -1.967 1.00 54.44 C ATOM 1442 CE1 TYR A 97 -5.272 11.591 -2.551 1.00 2.20 C ATOM 1443 CE2 TYR A 97 -3.333 11.211 -1.208 1.00 4.33 C ATOM 1444 CZ TYR A 97 -4.458 11.950 -1.498 1.00 53.44 C ATOM 1445 OH TYR A 97 -4.758 13.067 -0.742 1.00 33.32 O ATOM 0 H TYR A 97 -2.843 6.839 -1.897 1.00 35.14 H new ATOM 0 HA TYR A 97 -5.269 7.304 -3.534 1.00 20.00 H new ATOM 0 HB2 TYR A 97 -2.396 8.314 -3.860 1.00 50.11 H new ATOM 0 HB3 TYR A 97 -3.723 8.686 -4.942 1.00 50.11 H new ATOM 0 HD1 TYR A 97 -5.608 10.204 -4.133 1.00 50.34 H new ATOM 0 HD2 TYR A 97 -2.145 9.519 -1.723 1.00 54.44 H new ATOM 0 HE1 TYR A 97 -6.151 12.176 -2.779 1.00 2.20 H new ATOM 0 HE2 TYR A 97 -2.693 11.501 -0.388 1.00 4.33 H new ATOM 0 HH TYR A 97 -4.084 13.177 -0.039 1.00 33.32 H new ATOM 1455 N MET A 98 -4.642 5.816 -5.441 1.00 10.40 N ATOM 1456 CA MET A 98 -4.349 4.920 -6.569 1.00 24.24 C ATOM 1457 C MET A 98 -3.722 5.775 -7.698 1.00 31.43 C ATOM 1458 O MET A 98 -4.402 6.627 -8.278 1.00 73.33 O ATOM 1459 CB MET A 98 -5.672 4.252 -7.021 1.00 40.42 C ATOM 1460 CG MET A 98 -5.519 3.171 -8.089 1.00 62.24 C ATOM 1461 SD MET A 98 -7.104 2.468 -8.601 1.00 33.30 S ATOM 1462 CE MET A 98 -7.901 3.889 -9.355 1.00 32.11 C ATOM 0 H MET A 98 -5.552 6.271 -5.509 1.00 10.40 H new ATOM 0 HA MET A 98 -3.649 4.131 -6.295 1.00 24.24 H new ATOM 0 HB2 MET A 98 -6.156 3.813 -6.149 1.00 40.42 H new ATOM 0 HB3 MET A 98 -6.340 5.025 -7.401 1.00 40.42 H new ATOM 0 HG2 MET A 98 -5.016 3.594 -8.959 1.00 62.24 H new ATOM 0 HG3 MET A 98 -4.880 2.375 -7.706 1.00 62.24 H new ATOM 0 HE1 MET A 98 -8.738 4.209 -8.734 1.00 32.11 H new ATOM 0 HE2 MET A 98 -7.183 4.704 -9.444 1.00 32.11 H new ATOM 0 HE3 MET A 98 -8.267 3.618 -10.345 1.00 32.11 H new ATOM 1472 N VAL A 99 -2.416 5.571 -7.981 1.00 43.24 N ATOM 1473 CA VAL A 99 -1.627 6.486 -8.851 1.00 32.32 C ATOM 1474 C VAL A 99 -0.961 5.756 -10.042 1.00 70.43 C ATOM 1475 O VAL A 99 -0.556 4.599 -9.938 1.00 72.53 O ATOM 1476 CB VAL A 99 -0.525 7.253 -8.023 1.00 55.31 C ATOM 1477 CG1 VAL A 99 -1.168 8.187 -6.964 1.00 14.22 C ATOM 1478 CG2 VAL A 99 0.488 6.272 -7.363 1.00 22.32 C ATOM 0 H VAL A 99 -1.881 4.781 -7.621 1.00 43.24 H new ATOM 0 HA VAL A 99 -2.342 7.202 -9.256 1.00 32.32 H new ATOM 0 HB VAL A 99 0.033 7.873 -8.724 1.00 55.31 H new ATOM 0 HG11 VAL A 99 -0.384 8.702 -6.409 1.00 14.22 H new ATOM 0 HG12 VAL A 99 -1.801 8.921 -7.463 1.00 14.22 H new ATOM 0 HG13 VAL A 99 -1.771 7.595 -6.275 1.00 14.22 H new ATOM 0 HG21 VAL A 99 1.231 6.839 -6.802 1.00 22.32 H new ATOM 0 HG22 VAL A 99 -0.043 5.601 -6.687 1.00 22.32 H new ATOM 0 HG23 VAL A 99 0.986 5.688 -8.137 1.00 22.32 H new ATOM 1488 N ASP A 100 -0.849 6.469 -11.178 1.00 2.34 N ATOM 1489 CA ASP A 100 -0.211 5.960 -12.415 1.00 21.41 C ATOM 1490 C ASP A 100 1.098 6.743 -12.692 1.00 0.45 C ATOM 1491 O ASP A 100 1.059 7.948 -12.958 1.00 70.12 O ATOM 1492 CB ASP A 100 -1.197 6.131 -13.614 1.00 64.21 C ATOM 1493 CG ASP A 100 -2.483 5.286 -13.501 1.00 51.33 C ATOM 1494 OD1 ASP A 100 -3.168 5.347 -12.462 1.00 74.13 O ATOM 1495 OD2 ASP A 100 -2.821 4.553 -14.452 1.00 61.21 O ATOM 0 H ASP A 100 -1.200 7.422 -11.268 1.00 2.34 H new ATOM 0 HA ASP A 100 0.029 4.904 -12.292 1.00 21.41 H new ATOM 0 HB2 ASP A 100 -1.473 7.182 -13.696 1.00 64.21 H new ATOM 0 HB3 ASP A 100 -0.680 5.864 -14.536 1.00 64.21 H new ATOM 1500 N TYR A 101 2.252 6.052 -12.658 1.00 55.24 N ATOM 1501 CA TYR A 101 3.578 6.669 -12.924 1.00 24.32 C ATOM 1502 C TYR A 101 4.392 5.844 -13.940 1.00 4.42 C ATOM 1503 O TYR A 101 3.961 4.779 -14.386 1.00 21.24 O ATOM 1504 CB TYR A 101 4.376 6.877 -11.597 1.00 42.35 C ATOM 1505 CG TYR A 101 4.643 5.622 -10.741 1.00 74.50 C ATOM 1506 CD1 TYR A 101 5.784 4.828 -10.936 1.00 62.53 C ATOM 1507 CD2 TYR A 101 3.772 5.251 -9.711 1.00 52.31 C ATOM 1508 CE1 TYR A 101 6.033 3.717 -10.150 1.00 21.14 C ATOM 1509 CE2 TYR A 101 4.024 4.144 -8.920 1.00 60.43 C ATOM 1510 CZ TYR A 101 5.151 3.379 -9.141 1.00 13.11 C ATOM 1511 OH TYR A 101 5.398 2.270 -8.352 1.00 34.44 O ATOM 0 H TYR A 101 2.299 5.055 -12.447 1.00 55.24 H new ATOM 0 HA TYR A 101 3.402 7.649 -13.367 1.00 24.32 H new ATOM 0 HB2 TYR A 101 5.336 7.329 -11.846 1.00 42.35 H new ATOM 0 HB3 TYR A 101 3.834 7.597 -10.984 1.00 42.35 H new ATOM 0 HD1 TYR A 101 6.483 5.090 -11.717 1.00 62.53 H new ATOM 0 HD2 TYR A 101 2.885 5.840 -9.530 1.00 52.31 H new ATOM 0 HE1 TYR A 101 6.913 3.116 -10.324 1.00 21.14 H new ATOM 0 HE2 TYR A 101 3.338 3.879 -8.129 1.00 60.43 H new ATOM 0 HH TYR A 101 6.365 2.127 -8.282 1.00 34.44 H new ATOM 1521 N THR A 102 5.568 6.366 -14.320 1.00 51.31 N ATOM 1522 CA THR A 102 6.557 5.630 -15.138 1.00 34.13 C ATOM 1523 C THR A 102 7.850 5.460 -14.322 1.00 72.14 C ATOM 1524 O THR A 102 8.454 6.454 -13.898 1.00 63.44 O ATOM 1525 CB THR A 102 6.867 6.359 -16.493 1.00 41.10 C ATOM 1526 OG1 THR A 102 5.644 6.560 -17.221 1.00 52.12 O ATOM 1527 CG2 THR A 102 7.861 5.564 -17.374 1.00 50.04 C ATOM 0 H THR A 102 5.865 7.310 -14.071 1.00 51.31 H new ATOM 0 HA THR A 102 6.135 4.657 -15.389 1.00 34.13 H new ATOM 0 HB THR A 102 7.330 7.315 -16.251 1.00 41.10 H new ATOM 0 HG1 THR A 102 5.838 7.017 -18.066 1.00 52.12 H new ATOM 0 HG21 THR A 102 8.043 6.109 -18.300 1.00 50.04 H new ATOM 0 HG22 THR A 102 8.801 5.436 -16.837 1.00 50.04 H new ATOM 0 HG23 THR A 102 7.440 4.586 -17.606 1.00 50.04 H new ATOM 1535 N SER A 103 8.245 4.196 -14.087 1.00 2.45 N ATOM 1536 CA SER A 103 9.438 3.854 -13.286 1.00 74.21 C ATOM 1537 C SER A 103 10.731 4.430 -13.916 1.00 51.11 C ATOM 1538 O SER A 103 11.013 4.212 -15.094 1.00 54.53 O ATOM 1539 CB SER A 103 9.543 2.324 -13.111 1.00 72.22 C ATOM 1540 OG SER A 103 9.603 1.657 -14.356 1.00 21.41 O ATOM 0 H SER A 103 7.747 3.381 -14.446 1.00 2.45 H new ATOM 0 HA SER A 103 9.326 4.311 -12.303 1.00 74.21 H new ATOM 0 HB2 SER A 103 10.432 2.085 -12.527 1.00 72.22 H new ATOM 0 HB3 SER A 103 8.684 1.963 -12.546 1.00 72.22 H new ATOM 0 HG SER A 103 8.724 1.691 -14.788 1.00 21.41 H new ATOM 1546 N THR A 104 11.493 5.186 -13.111 1.00 21.14 N ATOM 1547 CA THR A 104 12.678 5.942 -13.581 1.00 32.14 C ATOM 1548 C THR A 104 13.873 5.022 -13.951 1.00 41.41 C ATOM 1549 O THR A 104 14.463 5.165 -15.027 1.00 41.53 O ATOM 1550 CB THR A 104 13.126 6.975 -12.492 1.00 52.04 C ATOM 1551 OG1 THR A 104 13.419 6.283 -11.260 1.00 52.15 O ATOM 1552 CG2 THR A 104 12.038 8.040 -12.237 1.00 22.35 C ATOM 0 H THR A 104 11.310 5.295 -12.113 1.00 21.14 H new ATOM 0 HA THR A 104 12.377 6.462 -14.490 1.00 32.14 H new ATOM 0 HB THR A 104 14.018 7.483 -12.858 1.00 52.04 H new ATOM 0 HG1 THR A 104 13.089 6.810 -10.502 1.00 52.15 H new ATOM 0 HG21 THR A 104 12.384 8.739 -11.476 1.00 22.35 H new ATOM 0 HG22 THR A 104 11.835 8.581 -13.161 1.00 22.35 H new ATOM 0 HG23 THR A 104 11.125 7.553 -11.894 1.00 22.35 H new ATOM 1560 N THR A 105 14.208 4.073 -13.054 1.00 44.43 N ATOM 1561 CA THR A 105 15.371 3.153 -13.241 1.00 2.41 C ATOM 1562 C THR A 105 15.025 1.884 -14.076 1.00 13.22 C ATOM 1563 O THR A 105 15.908 1.075 -14.380 1.00 0.50 O ATOM 1564 CB THR A 105 15.979 2.721 -11.857 1.00 30.04 C ATOM 1565 OG1 THR A 105 17.250 2.067 -12.043 1.00 21.22 O ATOM 1566 CG2 THR A 105 15.044 1.786 -11.060 1.00 25.13 C ATOM 0 H THR A 105 13.694 3.916 -12.187 1.00 44.43 H new ATOM 0 HA THR A 105 16.109 3.723 -13.806 1.00 2.41 H new ATOM 0 HB THR A 105 16.108 3.637 -11.281 1.00 30.04 H new ATOM 0 HG1 THR A 105 17.210 1.493 -12.837 1.00 21.22 H new ATOM 0 HG21 THR A 105 15.515 1.520 -10.114 1.00 25.13 H new ATOM 0 HG22 THR A 105 14.100 2.295 -10.865 1.00 25.13 H new ATOM 0 HG23 THR A 105 14.855 0.881 -11.638 1.00 25.13 H new ATOM 1574 N SER A 106 13.743 1.718 -14.447 1.00 64.53 N ATOM 1575 CA SER A 106 13.259 0.509 -15.171 1.00 53.22 C ATOM 1576 C SER A 106 12.672 0.877 -16.556 1.00 63.22 C ATOM 1577 O SER A 106 13.005 0.252 -17.569 1.00 75.23 O ATOM 1578 CB SER A 106 12.195 -0.230 -14.320 1.00 22.41 C ATOM 1579 OG SER A 106 12.666 -0.495 -13.005 1.00 34.34 O ATOM 0 H SER A 106 13.013 2.405 -14.260 1.00 64.53 H new ATOM 0 HA SER A 106 14.112 -0.150 -15.333 1.00 53.22 H new ATOM 0 HB2 SER A 106 11.288 0.373 -14.267 1.00 22.41 H new ATOM 0 HB3 SER A 106 11.927 -1.168 -14.807 1.00 22.41 H new ATOM 0 HG SER A 106 12.038 -0.122 -12.351 1.00 34.34 H new ATOM 1585 N GLY A 107 11.779 1.885 -16.575 1.00 62.41 N ATOM 1586 CA GLY A 107 11.136 2.363 -17.820 1.00 23.53 C ATOM 1587 C GLY A 107 9.702 1.849 -18.008 1.00 74.31 C ATOM 1588 O GLY A 107 9.010 2.267 -18.941 1.00 42.13 O ATOM 0 H GLY A 107 11.483 2.388 -15.738 1.00 62.41 H new ATOM 0 HA2 GLY A 107 11.125 3.453 -17.818 1.00 23.53 H new ATOM 0 HA3 GLY A 107 11.739 2.052 -18.673 1.00 23.53 H new ATOM 1592 N GLU A 108 9.261 0.941 -17.117 1.00 42.13 N ATOM 1593 CA GLU A 108 7.902 0.351 -17.156 1.00 12.33 C ATOM 1594 C GLU A 108 6.848 1.360 -16.645 1.00 34.41 C ATOM 1595 O GLU A 108 7.013 1.956 -15.578 1.00 51.32 O ATOM 1596 CB GLU A 108 7.851 -0.950 -16.305 1.00 72.22 C ATOM 1597 CG GLU A 108 6.456 -1.623 -16.232 1.00 52.15 C ATOM 1598 CD GLU A 108 6.430 -2.868 -15.326 1.00 73.42 C ATOM 1599 OE1 GLU A 108 6.221 -2.729 -14.098 1.00 5.20 O ATOM 1600 OE2 GLU A 108 6.645 -3.992 -15.834 1.00 30.44 O ATOM 0 H GLU A 108 9.834 0.593 -16.348 1.00 42.13 H new ATOM 0 HA GLU A 108 7.670 0.105 -18.192 1.00 12.33 H new ATOM 0 HB2 GLU A 108 8.563 -1.665 -16.717 1.00 72.22 H new ATOM 0 HB3 GLU A 108 8.181 -0.719 -15.292 1.00 72.22 H new ATOM 0 HG2 GLU A 108 5.729 -0.899 -15.864 1.00 52.15 H new ATOM 0 HG3 GLU A 108 6.143 -1.906 -17.237 1.00 52.15 H new ATOM 1607 N LYS A 109 5.766 1.534 -17.417 1.00 41.14 N ATOM 1608 CA LYS A 109 4.658 2.436 -17.061 1.00 53.14 C ATOM 1609 C LYS A 109 3.718 1.706 -16.062 1.00 41.22 C ATOM 1610 O LYS A 109 2.912 0.850 -16.446 1.00 21.40 O ATOM 1611 CB LYS A 109 3.894 2.932 -18.337 1.00 74.33 C ATOM 1612 CG LYS A 109 4.753 3.755 -19.350 1.00 4.41 C ATOM 1613 CD LYS A 109 5.764 2.893 -20.159 1.00 60.44 C ATOM 1614 CE LYS A 109 6.802 3.730 -20.930 1.00 24.44 C ATOM 1615 NZ LYS A 109 6.205 4.500 -22.052 1.00 13.22 N ATOM 0 H LYS A 109 5.633 1.054 -18.307 1.00 41.14 H new ATOM 0 HA LYS A 109 5.054 3.330 -16.579 1.00 53.14 H new ATOM 0 HB2 LYS A 109 3.483 2.065 -18.854 1.00 74.33 H new ATOM 0 HB3 LYS A 109 3.050 3.544 -18.020 1.00 74.33 H new ATOM 0 HG2 LYS A 109 4.087 4.266 -20.045 1.00 4.41 H new ATOM 0 HG3 LYS A 109 5.300 4.526 -18.807 1.00 4.41 H new ATOM 0 HD2 LYS A 109 6.285 2.221 -19.477 1.00 60.44 H new ATOM 0 HD3 LYS A 109 5.215 2.269 -20.864 1.00 60.44 H new ATOM 0 HE2 LYS A 109 7.289 4.420 -20.241 1.00 24.44 H new ATOM 0 HE3 LYS A 109 7.576 3.070 -21.320 1.00 24.44 H new ATOM 0 HZ1 LYS A 109 6.949 5.044 -22.534 1.00 13.22 H new ATOM 0 HZ2 LYS A 109 5.763 3.844 -22.727 1.00 13.22 H new ATOM 0 HZ3 LYS A 109 5.485 5.152 -21.681 1.00 13.22 H new ATOM 1629 N VAL A 110 3.878 2.041 -14.775 1.00 5.20 N ATOM 1630 CA VAL A 110 3.201 1.357 -13.650 1.00 14.53 C ATOM 1631 C VAL A 110 1.822 2.012 -13.384 1.00 71.12 C ATOM 1632 O VAL A 110 1.742 3.133 -12.870 1.00 73.44 O ATOM 1633 CB VAL A 110 4.094 1.396 -12.356 1.00 34.11 C ATOM 1634 CG1 VAL A 110 3.448 0.617 -11.179 1.00 71.11 C ATOM 1635 CG2 VAL A 110 5.527 0.879 -12.650 1.00 34.02 C ATOM 0 H VAL A 110 4.487 2.803 -14.475 1.00 5.20 H new ATOM 0 HA VAL A 110 3.046 0.312 -13.919 1.00 14.53 H new ATOM 0 HB VAL A 110 4.167 2.439 -12.048 1.00 34.11 H new ATOM 0 HG11 VAL A 110 4.099 0.671 -10.306 1.00 71.11 H new ATOM 0 HG12 VAL A 110 2.481 1.058 -10.938 1.00 71.11 H new ATOM 0 HG13 VAL A 110 3.310 -0.426 -11.465 1.00 71.11 H new ATOM 0 HG21 VAL A 110 6.122 0.917 -11.738 1.00 34.02 H new ATOM 0 HG22 VAL A 110 5.477 -0.150 -13.007 1.00 34.02 H new ATOM 0 HG23 VAL A 110 5.991 1.506 -13.412 1.00 34.02 H new ATOM 1645 N LYS A 111 0.742 1.289 -13.728 1.00 15.34 N ATOM 1646 CA LYS A 111 -0.637 1.847 -13.747 1.00 0.22 C ATOM 1647 C LYS A 111 -1.455 1.401 -12.508 1.00 31.20 C ATOM 1648 O LYS A 111 -1.358 0.243 -12.078 1.00 11.34 O ATOM 1649 CB LYS A 111 -1.387 1.470 -15.071 1.00 2.30 C ATOM 1650 CG LYS A 111 -1.819 -0.014 -15.234 1.00 51.11 C ATOM 1651 CD LYS A 111 -0.652 -1.001 -15.491 1.00 25.13 C ATOM 1652 CE LYS A 111 0.018 -0.796 -16.860 1.00 4.30 C ATOM 1653 NZ LYS A 111 -0.932 -1.009 -17.992 1.00 24.32 N ATOM 0 H LYS A 111 0.791 0.307 -14.000 1.00 15.34 H new ATOM 0 HA LYS A 111 -0.542 2.932 -13.708 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -2.278 2.093 -15.146 1.00 2.30 H new ATOM 0 HB3 LYS A 111 -0.744 1.731 -15.912 1.00 2.30 H new ATOM 0 HG2 LYS A 111 -2.349 -0.325 -14.334 1.00 51.11 H new ATOM 0 HG3 LYS A 111 -2.526 -0.084 -16.061 1.00 51.11 H new ATOM 0 HD2 LYS A 111 0.095 -0.884 -14.706 1.00 25.13 H new ATOM 0 HD3 LYS A 111 -1.026 -2.023 -15.425 1.00 25.13 H new ATOM 0 HE2 LYS A 111 0.425 0.213 -16.915 1.00 4.30 H new ATOM 0 HE3 LYS A 111 0.857 -1.484 -16.958 1.00 4.30 H new ATOM 0 HZ1 LYS A 111 -0.405 -1.028 -18.888 1.00 24.32 H new ATOM 0 HZ2 LYS A 111 -1.429 -1.914 -17.863 1.00 24.32 H new ATOM 0 HZ3 LYS A 111 -1.625 -0.234 -18.014 1.00 24.32 H new ATOM 1667 N ASN A 112 -2.252 2.345 -11.952 1.00 51.05 N ATOM 1668 CA ASN A 112 -3.123 2.121 -10.771 1.00 51.10 C ATOM 1669 C ASN A 112 -2.372 1.498 -9.566 1.00 3.02 C ATOM 1670 O ASN A 112 -2.932 0.681 -8.818 1.00 12.31 O ATOM 1671 CB ASN A 112 -4.384 1.292 -11.163 1.00 21.35 C ATOM 1672 CG ASN A 112 -5.347 2.025 -12.111 1.00 24.03 C ATOM 1673 OD1 ASN A 112 -5.424 3.343 -12.021 1.00 14.41 O flip ATOM 1674 ND2 ASN A 112 -6.032 1.405 -12.920 1.00 60.34 N flip ATOM 0 H ASN A 112 -2.309 3.296 -12.315 1.00 51.05 H new ATOM 0 HA ASN A 112 -3.452 3.103 -10.432 1.00 51.10 H new ATOM 0 HB2 ASN A 112 -4.063 0.364 -11.635 1.00 21.35 H new ATOM 0 HB3 ASN A 112 -4.922 1.019 -10.256 1.00 21.35 H new ATOM 0 HD21 ASN A 112 -5.960 0.389 -12.976 1.00 60.34 H new ATOM 0 HD22 ASN A 112 -6.673 1.906 -13.536 1.00 60.34 H new ATOM 1681 N HIS A 113 -1.108 1.921 -9.379 1.00 64.13 N ATOM 1682 CA HIS A 113 -0.263 1.456 -8.267 1.00 12.04 C ATOM 1683 C HIS A 113 -0.846 1.906 -6.909 1.00 54.52 C ATOM 1684 O HIS A 113 -1.196 3.079 -6.717 1.00 24.33 O ATOM 1685 CB HIS A 113 1.195 1.951 -8.408 1.00 11.42 C ATOM 1686 CG HIS A 113 2.109 1.404 -7.328 1.00 51.04 C ATOM 1687 ND1 HIS A 113 2.716 0.182 -7.465 1.00 32.52 N ATOM 1688 CD2 HIS A 113 2.401 1.902 -6.098 1.00 41.12 C ATOM 1689 CE1 HIS A 113 3.344 -0.045 -6.330 1.00 61.01 C ATOM 1690 NE2 HIS A 113 3.183 0.968 -5.468 1.00 61.34 N ATOM 0 H HIS A 113 -0.647 2.592 -9.993 1.00 64.13 H new ATOM 0 HA HIS A 113 -0.253 0.367 -8.305 1.00 12.04 H new ATOM 0 HB2 HIS A 113 1.580 1.659 -9.385 1.00 11.42 H new ATOM 0 HB3 HIS A 113 1.209 3.040 -8.372 1.00 11.42 H new ATOM 0 HD2 HIS A 113 2.079 2.851 -5.694 1.00 41.12 H new ATOM 0 HE1 HIS A 113 3.917 -0.936 -6.120 1.00 61.01 H new ATOM 0 HE2 HIS A 113 3.568 1.032 -4.525 1.00 61.34 H new ATOM 1698 N LYS A 114 -0.916 0.952 -5.976 1.00 40.42 N ATOM 1699 CA LYS A 114 -1.528 1.155 -4.659 1.00 71.30 C ATOM 1700 C LYS A 114 -0.999 0.106 -3.627 1.00 73.10 C ATOM 1701 O LYS A 114 -0.698 -1.023 -4.003 1.00 22.25 O ATOM 1702 CB LYS A 114 -3.078 1.115 -4.821 1.00 4.23 C ATOM 1703 CG LYS A 114 -3.640 -0.119 -5.564 1.00 34.12 C ATOM 1704 CD LYS A 114 -5.164 -0.011 -5.805 1.00 10.13 C ATOM 1705 CE LYS A 114 -5.742 -1.231 -6.535 1.00 71.40 C ATOM 1706 NZ LYS A 114 -5.599 -2.486 -5.742 1.00 63.20 N ATOM 0 H LYS A 114 -0.547 0.011 -6.114 1.00 40.42 H new ATOM 0 HA LYS A 114 -1.249 2.130 -4.259 1.00 71.30 H new ATOM 0 HB2 LYS A 114 -3.530 1.157 -3.830 1.00 4.23 H new ATOM 0 HB3 LYS A 114 -3.393 2.012 -5.354 1.00 4.23 H new ATOM 0 HG2 LYS A 114 -3.129 -0.229 -6.521 1.00 34.12 H new ATOM 0 HG3 LYS A 114 -3.428 -1.018 -4.985 1.00 34.12 H new ATOM 0 HD2 LYS A 114 -5.671 0.106 -4.847 1.00 10.13 H new ATOM 0 HD3 LYS A 114 -5.372 0.887 -6.388 1.00 10.13 H new ATOM 0 HE2 LYS A 114 -6.797 -1.057 -6.749 1.00 71.40 H new ATOM 0 HE3 LYS A 114 -5.238 -1.350 -7.494 1.00 71.40 H new ATOM 0 HZ1 LYS A 114 -6.092 -3.262 -6.228 1.00 63.20 H new ATOM 0 HZ2 LYS A 114 -4.591 -2.723 -5.646 1.00 63.20 H new ATOM 0 HZ3 LYS A 114 -6.014 -2.349 -4.798 1.00 63.20 H new ATOM 1720 N TRP A 115 -0.865 0.460 -2.319 1.00 71.21 N ATOM 1721 CA TRP A 115 -1.270 1.773 -1.741 1.00 52.11 C ATOM 1722 C TRP A 115 -0.055 2.678 -1.397 1.00 14.21 C ATOM 1723 O TRP A 115 0.952 2.224 -0.848 1.00 25.54 O ATOM 1724 CB TRP A 115 -2.155 1.560 -0.478 1.00 72.15 C ATOM 1725 CG TRP A 115 -3.409 0.758 -0.753 1.00 2.34 C ATOM 1726 CD1 TRP A 115 -3.669 -0.531 -0.377 1.00 32.03 C ATOM 1727 CD2 TRP A 115 -4.555 1.195 -1.495 1.00 51.44 C ATOM 1728 NE1 TRP A 115 -4.894 -0.918 -0.845 1.00 1.10 N ATOM 1729 CE2 TRP A 115 -5.458 0.121 -1.534 1.00 1.15 C ATOM 1730 CE3 TRP A 115 -4.907 2.393 -2.127 1.00 52.15 C ATOM 1731 CZ2 TRP A 115 -6.678 0.199 -2.195 1.00 34.22 C ATOM 1732 CZ3 TRP A 115 -6.117 2.472 -2.779 1.00 52.55 C ATOM 1733 CH2 TRP A 115 -6.995 1.379 -2.807 1.00 32.34 C ATOM 0 H TRP A 115 -0.465 -0.171 -1.624 1.00 71.21 H new ATOM 0 HA TRP A 115 -1.847 2.290 -2.508 1.00 52.11 H new ATOM 0 HB2 TRP A 115 -1.568 1.052 0.287 1.00 72.15 H new ATOM 0 HB3 TRP A 115 -2.436 2.532 -0.072 1.00 72.15 H new ATOM 0 HD1 TRP A 115 -3.004 -1.152 0.205 1.00 32.03 H new ATOM 0 HE1 TRP A 115 -5.319 -1.834 -0.703 1.00 1.10 H new ATOM 0 HE3 TRP A 115 -4.240 3.242 -2.104 1.00 52.15 H new ATOM 0 HZ2 TRP A 115 -7.352 -0.644 -2.224 1.00 34.22 H new ATOM 0 HZ3 TRP A 115 -6.394 3.390 -3.276 1.00 52.55 H new ATOM 0 HH2 TRP A 115 -7.940 1.472 -3.322 1.00 32.34 H new ATOM 1744 N VAL A 116 -0.196 3.968 -1.753 1.00 23.21 N ATOM 1745 CA VAL A 116 0.723 5.067 -1.351 1.00 43.32 C ATOM 1746 C VAL A 116 -0.099 6.138 -0.607 1.00 32.55 C ATOM 1747 O VAL A 116 -1.235 6.403 -0.981 1.00 61.02 O ATOM 1748 CB VAL A 116 1.487 5.722 -2.576 1.00 11.34 C ATOM 1749 CG1 VAL A 116 2.517 4.741 -3.206 1.00 31.24 C ATOM 1750 CG2 VAL A 116 0.495 6.250 -3.649 1.00 32.50 C ATOM 0 H VAL A 116 -0.965 4.290 -2.340 1.00 23.21 H new ATOM 0 HA VAL A 116 1.493 4.642 -0.707 1.00 43.32 H new ATOM 0 HB VAL A 116 2.042 6.575 -2.185 1.00 11.34 H new ATOM 0 HG11 VAL A 116 3.019 5.228 -4.042 1.00 31.24 H new ATOM 0 HG12 VAL A 116 3.255 4.457 -2.456 1.00 31.24 H new ATOM 0 HG13 VAL A 116 2.000 3.850 -3.562 1.00 31.24 H new ATOM 0 HG21 VAL A 116 1.053 6.692 -4.474 1.00 32.50 H new ATOM 0 HG22 VAL A 116 -0.111 5.424 -4.022 1.00 32.50 H new ATOM 0 HG23 VAL A 116 -0.154 7.004 -3.204 1.00 32.50 H new ATOM 1760 N THR A 117 0.455 6.745 0.450 1.00 72.44 N ATOM 1761 CA THR A 117 -0.297 7.707 1.298 1.00 21.42 C ATOM 1762 C THR A 117 -0.039 9.177 0.885 1.00 71.11 C ATOM 1763 O THR A 117 0.746 9.452 -0.031 1.00 20.04 O ATOM 1764 CB THR A 117 0.021 7.525 2.824 1.00 60.14 C ATOM 1765 OG1 THR A 117 1.361 7.947 3.118 1.00 40.11 O ATOM 1766 CG2 THR A 117 -0.163 6.070 3.278 1.00 0.53 C ATOM 0 H THR A 117 1.419 6.594 0.746 1.00 72.44 H new ATOM 0 HA THR A 117 -1.351 7.483 1.135 1.00 21.42 H new ATOM 0 HB THR A 117 -0.687 8.148 3.371 1.00 60.14 H new ATOM 0 HG1 THR A 117 1.539 7.827 4.074 1.00 40.11 H new ATOM 0 HG21 THR A 117 0.067 5.988 4.340 1.00 0.53 H new ATOM 0 HG22 THR A 117 -1.195 5.763 3.106 1.00 0.53 H new ATOM 0 HG23 THR A 117 0.507 5.424 2.711 1.00 0.53 H new ATOM 1774 N GLU A 118 -0.718 10.110 1.580 1.00 74.43 N ATOM 1775 CA GLU A 118 -0.664 11.563 1.290 1.00 43.44 C ATOM 1776 C GLU A 118 0.772 12.148 1.400 1.00 41.15 C ATOM 1777 O GLU A 118 1.267 12.787 0.465 1.00 14.01 O ATOM 1778 CB GLU A 118 -1.613 12.304 2.261 1.00 35.10 C ATOM 1779 CG GLU A 118 -1.756 13.816 1.994 1.00 30.34 C ATOM 1780 CD GLU A 118 -2.649 14.538 3.017 1.00 65.13 C ATOM 1781 OE1 GLU A 118 -3.866 14.261 3.051 1.00 65.33 O ATOM 1782 OE2 GLU A 118 -2.143 15.378 3.793 1.00 10.10 O ATOM 0 H GLU A 118 -1.326 9.878 2.366 1.00 74.43 H new ATOM 0 HA GLU A 118 -0.980 11.707 0.257 1.00 43.44 H new ATOM 0 HB2 GLU A 118 -2.600 11.844 2.205 1.00 35.10 H new ATOM 0 HB3 GLU A 118 -1.252 12.161 3.280 1.00 35.10 H new ATOM 0 HG2 GLU A 118 -0.767 14.273 2.001 1.00 30.34 H new ATOM 0 HG3 GLU A 118 -2.168 13.963 0.996 1.00 30.34 H new ATOM 1789 N ASP A 119 1.421 11.901 2.553 1.00 61.14 N ATOM 1790 CA ASP A 119 2.792 12.392 2.856 1.00 70.42 C ATOM 1791 C ASP A 119 3.861 11.777 1.906 1.00 63.52 C ATOM 1792 O ASP A 119 4.936 12.355 1.700 1.00 60.44 O ATOM 1793 CB ASP A 119 3.120 12.077 4.339 1.00 15.14 C ATOM 1794 CG ASP A 119 4.474 12.641 4.808 1.00 4.11 C ATOM 1795 OD1 ASP A 119 4.561 13.858 5.077 1.00 31.30 O ATOM 1796 OD2 ASP A 119 5.459 11.877 4.896 1.00 4.40 O ATOM 0 H ASP A 119 1.012 11.352 3.310 1.00 61.14 H new ATOM 0 HA ASP A 119 2.819 13.469 2.691 1.00 70.42 H new ATOM 0 HB2 ASP A 119 2.329 12.482 4.971 1.00 15.14 H new ATOM 0 HB3 ASP A 119 3.118 10.996 4.480 1.00 15.14 H new ATOM 1801 N GLU A 120 3.523 10.626 1.290 1.00 24.03 N ATOM 1802 CA GLU A 120 4.427 9.887 0.377 1.00 54.41 C ATOM 1803 C GLU A 120 4.284 10.379 -1.086 1.00 72.23 C ATOM 1804 O GLU A 120 4.926 9.847 -1.997 1.00 13.42 O ATOM 1805 CB GLU A 120 4.142 8.369 0.481 1.00 74.22 C ATOM 1806 CG GLU A 120 4.353 7.793 1.899 1.00 14.20 C ATOM 1807 CD GLU A 120 4.158 6.273 1.982 1.00 31.14 C ATOM 1808 OE1 GLU A 120 3.128 5.774 1.485 1.00 51.45 O ATOM 1809 OE2 GLU A 120 5.010 5.574 2.571 1.00 2.52 O ATOM 0 H GLU A 120 2.614 10.179 1.410 1.00 24.03 H new ATOM 0 HA GLU A 120 5.456 10.078 0.680 1.00 54.41 H new ATOM 0 HB2 GLU A 120 3.115 8.179 0.171 1.00 74.22 H new ATOM 0 HB3 GLU A 120 4.789 7.838 -0.217 1.00 74.22 H new ATOM 0 HG2 GLU A 120 5.360 8.040 2.236 1.00 14.20 H new ATOM 0 HG3 GLU A 120 3.659 8.278 2.586 1.00 14.20 H new ATOM 1816 N LEU A 121 3.440 11.410 -1.289 1.00 52.40 N ATOM 1817 CA LEU A 121 3.297 12.139 -2.566 1.00 63.54 C ATOM 1818 C LEU A 121 3.595 13.640 -2.334 1.00 44.31 C ATOM 1819 O LEU A 121 3.658 14.100 -1.185 1.00 51.33 O ATOM 1820 CB LEU A 121 1.863 11.954 -3.144 1.00 22.02 C ATOM 1821 CG LEU A 121 1.435 10.485 -3.480 1.00 12.40 C ATOM 1822 CD1 LEU A 121 -0.020 10.433 -3.993 1.00 35.31 C ATOM 1823 CD2 LEU A 121 2.402 9.837 -4.497 1.00 61.14 C ATOM 0 H LEU A 121 2.827 11.767 -0.556 1.00 52.40 H new ATOM 0 HA LEU A 121 4.007 11.737 -3.289 1.00 63.54 H new ATOM 0 HB2 LEU A 121 1.150 12.363 -2.428 1.00 22.02 H new ATOM 0 HB3 LEU A 121 1.780 12.551 -4.052 1.00 22.02 H new ATOM 0 HG LEU A 121 1.487 9.908 -2.557 1.00 12.40 H new ATOM 0 HD11 LEU A 121 -0.290 9.401 -4.218 1.00 35.31 H new ATOM 0 HD12 LEU A 121 -0.690 10.824 -3.227 1.00 35.31 H new ATOM 0 HD13 LEU A 121 -0.109 11.037 -4.896 1.00 35.31 H new ATOM 0 HD21 LEU A 121 2.078 8.818 -4.709 1.00 61.14 H new ATOM 0 HD22 LEU A 121 2.402 10.417 -5.420 1.00 61.14 H new ATOM 0 HD23 LEU A 121 3.409 9.818 -4.080 1.00 61.14 H new ATOM 1835 N SER A 122 3.780 14.393 -3.425 1.00 24.31 N ATOM 1836 CA SER A 122 4.077 15.845 -3.375 1.00 71.15 C ATOM 1837 C SER A 122 3.543 16.539 -4.639 1.00 53.05 C ATOM 1838 O SER A 122 3.796 16.071 -5.742 1.00 34.23 O ATOM 1839 CB SER A 122 5.607 16.075 -3.249 1.00 73.35 C ATOM 1840 OG SER A 122 5.938 17.459 -3.210 1.00 34.40 O ATOM 0 H SER A 122 3.730 14.020 -4.373 1.00 24.31 H new ATOM 0 HA SER A 122 3.583 16.273 -2.502 1.00 71.15 H new ATOM 0 HB2 SER A 122 5.973 15.589 -2.344 1.00 73.35 H new ATOM 0 HB3 SER A 122 6.115 15.605 -4.091 1.00 73.35 H new ATOM 0 HG SER A 122 6.909 17.561 -3.129 1.00 34.40 H new ATOM 1846 N ALA A 123 2.805 17.648 -4.477 1.00 21.13 N ATOM 1847 CA ALA A 123 2.249 18.416 -5.615 1.00 23.12 C ATOM 1848 C ALA A 123 3.361 19.172 -6.389 1.00 35.41 C ATOM 1849 O ALA A 123 4.326 19.655 -5.792 1.00 43.30 O ATOM 1850 CB ALA A 123 1.169 19.390 -5.121 1.00 33.41 C ATOM 0 H ALA A 123 2.575 18.040 -3.564 1.00 21.13 H new ATOM 0 HA ALA A 123 1.793 17.709 -6.308 1.00 23.12 H new ATOM 0 HB1 ALA A 123 0.768 19.948 -5.967 1.00 33.41 H new ATOM 0 HB2 ALA A 123 0.366 18.830 -4.642 1.00 33.41 H new ATOM 0 HB3 ALA A 123 1.606 20.084 -4.403 1.00 33.41 H new ATOM 1856 N LYS A 124 3.214 19.254 -7.725 1.00 73.44 N ATOM 1857 CA LYS A 124 4.172 19.963 -8.603 1.00 20.35 C ATOM 1858 C LYS A 124 3.874 21.490 -8.637 1.00 73.10 C ATOM 1859 O LYS A 124 2.827 21.914 -9.136 1.00 2.13 O ATOM 1860 CB LYS A 124 4.125 19.352 -10.036 1.00 71.45 C ATOM 1861 CG LYS A 124 5.088 20.006 -11.058 1.00 34.52 C ATOM 1862 CD LYS A 124 6.581 19.897 -10.647 1.00 4.32 C ATOM 1863 CE LYS A 124 7.526 20.593 -11.649 1.00 3.15 C ATOM 1864 NZ LYS A 124 8.946 20.547 -11.209 1.00 2.44 N ATOM 0 H LYS A 124 2.432 18.833 -8.227 1.00 73.44 H new ATOM 0 HA LYS A 124 5.177 19.835 -8.200 1.00 20.35 H new ATOM 0 HB2 LYS A 124 4.357 18.289 -9.969 1.00 71.45 H new ATOM 0 HB3 LYS A 124 3.107 19.433 -10.416 1.00 71.45 H new ATOM 0 HG2 LYS A 124 4.950 19.534 -12.031 1.00 34.52 H new ATOM 0 HG3 LYS A 124 4.825 21.058 -11.174 1.00 34.52 H new ATOM 0 HD2 LYS A 124 6.715 20.339 -9.660 1.00 4.32 H new ATOM 0 HD3 LYS A 124 6.855 18.845 -10.565 1.00 4.32 H new ATOM 0 HE2 LYS A 124 7.434 20.115 -12.624 1.00 3.15 H new ATOM 0 HE3 LYS A 124 7.220 21.632 -11.773 1.00 3.15 H new ATOM 0 HZ1 LYS A 124 9.543 21.026 -11.913 1.00 2.44 H new ATOM 0 HZ2 LYS A 124 9.041 21.026 -10.291 1.00 2.44 H new ATOM 0 HZ3 LYS A 124 9.249 19.556 -11.116 1.00 2.44 H new ATOM 1878 N LEU A 125 4.810 22.300 -8.092 1.00 35.32 N ATOM 1879 CA LEU A 125 4.687 23.782 -8.050 1.00 51.21 C ATOM 1880 C LEU A 125 4.987 24.395 -9.441 1.00 72.12 C ATOM 1881 O LEU A 125 5.918 23.966 -10.126 1.00 3.11 O ATOM 1882 CB LEU A 125 5.635 24.398 -6.968 1.00 41.22 C ATOM 1883 CG LEU A 125 5.287 24.116 -5.459 1.00 62.33 C ATOM 1884 CD1 LEU A 125 5.452 22.629 -5.073 1.00 2.43 C ATOM 1885 CD2 LEU A 125 6.127 25.013 -4.519 1.00 72.44 C ATOM 0 H LEU A 125 5.670 21.950 -7.670 1.00 35.32 H new ATOM 0 HA LEU A 125 3.660 24.023 -7.777 1.00 51.21 H new ATOM 0 HB2 LEU A 125 6.644 24.032 -7.156 1.00 41.22 H new ATOM 0 HB3 LEU A 125 5.656 25.478 -7.113 1.00 41.22 H new ATOM 0 HG LEU A 125 4.232 24.362 -5.336 1.00 62.33 H new ATOM 0 HD11 LEU A 125 5.198 22.496 -4.021 1.00 2.43 H new ATOM 0 HD12 LEU A 125 4.790 22.018 -5.686 1.00 2.43 H new ATOM 0 HD13 LEU A 125 6.485 22.323 -5.239 1.00 2.43 H new ATOM 0 HD21 LEU A 125 5.867 24.798 -3.483 1.00 72.44 H new ATOM 0 HD22 LEU A 125 7.187 24.813 -4.676 1.00 72.44 H new ATOM 0 HD23 LEU A 125 5.920 26.061 -4.735 1.00 72.44 H new ATOM 1897 N GLU A 126 4.202 25.413 -9.839 1.00 45.04 N ATOM 1898 CA GLU A 126 4.273 26.039 -11.197 1.00 73.01 C ATOM 1899 C GLU A 126 5.132 27.341 -11.203 1.00 54.13 C ATOM 1900 O GLU A 126 5.032 28.157 -12.132 1.00 71.22 O ATOM 1901 CB GLU A 126 2.816 26.327 -11.712 1.00 42.32 C ATOM 1902 CG GLU A 126 2.081 27.551 -11.080 1.00 65.43 C ATOM 1903 CD GLU A 126 1.860 27.450 -9.557 1.00 13.40 C ATOM 1904 OE1 GLU A 126 0.853 26.852 -9.135 1.00 14.52 O ATOM 1905 OE2 GLU A 126 2.721 27.934 -8.779 1.00 53.24 O ATOM 0 H GLU A 126 3.495 25.834 -9.236 1.00 45.04 H new ATOM 0 HA GLU A 126 4.768 25.338 -11.870 1.00 73.01 H new ATOM 0 HB2 GLU A 126 2.859 26.475 -12.791 1.00 42.32 H new ATOM 0 HB3 GLU A 126 2.210 25.438 -11.536 1.00 42.32 H new ATOM 0 HG2 GLU A 126 2.656 28.452 -11.292 1.00 65.43 H new ATOM 0 HG3 GLU A 126 1.113 27.669 -11.567 1.00 65.43 H new ATOM 1912 N HIS A 127 5.998 27.501 -10.178 1.00 5.31 N ATOM 1913 CA HIS A 127 6.787 28.743 -9.949 1.00 61.32 C ATOM 1914 C HIS A 127 7.737 29.090 -11.134 1.00 21.12 C ATOM 1915 O HIS A 127 8.321 28.197 -11.756 1.00 11.23 O ATOM 1916 CB HIS A 127 7.588 28.613 -8.627 1.00 23.42 C ATOM 1917 CG HIS A 127 6.733 28.475 -7.382 1.00 71.14 C ATOM 1918 ND1 HIS A 127 5.366 28.247 -7.405 1.00 12.44 N ATOM 1919 CD2 HIS A 127 7.065 28.544 -6.068 1.00 23.21 C ATOM 1920 CE1 HIS A 127 4.907 28.194 -6.174 1.00 60.20 C ATOM 1921 NE2 HIS A 127 5.910 28.367 -5.347 1.00 65.21 N ATOM 0 H HIS A 127 6.173 26.775 -9.483 1.00 5.31 H new ATOM 0 HA HIS A 127 6.079 29.568 -9.875 1.00 61.32 H new ATOM 0 HB2 HIS A 127 8.244 27.746 -8.699 1.00 23.42 H new ATOM 0 HB3 HIS A 127 8.228 29.489 -8.517 1.00 23.42 H new ATOM 0 HD2 HIS A 127 8.053 28.708 -5.665 1.00 23.21 H new ATOM 0 HE1 HIS A 127 3.877 28.035 -5.891 1.00 60.20 H new ATOM 0 HE2 HIS A 127 5.843 28.370 -4.329 1.00 65.21 H new ATOM 1930 N HIS A 128 7.871 30.403 -11.426 1.00 71.43 N ATOM 1931 CA HIS A 128 8.669 30.907 -12.576 1.00 15.25 C ATOM 1932 C HIS A 128 10.188 30.790 -12.292 1.00 23.31 C ATOM 1933 O HIS A 128 10.664 31.219 -11.234 1.00 40.52 O ATOM 1934 CB HIS A 128 8.308 32.388 -12.885 1.00 21.32 C ATOM 1935 CG HIS A 128 6.829 32.672 -12.981 1.00 72.34 C ATOM 1936 ND1 HIS A 128 6.051 32.936 -11.874 1.00 71.21 N ATOM 1937 CD2 HIS A 128 5.986 32.736 -14.043 1.00 31.31 C ATOM 1938 CE1 HIS A 128 4.805 33.142 -12.245 1.00 22.22 C ATOM 1939 NE2 HIS A 128 4.736 33.027 -13.555 1.00 61.21 N ATOM 0 H HIS A 128 7.433 31.143 -10.877 1.00 71.43 H new ATOM 0 HA HIS A 128 8.427 30.292 -13.443 1.00 15.25 H new ATOM 0 HB2 HIS A 128 8.736 33.021 -12.108 1.00 21.32 H new ATOM 0 HB3 HIS A 128 8.780 32.674 -13.825 1.00 21.32 H new ATOM 0 HD2 HIS A 128 6.250 32.586 -15.080 1.00 31.31 H new ATOM 0 HE1 HIS A 128 3.979 33.367 -11.587 1.00 22.22 H new ATOM 0 HE2 HIS A 128 3.891 33.136 -14.116 1.00 61.21 H new ATOM 1948 N HIS A 129 10.938 30.212 -13.245 1.00 33.21 N ATOM 1949 CA HIS A 129 12.399 29.985 -13.107 1.00 71.11 C ATOM 1950 C HIS A 129 13.221 30.947 -13.997 1.00 35.35 C ATOM 1951 O HIS A 129 13.740 30.567 -15.057 1.00 64.31 O ATOM 1952 CB HIS A 129 12.746 28.488 -13.356 1.00 73.42 C ATOM 1953 CG HIS A 129 12.097 27.859 -14.568 1.00 1.01 C ATOM 1954 ND1 HIS A 129 12.585 28.002 -15.852 1.00 73.22 N ATOM 1955 CD2 HIS A 129 11.013 27.049 -14.677 1.00 32.33 C ATOM 1956 CE1 HIS A 129 11.836 27.312 -16.689 1.00 41.23 C ATOM 1957 NE2 HIS A 129 10.878 26.727 -16.004 1.00 71.22 N ATOM 0 H HIS A 129 10.556 29.887 -14.133 1.00 33.21 H new ATOM 0 HA HIS A 129 12.684 30.217 -12.081 1.00 71.11 H new ATOM 0 HB2 HIS A 129 13.827 28.396 -13.457 1.00 73.42 H new ATOM 0 HB3 HIS A 129 12.458 27.916 -12.474 1.00 73.42 H new ATOM 0 HD1 HIS A 129 13.400 28.557 -16.113 1.00 73.22 H new ATOM 0 HD2 HIS A 129 10.376 26.719 -13.870 1.00 32.33 H new ATOM 0 HE1 HIS A 129 11.984 27.239 -17.756 1.00 41.23 H new ATOM 1966 N HIS A 130 13.286 32.226 -13.567 1.00 70.34 N ATOM 1967 CA HIS A 130 14.135 33.270 -14.199 1.00 43.34 C ATOM 1968 C HIS A 130 14.849 34.096 -13.097 1.00 75.42 C ATOM 1969 O HIS A 130 14.433 35.211 -12.764 1.00 75.23 O ATOM 1970 CB HIS A 130 13.290 34.194 -15.127 1.00 41.54 C ATOM 1971 CG HIS A 130 12.578 33.477 -16.245 1.00 21.11 C ATOM 1972 ND1 HIS A 130 13.243 32.895 -17.305 1.00 22.24 N ATOM 1973 CD2 HIS A 130 11.259 33.224 -16.454 1.00 73.15 C ATOM 1974 CE1 HIS A 130 12.376 32.311 -18.105 1.00 64.03 C ATOM 1975 NE2 HIS A 130 11.169 32.495 -17.617 1.00 20.04 N ATOM 0 H HIS A 130 12.751 32.569 -12.769 1.00 70.34 H new ATOM 0 HA HIS A 130 14.886 32.783 -14.821 1.00 43.34 H new ATOM 0 HB2 HIS A 130 12.551 34.718 -14.521 1.00 41.54 H new ATOM 0 HB3 HIS A 130 13.945 34.951 -15.558 1.00 41.54 H new ATOM 0 HD2 HIS A 130 10.438 33.536 -15.826 1.00 73.15 H new ATOM 0 HE1 HIS A 130 12.616 31.772 -19.010 1.00 64.03 H new ATOM 0 HE2 HIS A 130 10.304 32.152 -18.034 1.00 20.04 H new ATOM 1984 N HIS A 131 15.904 33.512 -12.491 1.00 12.43 N ATOM 1985 CA HIS A 131 16.617 34.110 -11.326 1.00 63.12 C ATOM 1986 C HIS A 131 18.153 34.125 -11.536 1.00 54.21 C ATOM 1987 O HIS A 131 18.690 33.333 -12.321 1.00 32.02 O ATOM 1988 CB HIS A 131 16.264 33.323 -10.031 1.00 63.10 C ATOM 1989 CG HIS A 131 14.781 33.132 -9.812 1.00 34.22 C ATOM 1990 ND1 HIS A 131 13.919 34.175 -9.555 1.00 75.54 N ATOM 1991 CD2 HIS A 131 14.008 32.015 -9.846 1.00 63.43 C ATOM 1992 CE1 HIS A 131 12.690 33.713 -9.445 1.00 20.11 C ATOM 1993 NE2 HIS A 131 12.717 32.410 -9.619 1.00 72.12 N ATOM 0 H HIS A 131 16.290 32.616 -12.789 1.00 12.43 H new ATOM 0 HA HIS A 131 16.288 35.144 -11.229 1.00 63.12 H new ATOM 0 HB2 HIS A 131 16.744 32.345 -10.070 1.00 63.10 H new ATOM 0 HB3 HIS A 131 16.683 33.849 -9.173 1.00 63.10 H new ATOM 0 HD2 HIS A 131 14.348 31.005 -10.020 1.00 63.43 H new ATOM 0 HE1 HIS A 131 11.809 34.305 -9.246 1.00 20.11 H new ATOM 0 HE2 HIS A 131 11.906 31.792 -9.590 1.00 72.12 H new ATOM 2002 N HIS A 132 18.849 35.027 -10.809 1.00 31.15 N ATOM 2003 CA HIS A 132 20.329 35.163 -10.882 1.00 72.02 C ATOM 2004 C HIS A 132 21.075 33.979 -10.166 1.00 22.34 C ATOM 2005 O HIS A 132 21.174 33.969 -8.923 1.00 37.92 O ATOM 2006 CB HIS A 132 20.790 36.570 -10.364 1.00 53.54 C ATOM 2007 CG HIS A 132 20.195 37.039 -9.048 1.00 4.43 C ATOM 2008 ND1 HIS A 132 19.069 37.837 -8.974 1.00 3.43 N ATOM 2009 CD2 HIS A 132 20.600 36.864 -7.766 1.00 52.02 C ATOM 2010 CE1 HIS A 132 18.817 38.129 -7.716 1.00 5.24 C ATOM 2011 NE2 HIS A 132 19.727 37.553 -6.963 1.00 43.31 N ATOM 2012 OXT HIS A 132 21.545 33.050 -10.864 1.00 37.92 O ATOM 0 H HIS A 132 18.409 35.678 -10.159 1.00 31.15 H new ATOM 0 HA HIS A 132 20.613 35.097 -11.932 1.00 72.02 H new ATOM 0 HB2 HIS A 132 21.875 36.556 -10.262 1.00 53.54 H new ATOM 0 HB3 HIS A 132 20.551 37.309 -11.128 1.00 53.54 H new ATOM 0 HD2 HIS A 132 21.453 36.288 -7.438 1.00 52.02 H new ATOM 0 HE1 HIS A 132 18.000 38.740 -7.362 1.00 5.24 H new ATOM 0 HE2 HIS A 132 19.776 37.609 -5.946 1.00 43.31 H new TER 2021 HIS A 132