USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 THR OG1 : rot 15:sc= 0.329 USER MOD Set 1.2: A 111 MET CE :methyl -152:sc= -0.0277 (180deg=-0.62) USER MOD Set 2.1: A 86 HIS : no HD1:sc= 0.0502 K(o=0.14,f=-0.49) USER MOD Set 2.2: A 89 SER OG : rot 155:sc= 0.0924 USER MOD Set 3.1: A 76 THR OG1 : rot 105:sc= 1.65 USER MOD Set 3.2: A 92 TYR OH : rot -177:sc= 0.855 USER MOD Set 3.3: A 112 SER OG : rot 42:sc= 0.181 USER MOD Set 4.1: A 20 MET CE :methyl -162:sc= -0.116 (180deg=-0.522) USER MOD Set 4.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 4 SER OG : rot 117:sc= 0.446 USER MOD Set 5.2: A 6 HIS : no HD1:sc= 0.411 K(o=0.86,f=0.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.00871 (180deg=-0.109) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc=-0.00404 X(o=-0.004,f=-0.004) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 9 HIS : no HD1:sc= 0.0306 X(o=0.031,f=-0.4) USER MOD Single : A 10 HIS : no HD1:sc=-0.00928 X(o=-0.0093,f=-0.4) USER MOD Single : A 11 SER OG : rot 42:sc= 0.0494 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0849 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.06) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0329) USER MOD Single : A 24 GLN : amide:sc= -2.47! K(o=-2.5!,f=-3.6) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -132:sc= -0.113 (180deg=-1.48) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= 1.1 (180deg=0.185) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00948 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.133 K(o=-0.13,f=-2!) USER MOD Single : A 52 ASN : amide:sc= -0.614 X(o=-0.61,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00539 K(o=-0.0054,f=-0.94) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 66 LYS NZ :NH3+ -137:sc= -0.842 (180deg=-3.01!) USER MOD Single : A 70 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.53) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.014) USER MOD Single : A 81 ASN : amide:sc=-0.00649 K(o=-0.0065,f=-1.4) USER MOD Single : A 83 THR OG1 : rot -42:sc= 0.463 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= -1.17 (180deg=-2.82!) USER MOD Single : A 97 SER OG : rot -83:sc= 0.706 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 0.798 (180deg=0.548) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.109 K(o=0.11,f=-3!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.564 36.417 -25.789 1.00 23.31 N ATOM 2 CA MET A 1 8.043 35.153 -26.392 1.00 41.53 C ATOM 3 C MET A 1 6.975 34.060 -26.222 1.00 74.20 C ATOM 4 O MET A 1 6.258 34.043 -25.216 1.00 51.31 O ATOM 5 CB MET A 1 9.386 34.717 -25.751 1.00 14.20 C ATOM 6 CG MET A 1 10.527 35.723 -25.936 1.00 50.24 C ATOM 7 SD MET A 1 12.078 35.154 -25.210 1.00 63.55 S ATOM 8 CE MET A 1 13.173 36.536 -25.557 1.00 10.52 C ATOM 0 H1 MET A 1 7.652 37.187 -26.482 1.00 23.31 H new ATOM 0 H2 MET A 1 6.567 36.313 -25.511 1.00 23.31 H new ATOM 0 H3 MET A 1 8.136 36.640 -24.950 1.00 23.31 H new ATOM 0 HA MET A 1 8.217 35.311 -27.456 1.00 41.53 H new ATOM 0 HB2 MET A 1 9.230 34.553 -24.685 1.00 14.20 H new ATOM 0 HB3 MET A 1 9.687 33.761 -26.180 1.00 14.20 H new ATOM 0 HG2 MET A 1 10.674 35.908 -27.000 1.00 50.24 H new ATOM 0 HG3 MET A 1 10.245 36.674 -25.483 1.00 50.24 H new ATOM 0 HE1 MET A 1 14.167 36.321 -25.164 1.00 10.52 H new ATOM 0 HE2 MET A 1 13.235 36.690 -26.634 1.00 10.52 H new ATOM 0 HE3 MET A 1 12.783 37.437 -25.084 1.00 10.52 H new ATOM 20 N SER A 2 6.895 33.157 -27.214 1.00 34.11 N ATOM 21 CA SER A 2 5.913 32.056 -27.249 1.00 14.14 C ATOM 22 C SER A 2 6.449 30.801 -26.519 1.00 43.32 C ATOM 23 O SER A 2 7.510 30.278 -26.878 1.00 51.11 O ATOM 24 CB SER A 2 5.576 31.728 -28.727 1.00 25.15 C ATOM 25 OG SER A 2 5.099 32.882 -29.399 1.00 30.15 O ATOM 0 H SER A 2 7.516 33.170 -28.023 1.00 34.11 H new ATOM 0 HA SER A 2 5.009 32.371 -26.728 1.00 14.14 H new ATOM 0 HB2 SER A 2 6.464 31.348 -29.232 1.00 25.15 H new ATOM 0 HB3 SER A 2 4.824 30.940 -28.768 1.00 25.15 H new ATOM 0 HG SER A 2 4.893 32.657 -30.330 1.00 30.15 H new ATOM 31 N GLY A 3 5.706 30.343 -25.491 1.00 63.53 N ATOM 32 CA GLY A 3 6.042 29.128 -24.738 1.00 43.54 C ATOM 33 C GLY A 3 5.736 29.302 -23.257 1.00 70.53 C ATOM 34 O GLY A 3 6.552 29.860 -22.526 1.00 32.43 O ATOM 0 H GLY A 3 4.859 30.807 -25.164 1.00 63.53 H new ATOM 0 HA2 GLY A 3 5.477 28.283 -25.133 1.00 43.54 H new ATOM 0 HA3 GLY A 3 7.099 28.895 -24.870 1.00 43.54 H new ATOM 38 N SER A 4 4.545 28.851 -22.822 1.00 24.10 N ATOM 39 CA SER A 4 4.098 28.976 -21.422 1.00 3.21 C ATOM 40 C SER A 4 4.580 27.766 -20.578 1.00 63.40 C ATOM 41 O SER A 4 4.107 26.642 -20.758 1.00 71.30 O ATOM 42 CB SER A 4 2.550 29.119 -21.377 1.00 41.31 C ATOM 43 OG SER A 4 1.898 28.093 -22.110 1.00 2.32 O ATOM 0 H SER A 4 3.867 28.391 -23.429 1.00 24.10 H new ATOM 0 HA SER A 4 4.541 29.871 -20.986 1.00 3.21 H new ATOM 0 HB2 SER A 4 2.214 29.093 -20.340 1.00 41.31 H new ATOM 0 HB3 SER A 4 2.264 30.090 -21.781 1.00 41.31 H new ATOM 0 HG SER A 4 1.353 27.552 -21.501 1.00 2.32 H new ATOM 49 N HIS A 5 5.534 28.018 -19.657 1.00 74.13 N ATOM 50 CA HIS A 5 6.115 26.993 -18.748 1.00 45.23 C ATOM 51 C HIS A 5 5.143 26.677 -17.579 1.00 24.32 C ATOM 52 O HIS A 5 5.334 25.693 -16.850 1.00 70.45 O ATOM 53 CB HIS A 5 7.490 27.499 -18.228 1.00 15.50 C ATOM 54 CG HIS A 5 8.254 26.532 -17.353 1.00 11.22 C ATOM 55 ND1 HIS A 5 8.294 26.629 -15.983 1.00 13.14 N ATOM 56 CD2 HIS A 5 9.019 25.458 -17.663 1.00 33.31 C ATOM 57 CE1 HIS A 5 9.055 25.682 -15.495 1.00 12.23 C ATOM 58 NE2 HIS A 5 9.503 24.947 -16.489 1.00 50.22 N ATOM 0 H HIS A 5 5.930 28.947 -19.518 1.00 74.13 H new ATOM 0 HA HIS A 5 6.266 26.062 -19.295 1.00 45.23 H new ATOM 0 HB2 HIS A 5 8.112 27.753 -19.087 1.00 15.50 H new ATOM 0 HB3 HIS A 5 7.330 28.420 -17.667 1.00 15.50 H new ATOM 0 HD2 HIS A 5 9.212 25.075 -18.654 1.00 33.31 H new ATOM 0 HE1 HIS A 5 9.278 25.530 -14.449 1.00 12.23 H new ATOM 0 HE2 HIS A 5 10.110 24.132 -16.400 1.00 50.22 H new ATOM 67 N HIS A 6 4.125 27.549 -17.408 1.00 3.10 N ATOM 68 CA HIS A 6 2.989 27.362 -16.477 1.00 74.03 C ATOM 69 C HIS A 6 3.421 27.386 -15.001 1.00 33.52 C ATOM 70 O HIS A 6 3.847 26.362 -14.459 1.00 2.43 O ATOM 71 CB HIS A 6 2.185 26.059 -16.782 1.00 1.42 C ATOM 72 CG HIS A 6 1.571 26.016 -18.151 1.00 53.40 C ATOM 73 ND1 HIS A 6 1.922 25.091 -19.104 1.00 23.21 N ATOM 74 CD2 HIS A 6 0.614 26.779 -18.712 1.00 51.34 C ATOM 75 CE1 HIS A 6 1.209 25.290 -20.185 1.00 60.21 C ATOM 76 NE2 HIS A 6 0.409 26.309 -19.977 1.00 10.03 N ATOM 0 H HIS A 6 4.069 28.425 -17.927 1.00 3.10 H new ATOM 0 HA HIS A 6 2.332 28.216 -16.644 1.00 74.03 H new ATOM 0 HB2 HIS A 6 2.849 25.202 -16.668 1.00 1.42 H new ATOM 0 HB3 HIS A 6 1.395 25.952 -16.039 1.00 1.42 H new ATOM 0 HD2 HIS A 6 0.103 27.609 -18.247 1.00 51.34 H new ATOM 0 HE1 HIS A 6 1.270 24.712 -21.095 1.00 60.21 H new ATOM 0 HE2 HIS A 6 -0.257 26.688 -20.650 1.00 10.03 H new ATOM 85 N HIS A 7 3.346 28.572 -14.362 1.00 71.12 N ATOM 86 CA HIS A 7 3.498 28.687 -12.898 1.00 63.11 C ATOM 87 C HIS A 7 2.201 28.165 -12.263 1.00 45.53 C ATOM 88 O HIS A 7 1.105 28.522 -12.734 1.00 21.03 O ATOM 89 CB HIS A 7 3.809 30.143 -12.441 1.00 35.51 C ATOM 90 CG HIS A 7 2.656 31.125 -12.533 1.00 51.14 C ATOM 91 ND1 HIS A 7 1.921 31.510 -11.437 1.00 72.11 N ATOM 92 CD2 HIS A 7 2.089 31.742 -13.595 1.00 62.54 C ATOM 93 CE1 HIS A 7 0.968 32.333 -11.818 1.00 55.32 C ATOM 94 NE2 HIS A 7 1.042 32.493 -13.118 1.00 3.14 N ATOM 0 H HIS A 7 3.182 29.460 -14.836 1.00 71.12 H new ATOM 0 HA HIS A 7 4.354 28.095 -12.572 1.00 63.11 H new ATOM 0 HB2 HIS A 7 4.154 30.113 -11.408 1.00 35.51 H new ATOM 0 HB3 HIS A 7 4.635 30.524 -13.042 1.00 35.51 H new ATOM 0 HD2 HIS A 7 2.401 31.660 -14.626 1.00 62.54 H new ATOM 0 HE1 HIS A 7 0.244 32.800 -11.167 1.00 55.32 H new ATOM 0 HE2 HIS A 7 0.425 33.078 -13.681 1.00 3.14 H new ATOM 103 N HIS A 8 2.335 27.308 -11.232 1.00 4.45 N ATOM 104 CA HIS A 8 1.202 26.571 -10.637 1.00 20.41 C ATOM 105 C HIS A 8 0.558 25.670 -11.721 1.00 1.32 C ATOM 106 O HIS A 8 -0.410 26.063 -12.377 1.00 43.44 O ATOM 107 CB HIS A 8 0.174 27.550 -9.981 1.00 3.03 C ATOM 108 CG HIS A 8 -1.048 26.900 -9.380 1.00 51.10 C ATOM 109 ND1 HIS A 8 -2.219 26.718 -10.083 1.00 22.11 N ATOM 110 CD2 HIS A 8 -1.268 26.390 -8.149 1.00 42.31 C ATOM 111 CE1 HIS A 8 -3.109 26.143 -9.304 1.00 63.51 C ATOM 112 NE2 HIS A 8 -2.556 25.928 -8.129 1.00 11.43 N ATOM 0 H HIS A 8 3.231 27.107 -10.788 1.00 4.45 H new ATOM 0 HA HIS A 8 1.562 25.930 -9.832 1.00 20.41 H new ATOM 0 HB2 HIS A 8 0.684 28.116 -9.201 1.00 3.03 H new ATOM 0 HB3 HIS A 8 -0.151 28.267 -10.735 1.00 3.03 H new ATOM 0 HD2 HIS A 8 -0.561 26.354 -7.334 1.00 42.31 H new ATOM 0 HE1 HIS A 8 -4.122 25.890 -9.581 1.00 63.51 H new ATOM 0 HE2 HIS A 8 -3.014 25.488 -7.331 1.00 11.43 H new ATOM 121 N HIS A 9 1.170 24.493 -11.947 1.00 20.22 N ATOM 122 CA HIS A 9 0.740 23.544 -12.988 1.00 72.43 C ATOM 123 C HIS A 9 -0.649 22.985 -12.669 1.00 11.43 C ATOM 124 O HIS A 9 -0.902 22.549 -11.541 1.00 61.33 O ATOM 125 CB HIS A 9 1.768 22.399 -13.140 1.00 43.32 C ATOM 126 CG HIS A 9 3.080 22.850 -13.705 1.00 54.34 C ATOM 127 ND1 HIS A 9 4.158 23.185 -12.925 1.00 35.32 N ATOM 128 CD2 HIS A 9 3.466 23.046 -14.979 1.00 42.10 C ATOM 129 CE1 HIS A 9 5.157 23.556 -13.699 1.00 62.02 C ATOM 130 NE2 HIS A 9 4.760 23.481 -14.948 1.00 13.32 N ATOM 0 H HIS A 9 1.977 24.174 -11.412 1.00 20.22 H new ATOM 0 HA HIS A 9 0.683 24.079 -13.936 1.00 72.43 H new ATOM 0 HB2 HIS A 9 1.938 21.942 -12.165 1.00 43.32 H new ATOM 0 HB3 HIS A 9 1.349 21.627 -13.785 1.00 43.32 H new ATOM 0 HD2 HIS A 9 2.864 22.889 -15.862 1.00 42.10 H new ATOM 0 HE1 HIS A 9 6.135 23.868 -13.364 1.00 62.02 H new ATOM 0 HE2 HIS A 9 5.327 23.711 -15.764 1.00 13.32 H new ATOM 139 N HIS A 10 -1.536 23.025 -13.681 1.00 12.22 N ATOM 140 CA HIS A 10 -2.917 22.549 -13.571 1.00 45.05 C ATOM 141 C HIS A 10 -2.916 21.013 -13.517 1.00 55.32 C ATOM 142 O HIS A 10 -2.926 20.346 -14.561 1.00 14.34 O ATOM 143 CB HIS A 10 -3.763 23.064 -14.769 1.00 64.23 C ATOM 144 CG HIS A 10 -5.233 22.737 -14.666 1.00 34.54 C ATOM 145 ND1 HIS A 10 -5.782 21.547 -15.114 1.00 55.25 N ATOM 146 CD2 HIS A 10 -6.259 23.437 -14.132 1.00 21.31 C ATOM 147 CE1 HIS A 10 -7.075 21.541 -14.861 1.00 64.32 C ATOM 148 NE2 HIS A 10 -7.385 22.675 -14.263 1.00 0.44 N ATOM 0 H HIS A 10 -1.306 23.393 -14.604 1.00 12.22 H new ATOM 0 HA HIS A 10 -3.367 22.936 -12.657 1.00 45.05 H new ATOM 0 HB2 HIS A 10 -3.646 24.145 -14.846 1.00 64.23 H new ATOM 0 HB3 HIS A 10 -3.369 22.635 -15.690 1.00 64.23 H new ATOM 0 HD2 HIS A 10 -6.199 24.418 -13.684 1.00 21.31 H new ATOM 0 HE1 HIS A 10 -7.763 20.744 -15.102 1.00 64.32 H new ATOM 0 HE2 HIS A 10 -8.318 22.941 -13.948 1.00 0.44 H new ATOM 157 N SER A 11 -2.812 20.481 -12.294 1.00 52.23 N ATOM 158 CA SER A 11 -2.856 19.036 -12.032 1.00 20.33 C ATOM 159 C SER A 11 -4.216 18.467 -12.472 1.00 71.14 C ATOM 160 O SER A 11 -5.269 18.895 -11.983 1.00 62.12 O ATOM 161 CB SER A 11 -2.594 18.760 -10.531 1.00 2.20 C ATOM 162 OG SER A 11 -3.400 19.579 -9.697 1.00 73.24 O ATOM 0 H SER A 11 -2.694 21.044 -11.452 1.00 52.23 H new ATOM 0 HA SER A 11 -2.075 18.539 -12.608 1.00 20.33 H new ATOM 0 HB2 SER A 11 -2.794 17.711 -10.314 1.00 2.20 H new ATOM 0 HB3 SER A 11 -1.542 18.937 -10.307 1.00 2.20 H new ATOM 0 HG SER A 11 -4.308 19.625 -10.063 1.00 73.24 H new ATOM 168 N SER A 12 -4.172 17.530 -13.421 1.00 53.12 N ATOM 169 CA SER A 12 -5.362 16.929 -14.034 1.00 31.13 C ATOM 170 C SER A 12 -4.987 15.528 -14.573 1.00 71.22 C ATOM 171 O SER A 12 -3.909 15.014 -14.259 1.00 33.34 O ATOM 172 CB SER A 12 -5.894 17.869 -15.151 1.00 45.54 C ATOM 173 OG SER A 12 -7.164 17.464 -15.620 1.00 61.43 O ATOM 0 H SER A 12 -3.297 17.161 -13.792 1.00 53.12 H new ATOM 0 HA SER A 12 -6.162 16.806 -13.304 1.00 31.13 H new ATOM 0 HB2 SER A 12 -5.956 18.888 -14.769 1.00 45.54 H new ATOM 0 HB3 SER A 12 -5.188 17.882 -15.981 1.00 45.54 H new ATOM 0 HG SER A 12 -7.466 18.080 -16.320 1.00 61.43 H new ATOM 179 N GLY A 13 -5.897 14.896 -15.345 1.00 50.53 N ATOM 180 CA GLY A 13 -5.658 13.566 -15.926 1.00 23.45 C ATOM 181 C GLY A 13 -5.835 12.420 -14.926 1.00 33.23 C ATOM 182 O GLY A 13 -5.778 11.250 -15.318 1.00 33.20 O ATOM 0 H GLY A 13 -6.807 15.292 -15.579 1.00 50.53 H new ATOM 0 HA2 GLY A 13 -6.341 13.416 -16.762 1.00 23.45 H new ATOM 0 HA3 GLY A 13 -4.646 13.532 -16.330 1.00 23.45 H new ATOM 186 N ILE A 14 -6.119 12.795 -13.665 1.00 3.42 N ATOM 187 CA ILE A 14 -6.146 11.912 -12.465 1.00 30.20 C ATOM 188 C ILE A 14 -6.576 12.787 -11.271 1.00 15.12 C ATOM 189 O ILE A 14 -5.869 13.747 -10.914 1.00 5.33 O ATOM 190 CB ILE A 14 -4.796 11.097 -12.077 1.00 22.42 C ATOM 191 CG1 ILE A 14 -3.460 11.944 -12.073 1.00 2.21 C ATOM 192 CG2 ILE A 14 -4.642 9.785 -12.899 1.00 55.31 C ATOM 193 CD1 ILE A 14 -2.244 11.165 -11.599 1.00 25.31 C ATOM 0 H ILE A 14 -6.347 13.762 -13.436 1.00 3.42 H new ATOM 0 HA ILE A 14 -6.840 11.111 -12.718 1.00 30.20 H new ATOM 0 HB ILE A 14 -4.950 10.832 -11.031 1.00 22.42 H new ATOM 0 HG12 ILE A 14 -3.273 12.315 -13.081 1.00 2.21 H new ATOM 0 HG13 ILE A 14 -3.595 12.815 -11.432 1.00 2.21 H new ATOM 0 HG21 ILE A 14 -3.725 9.276 -12.603 1.00 55.31 H new ATOM 0 HG22 ILE A 14 -5.495 9.134 -12.709 1.00 55.31 H new ATOM 0 HG23 ILE A 14 -4.598 10.024 -13.961 1.00 55.31 H new ATOM 0 HD11 ILE A 14 -1.366 11.811 -11.623 1.00 25.31 H new ATOM 0 HD12 ILE A 14 -2.410 10.816 -10.580 1.00 25.31 H new ATOM 0 HD13 ILE A 14 -2.083 10.308 -12.254 1.00 25.31 H new ATOM 205 N GLU A 15 -7.750 12.486 -10.683 1.00 12.12 N ATOM 206 CA GLU A 15 -8.356 13.297 -9.609 1.00 3.51 C ATOM 207 C GLU A 15 -8.946 12.369 -8.538 1.00 25.10 C ATOM 208 O GLU A 15 -8.967 11.144 -8.707 1.00 13.31 O ATOM 209 CB GLU A 15 -9.446 14.238 -10.190 1.00 11.35 C ATOM 210 CG GLU A 15 -8.914 15.286 -11.197 1.00 3.15 C ATOM 211 CD GLU A 15 -9.974 16.281 -11.654 1.00 42.42 C ATOM 212 OE1 GLU A 15 -10.252 17.247 -10.922 1.00 42.24 O ATOM 213 OE2 GLU A 15 -10.544 16.122 -12.744 1.00 72.20 O ATOM 0 H GLU A 15 -8.307 11.671 -10.940 1.00 12.12 H new ATOM 0 HA GLU A 15 -7.588 13.920 -9.150 1.00 3.51 H new ATOM 0 HB2 GLU A 15 -10.207 13.632 -10.682 1.00 11.35 H new ATOM 0 HB3 GLU A 15 -9.936 14.758 -9.367 1.00 11.35 H new ATOM 0 HG2 GLU A 15 -8.088 15.831 -10.740 1.00 3.15 H new ATOM 0 HG3 GLU A 15 -8.512 14.770 -12.069 1.00 3.15 H new ATOM 220 N GLY A 16 -9.413 12.982 -7.447 1.00 14.14 N ATOM 221 CA GLY A 16 -9.968 12.266 -6.301 1.00 20.00 C ATOM 222 C GLY A 16 -10.952 13.128 -5.545 1.00 23.42 C ATOM 223 O GLY A 16 -10.826 13.331 -4.330 1.00 54.14 O ATOM 0 H GLY A 16 -9.415 13.996 -7.336 1.00 14.14 H new ATOM 0 HA2 GLY A 16 -10.463 11.357 -6.642 1.00 20.00 H new ATOM 0 HA3 GLY A 16 -9.162 11.959 -5.635 1.00 20.00 H new ATOM 227 N ARG A 17 -11.938 13.639 -6.304 1.00 50.43 N ATOM 228 CA ARG A 17 -12.992 14.526 -5.796 1.00 41.43 C ATOM 229 C ARG A 17 -13.892 13.750 -4.815 1.00 2.43 C ATOM 230 O ARG A 17 -14.762 12.977 -5.236 1.00 74.44 O ATOM 231 CB ARG A 17 -13.838 15.073 -6.975 1.00 31.25 C ATOM 232 CG ARG A 17 -13.030 15.737 -8.116 1.00 74.22 C ATOM 233 CD ARG A 17 -13.945 16.241 -9.244 1.00 61.23 C ATOM 234 NE ARG A 17 -13.189 16.774 -10.386 1.00 3.43 N ATOM 235 CZ ARG A 17 -13.733 17.237 -11.525 1.00 42.34 C ATOM 236 NH1 ARG A 17 -15.055 17.250 -11.704 1.00 22.04 N ATOM 237 NH2 ARG A 17 -12.941 17.685 -12.493 1.00 54.12 N ATOM 0 H ARG A 17 -12.023 13.443 -7.301 1.00 50.43 H new ATOM 0 HA ARG A 17 -12.534 15.366 -5.274 1.00 41.43 H new ATOM 0 HB2 ARG A 17 -14.420 14.253 -7.394 1.00 31.25 H new ATOM 0 HB3 ARG A 17 -14.549 15.801 -6.584 1.00 31.25 H new ATOM 0 HG2 ARG A 17 -12.453 16.571 -7.716 1.00 74.22 H new ATOM 0 HG3 ARG A 17 -12.315 15.020 -8.520 1.00 74.22 H new ATOM 0 HD2 ARG A 17 -14.582 15.424 -9.583 1.00 61.23 H new ATOM 0 HD3 ARG A 17 -14.603 17.017 -8.854 1.00 61.23 H new ATOM 0 HE ARG A 17 -12.172 16.794 -10.308 1.00 3.43 H new ATOM 0 HH11 ARG A 17 -15.673 16.905 -10.969 1.00 22.04 H new ATOM 0 HH12 ARG A 17 -15.448 17.605 -12.575 1.00 22.04 H new ATOM 0 HH21 ARG A 17 -11.929 17.676 -12.369 1.00 54.12 H new ATOM 0 HH22 ARG A 17 -13.345 18.038 -13.360 1.00 54.12 H new ATOM 251 N GLY A 18 -13.641 13.945 -3.514 1.00 10.22 N ATOM 252 CA GLY A 18 -14.314 13.205 -2.461 1.00 71.33 C ATOM 253 C GLY A 18 -15.761 13.612 -2.255 1.00 50.21 C ATOM 254 O GLY A 18 -16.049 14.533 -1.485 1.00 61.43 O ATOM 0 H GLY A 18 -12.962 14.624 -3.170 1.00 10.22 H new ATOM 0 HA2 GLY A 18 -14.275 12.141 -2.696 1.00 71.33 H new ATOM 0 HA3 GLY A 18 -13.770 13.345 -1.527 1.00 71.33 H new ATOM 258 N ARG A 19 -16.672 12.922 -2.963 1.00 1.14 N ATOM 259 CA ARG A 19 -18.122 13.104 -2.825 1.00 33.34 C ATOM 260 C ARG A 19 -18.599 12.531 -1.472 1.00 70.15 C ATOM 261 O ARG A 19 -19.338 13.179 -0.725 1.00 10.12 O ATOM 262 CB ARG A 19 -18.849 12.409 -4.011 1.00 1.35 C ATOM 263 CG ARG A 19 -20.395 12.433 -3.940 1.00 21.11 C ATOM 264 CD ARG A 19 -20.978 13.858 -3.945 1.00 53.32 C ATOM 265 NE ARG A 19 -22.429 13.838 -3.713 1.00 52.31 N ATOM 266 CZ ARG A 19 -23.134 14.814 -3.118 1.00 42.31 C ATOM 267 NH1 ARG A 19 -22.539 15.927 -2.668 1.00 24.11 N ATOM 268 NH2 ARG A 19 -24.443 14.660 -2.961 1.00 22.21 N ATOM 0 H ARG A 19 -16.417 12.216 -3.653 1.00 1.14 H new ATOM 0 HA ARG A 19 -18.361 14.167 -2.847 1.00 33.34 H new ATOM 0 HB2 ARG A 19 -18.536 12.888 -4.939 1.00 1.35 H new ATOM 0 HB3 ARG A 19 -18.519 11.371 -4.061 1.00 1.35 H new ATOM 0 HG2 ARG A 19 -20.800 11.878 -4.786 1.00 21.11 H new ATOM 0 HG3 ARG A 19 -20.719 11.917 -3.036 1.00 21.11 H new ATOM 0 HD2 ARG A 19 -20.492 14.456 -3.174 1.00 53.32 H new ATOM 0 HD3 ARG A 19 -20.766 14.337 -4.901 1.00 53.32 H new ATOM 0 HE ARG A 19 -22.943 13.016 -4.030 1.00 52.31 H new ATOM 0 HH11 ARG A 19 -21.531 16.045 -2.774 1.00 24.11 H new ATOM 0 HH12 ARG A 19 -23.094 16.656 -2.219 1.00 24.11 H new ATOM 0 HH21 ARG A 19 -24.900 13.809 -3.290 1.00 22.21 H new ATOM 0 HH22 ARG A 19 -24.992 15.392 -2.511 1.00 22.21 H new ATOM 282 N MET A 20 -18.142 11.301 -1.178 1.00 25.11 N ATOM 283 CA MET A 20 -18.465 10.566 0.060 1.00 53.21 C ATOM 284 C MET A 20 -17.690 11.168 1.255 1.00 14.20 C ATOM 285 O MET A 20 -18.153 11.116 2.397 1.00 3.01 O ATOM 286 CB MET A 20 -18.101 9.067 -0.147 1.00 25.52 C ATOM 287 CG MET A 20 -18.422 8.138 1.035 1.00 11.01 C ATOM 288 SD MET A 20 -17.954 6.419 0.722 1.00 5.10 S ATOM 289 CE MET A 20 -18.937 6.014 -0.721 1.00 32.13 C ATOM 0 H MET A 20 -17.528 10.780 -1.804 1.00 25.11 H new ATOM 0 HA MET A 20 -19.529 10.650 0.282 1.00 53.21 H new ATOM 0 HB2 MET A 20 -18.629 8.701 -1.028 1.00 25.52 H new ATOM 0 HB3 MET A 20 -17.035 8.997 -0.363 1.00 25.52 H new ATOM 0 HG2 MET A 20 -17.902 8.495 1.924 1.00 11.01 H new ATOM 0 HG3 MET A 20 -19.490 8.186 1.249 1.00 11.01 H new ATOM 0 HE1 MET A 20 -18.997 4.931 -0.828 1.00 32.13 H new ATOM 0 HE2 MET A 20 -19.940 6.424 -0.604 1.00 32.13 H new ATOM 0 HE3 MET A 20 -18.472 6.441 -1.610 1.00 32.13 H new ATOM 299 N LYS A 21 -16.485 11.704 0.943 1.00 25.34 N ATOM 300 CA LYS A 21 -15.547 12.368 1.880 1.00 10.35 C ATOM 301 C LYS A 21 -14.751 11.361 2.760 1.00 3.43 C ATOM 302 O LYS A 21 -13.693 11.717 3.288 1.00 4.43 O ATOM 303 CB LYS A 21 -16.247 13.471 2.733 1.00 10.32 C ATOM 304 CG LYS A 21 -15.289 14.388 3.536 1.00 72.31 C ATOM 305 CD LYS A 21 -16.018 15.536 4.273 1.00 14.15 C ATOM 306 CE LYS A 21 -16.668 16.536 3.308 1.00 21.11 C ATOM 307 NZ LYS A 21 -17.417 17.595 4.027 1.00 74.13 N ATOM 0 H LYS A 21 -16.125 11.684 -0.011 1.00 25.34 H new ATOM 0 HA LYS A 21 -14.808 12.871 1.257 1.00 10.35 H new ATOM 0 HB2 LYS A 21 -16.850 14.092 2.071 1.00 10.32 H new ATOM 0 HB3 LYS A 21 -16.933 12.989 3.430 1.00 10.32 H new ATOM 0 HG2 LYS A 21 -14.745 13.786 4.264 1.00 72.31 H new ATOM 0 HG3 LYS A 21 -14.549 14.813 2.857 1.00 72.31 H new ATOM 0 HD2 LYS A 21 -16.783 15.116 4.925 1.00 14.15 H new ATOM 0 HD3 LYS A 21 -15.308 16.062 4.912 1.00 14.15 H new ATOM 0 HE2 LYS A 21 -15.898 16.994 2.688 1.00 21.11 H new ATOM 0 HE3 LYS A 21 -17.344 16.006 2.637 1.00 21.11 H new ATOM 0 HZ1 LYS A 21 -17.840 18.249 3.338 1.00 74.13 H new ATOM 0 HZ2 LYS A 21 -18.169 17.161 4.599 1.00 74.13 H new ATOM 0 HZ3 LYS A 21 -16.768 18.119 4.648 1.00 74.13 H new ATOM 321 N LYS A 22 -15.250 10.105 2.895 1.00 74.25 N ATOM 322 CA LYS A 22 -14.616 9.042 3.722 1.00 5.44 C ATOM 323 C LYS A 22 -14.548 9.456 5.229 1.00 53.21 C ATOM 324 O LYS A 22 -15.205 10.429 5.624 1.00 22.11 O ATOM 325 CB LYS A 22 -13.238 8.631 3.114 1.00 45.44 C ATOM 326 CG LYS A 22 -13.328 7.881 1.750 1.00 74.30 C ATOM 327 CD LYS A 22 -11.965 7.762 1.019 1.00 21.12 C ATOM 328 CE LYS A 22 -11.490 9.108 0.449 1.00 73.20 C ATOM 329 NZ LYS A 22 -10.100 9.047 -0.071 1.00 60.10 N ATOM 0 H LYS A 22 -16.106 9.799 2.432 1.00 74.25 H new ATOM 0 HA LYS A 22 -15.240 8.149 3.699 1.00 5.44 H new ATOM 0 HB2 LYS A 22 -12.632 9.527 2.981 1.00 45.44 H new ATOM 0 HB3 LYS A 22 -12.715 7.996 3.829 1.00 45.44 H new ATOM 0 HG2 LYS A 22 -13.729 6.882 1.919 1.00 74.30 H new ATOM 0 HG3 LYS A 22 -14.034 8.402 1.103 1.00 74.30 H new ATOM 0 HD2 LYS A 22 -11.216 7.379 1.712 1.00 21.12 H new ATOM 0 HD3 LYS A 22 -12.051 7.037 0.210 1.00 21.12 H new ATOM 0 HE2 LYS A 22 -12.161 9.417 -0.353 1.00 73.20 H new ATOM 0 HE3 LYS A 22 -11.551 9.870 1.226 1.00 73.20 H new ATOM 0 HZ1 LYS A 22 -9.761 10.010 -0.271 1.00 60.10 H new ATOM 0 HZ2 LYS A 22 -9.483 8.603 0.639 1.00 60.10 H new ATOM 0 HZ3 LYS A 22 -10.081 8.485 -0.946 1.00 60.10 H new ATOM 343 N LYS A 23 -13.803 8.707 6.082 1.00 24.01 N ATOM 344 CA LYS A 23 -13.887 8.868 7.569 1.00 34.32 C ATOM 345 C LYS A 23 -12.535 9.278 8.211 1.00 3.44 C ATOM 346 O LYS A 23 -12.476 10.277 8.930 1.00 43.34 O ATOM 347 CB LYS A 23 -14.418 7.561 8.227 1.00 71.01 C ATOM 348 CG LYS A 23 -15.798 7.079 7.709 1.00 12.34 C ATOM 349 CD LYS A 23 -16.940 8.091 7.981 1.00 21.42 C ATOM 350 CE LYS A 23 -18.301 7.598 7.452 1.00 63.54 C ATOM 351 NZ LYS A 23 -18.765 6.355 8.142 1.00 51.23 N ATOM 0 H LYS A 23 -13.143 7.992 5.777 1.00 24.01 H new ATOM 0 HA LYS A 23 -14.586 9.683 7.755 1.00 34.32 H new ATOM 0 HB2 LYS A 23 -13.688 6.768 8.064 1.00 71.01 H new ATOM 0 HB3 LYS A 23 -14.485 7.716 9.304 1.00 71.01 H new ATOM 0 HG2 LYS A 23 -15.732 6.895 6.637 1.00 12.34 H new ATOM 0 HG3 LYS A 23 -16.044 6.128 8.181 1.00 12.34 H new ATOM 0 HD2 LYS A 23 -17.014 8.271 9.053 1.00 21.42 H new ATOM 0 HD3 LYS A 23 -16.695 9.045 7.513 1.00 21.42 H new ATOM 0 HE2 LYS A 23 -19.045 8.383 7.585 1.00 63.54 H new ATOM 0 HE3 LYS A 23 -18.225 7.409 6.381 1.00 63.54 H new ATOM 0 HZ1 LYS A 23 -19.727 6.120 7.825 1.00 51.23 H new ATOM 0 HZ2 LYS A 23 -18.123 5.570 7.911 1.00 51.23 H new ATOM 0 HZ3 LYS A 23 -18.767 6.509 9.171 1.00 51.23 H new ATOM 365 N GLN A 24 -11.462 8.500 7.958 1.00 5.43 N ATOM 366 CA GLN A 24 -10.149 8.667 8.641 1.00 25.44 C ATOM 367 C GLN A 24 -9.322 9.775 7.973 1.00 10.13 C ATOM 368 O GLN A 24 -8.891 9.619 6.837 1.00 42.43 O ATOM 369 CB GLN A 24 -9.333 7.340 8.643 1.00 31.31 C ATOM 370 CG GLN A 24 -9.971 6.190 9.450 1.00 43.53 C ATOM 371 CD GLN A 24 -11.221 5.607 8.791 1.00 2.53 C ATOM 372 OE1 GLN A 24 -11.303 5.522 7.570 1.00 4.21 O ATOM 373 NE2 GLN A 24 -12.210 5.231 9.584 1.00 51.12 N ATOM 0 H GLN A 24 -11.474 7.740 7.278 1.00 5.43 H new ATOM 0 HA GLN A 24 -10.358 8.947 9.673 1.00 25.44 H new ATOM 0 HB2 GLN A 24 -9.198 7.011 7.613 1.00 31.31 H new ATOM 0 HB3 GLN A 24 -8.340 7.541 9.046 1.00 31.31 H new ATOM 0 HG2 GLN A 24 -9.235 5.397 9.582 1.00 43.53 H new ATOM 0 HG3 GLN A 24 -10.230 6.554 10.445 1.00 43.53 H new ATOM 0 HE21 GLN A 24 -12.112 5.314 10.596 1.00 51.12 H new ATOM 0 HE22 GLN A 24 -13.071 4.858 9.184 1.00 51.12 H new ATOM 382 N ILE A 25 -9.086 10.872 8.706 1.00 53.35 N ATOM 383 CA ILE A 25 -8.320 12.034 8.211 1.00 44.42 C ATOM 384 C ILE A 25 -6.814 11.718 8.351 1.00 34.32 C ATOM 385 O ILE A 25 -6.071 11.716 7.360 1.00 12.51 O ATOM 386 CB ILE A 25 -8.722 13.381 9.004 1.00 54.22 C ATOM 387 CG1 ILE A 25 -10.043 14.079 8.462 1.00 33.15 C ATOM 388 CG2 ILE A 25 -7.565 14.419 9.047 1.00 71.32 C ATOM 389 CD1 ILE A 25 -11.291 13.219 8.365 1.00 22.31 C ATOM 0 H ILE A 25 -9.421 10.983 9.663 1.00 53.35 H new ATOM 0 HA ILE A 25 -8.557 12.213 7.162 1.00 44.42 H new ATOM 0 HB ILE A 25 -8.926 13.038 10.018 1.00 54.22 H new ATOM 0 HG12 ILE A 25 -10.267 14.928 9.108 1.00 33.15 H new ATOM 0 HG13 ILE A 25 -9.831 14.480 7.471 1.00 33.15 H new ATOM 0 HG21 ILE A 25 -7.891 15.305 9.592 1.00 71.32 H new ATOM 0 HG22 ILE A 25 -6.702 13.981 9.549 1.00 71.32 H new ATOM 0 HG23 ILE A 25 -7.290 14.700 8.030 1.00 71.32 H new ATOM 0 HD11 ILE A 25 -12.117 13.818 7.982 1.00 22.31 H new ATOM 0 HD12 ILE A 25 -11.105 12.383 7.690 1.00 22.31 H new ATOM 0 HD13 ILE A 25 -11.548 12.837 9.353 1.00 22.31 H new ATOM 401 N GLU A 26 -6.413 11.381 9.594 1.00 53.43 N ATOM 402 CA GLU A 26 -5.005 11.154 9.982 1.00 45.54 C ATOM 403 C GLU A 26 -4.440 9.909 9.288 1.00 12.45 C ATOM 404 O GLU A 26 -3.361 9.956 8.695 1.00 52.34 O ATOM 405 CB GLU A 26 -4.901 10.989 11.518 1.00 12.25 C ATOM 406 CG GLU A 26 -5.574 12.114 12.314 1.00 72.41 C ATOM 407 CD GLU A 26 -5.550 11.843 13.819 1.00 43.51 C ATOM 408 OE1 GLU A 26 -6.504 11.257 14.343 1.00 43.12 O ATOM 409 OE2 GLU A 26 -4.564 12.193 14.482 1.00 70.35 O ATOM 0 H GLU A 26 -7.067 11.257 10.367 1.00 53.43 H new ATOM 0 HA GLU A 26 -4.420 12.019 9.669 1.00 45.54 H new ATOM 0 HB2 GLU A 26 -5.351 10.038 11.802 1.00 12.25 H new ATOM 0 HB3 GLU A 26 -3.849 10.940 11.797 1.00 12.25 H new ATOM 0 HG2 GLU A 26 -5.068 13.057 12.107 1.00 72.41 H new ATOM 0 HG3 GLU A 26 -6.606 12.226 11.982 1.00 72.41 H new ATOM 416 N PHE A 27 -5.224 8.811 9.356 1.00 52.21 N ATOM 417 CA PHE A 27 -4.834 7.490 8.827 1.00 3.24 C ATOM 418 C PHE A 27 -4.632 7.572 7.301 1.00 5.12 C ATOM 419 O PHE A 27 -3.657 7.037 6.766 1.00 13.41 O ATOM 420 CB PHE A 27 -5.892 6.403 9.220 1.00 22.42 C ATOM 421 CG PHE A 27 -5.358 4.966 9.276 1.00 22.05 C ATOM 422 CD1 PHE A 27 -5.497 4.079 8.206 1.00 62.14 C ATOM 423 CD2 PHE A 27 -4.711 4.501 10.428 1.00 45.23 C ATOM 424 CE1 PHE A 27 -4.999 2.785 8.290 1.00 10.31 C ATOM 425 CE2 PHE A 27 -4.218 3.215 10.503 1.00 54.42 C ATOM 426 CZ PHE A 27 -4.370 2.357 9.436 1.00 21.41 C ATOM 0 H PHE A 27 -6.151 8.819 9.783 1.00 52.21 H new ATOM 0 HA PHE A 27 -3.886 7.191 9.273 1.00 3.24 H new ATOM 0 HB2 PHE A 27 -6.307 6.658 10.195 1.00 22.42 H new ATOM 0 HB3 PHE A 27 -6.713 6.441 8.504 1.00 22.42 H new ATOM 0 HD1 PHE A 27 -5.996 4.402 7.305 1.00 62.14 H new ATOM 0 HD2 PHE A 27 -4.596 5.162 11.274 1.00 45.23 H new ATOM 0 HE1 PHE A 27 -5.106 2.112 7.452 1.00 10.31 H new ATOM 0 HE2 PHE A 27 -3.713 2.881 11.397 1.00 54.42 H new ATOM 0 HZ PHE A 27 -3.995 1.346 9.499 1.00 21.41 H new ATOM 436 N GLU A 28 -5.533 8.319 6.632 1.00 24.13 N ATOM 437 CA GLU A 28 -5.490 8.501 5.180 1.00 65.10 C ATOM 438 C GLU A 28 -4.273 9.350 4.765 1.00 30.24 C ATOM 439 O GLU A 28 -3.565 8.990 3.822 1.00 24.41 O ATOM 440 CB GLU A 28 -6.787 9.150 4.660 1.00 22.45 C ATOM 441 CG GLU A 28 -6.866 9.257 3.124 1.00 63.25 C ATOM 442 CD GLU A 28 -8.183 9.853 2.645 1.00 42.21 C ATOM 443 OE1 GLU A 28 -8.193 11.003 2.161 1.00 11.44 O ATOM 444 OE2 GLU A 28 -9.221 9.185 2.772 1.00 12.52 O ATOM 0 H GLU A 28 -6.304 8.808 7.086 1.00 24.13 H new ATOM 0 HA GLU A 28 -5.395 7.512 4.731 1.00 65.10 H new ATOM 0 HB2 GLU A 28 -7.639 8.571 5.017 1.00 22.45 H new ATOM 0 HB3 GLU A 28 -6.878 10.148 5.088 1.00 22.45 H new ATOM 0 HG2 GLU A 28 -6.041 9.871 2.763 1.00 63.25 H new ATOM 0 HG3 GLU A 28 -6.740 8.266 2.688 1.00 63.25 H new ATOM 451 N ASN A 29 -4.022 10.468 5.497 1.00 54.10 N ATOM 452 CA ASN A 29 -2.948 11.421 5.143 1.00 35.33 C ATOM 453 C ASN A 29 -1.570 10.774 5.330 1.00 13.00 C ATOM 454 O ASN A 29 -0.673 10.970 4.512 1.00 73.44 O ATOM 455 CB ASN A 29 -3.024 12.734 5.971 1.00 62.33 C ATOM 456 CG ASN A 29 -4.258 13.587 5.674 1.00 53.22 C ATOM 457 OD1 ASN A 29 -4.941 13.403 4.669 1.00 72.43 O ATOM 458 ND2 ASN A 29 -4.518 14.563 6.520 1.00 5.52 N ATOM 0 H ASN A 29 -4.549 10.726 6.331 1.00 54.10 H new ATOM 0 HA ASN A 29 -3.093 11.681 4.094 1.00 35.33 H new ATOM 0 HB2 ASN A 29 -3.015 12.483 7.032 1.00 62.33 H new ATOM 0 HB3 ASN A 29 -2.130 13.326 5.776 1.00 62.33 H new ATOM 0 HD21 ASN A 29 -5.304 15.190 6.349 1.00 5.52 H new ATOM 0 HD22 ASN A 29 -3.933 14.691 7.346 1.00 5.52 H new ATOM 465 N GLU A 30 -1.438 9.973 6.404 1.00 71.33 N ATOM 466 CA GLU A 30 -0.173 9.297 6.757 1.00 51.34 C ATOM 467 C GLU A 30 0.105 8.152 5.782 1.00 42.34 C ATOM 468 O GLU A 30 1.245 7.965 5.345 1.00 41.01 O ATOM 469 CB GLU A 30 -0.194 8.764 8.216 1.00 34.14 C ATOM 470 CG GLU A 30 0.006 9.832 9.312 1.00 72.35 C ATOM 471 CD GLU A 30 0.043 9.200 10.706 1.00 74.30 C ATOM 472 OE1 GLU A 30 1.102 8.664 11.096 1.00 65.24 O ATOM 473 OE2 GLU A 30 -0.986 9.214 11.408 1.00 35.22 O ATOM 0 H GLU A 30 -2.202 9.776 7.050 1.00 71.33 H new ATOM 0 HA GLU A 30 0.627 10.034 6.684 1.00 51.34 H new ATOM 0 HB2 GLU A 30 -1.147 8.264 8.389 1.00 34.14 H new ATOM 0 HB3 GLU A 30 0.586 8.009 8.321 1.00 34.14 H new ATOM 0 HG2 GLU A 30 0.935 10.372 9.131 1.00 72.35 H new ATOM 0 HG3 GLU A 30 -0.802 10.562 9.263 1.00 72.35 H new ATOM 480 N LEU A 31 -0.967 7.424 5.423 1.00 65.12 N ATOM 481 CA LEU A 31 -0.869 6.261 4.485 1.00 24.12 C ATOM 482 C LEU A 31 -0.408 6.769 3.115 1.00 11.21 C ATOM 483 O LEU A 31 0.531 6.225 2.521 1.00 22.13 O ATOM 484 CB LEU A 31 -2.214 5.445 4.360 1.00 31.13 C ATOM 485 CG LEU A 31 -2.177 4.095 3.504 1.00 11.23 C ATOM 486 CD1 LEU A 31 -3.200 3.035 4.001 1.00 52.15 C ATOM 487 CD2 LEU A 31 -2.395 4.317 1.981 1.00 64.41 C ATOM 0 H LEU A 31 -1.912 7.609 5.759 1.00 65.12 H new ATOM 0 HA LEU A 31 -0.140 5.562 4.895 1.00 24.12 H new ATOM 0 HB2 LEU A 31 -2.553 5.197 5.366 1.00 31.13 H new ATOM 0 HB3 LEU A 31 -2.967 6.101 3.923 1.00 31.13 H new ATOM 0 HG LEU A 31 -1.166 3.719 3.658 1.00 11.23 H new ATOM 0 HD11 LEU A 31 -3.128 2.141 3.381 1.00 52.15 H new ATOM 0 HD12 LEU A 31 -2.982 2.777 5.037 1.00 52.15 H new ATOM 0 HD13 LEU A 31 -4.209 3.443 3.933 1.00 52.15 H new ATOM 0 HD21 LEU A 31 -2.357 3.358 1.464 1.00 64.41 H new ATOM 0 HD22 LEU A 31 -3.368 4.780 1.816 1.00 64.41 H new ATOM 0 HD23 LEU A 31 -1.613 4.969 1.593 1.00 64.41 H new ATOM 499 N ARG A 32 -1.057 7.856 2.652 1.00 34.30 N ATOM 500 CA ARG A 32 -0.876 8.354 1.296 1.00 43.13 C ATOM 501 C ARG A 32 0.447 9.136 1.152 1.00 62.02 C ATOM 502 O ARG A 32 1.076 9.099 0.090 1.00 72.12 O ATOM 503 CB ARG A 32 -2.099 9.199 0.845 1.00 3.54 C ATOM 504 CG ARG A 32 -2.144 9.410 -0.678 1.00 22.14 C ATOM 505 CD ARG A 32 -3.479 9.932 -1.204 1.00 44.24 C ATOM 506 NE ARG A 32 -3.456 9.980 -2.668 1.00 61.31 N ATOM 507 CZ ARG A 32 -4.527 9.933 -3.469 1.00 73.53 C ATOM 508 NH1 ARG A 32 -5.760 9.837 -2.978 1.00 35.22 N ATOM 509 NH2 ARG A 32 -4.349 9.980 -4.770 1.00 62.23 N ATOM 0 H ARG A 32 -1.713 8.401 3.211 1.00 34.30 H new ATOM 0 HA ARG A 32 -0.810 7.493 0.631 1.00 43.13 H new ATOM 0 HB2 ARG A 32 -3.016 8.705 1.167 1.00 3.54 H new ATOM 0 HB3 ARG A 32 -2.069 10.169 1.342 1.00 3.54 H new ATOM 0 HG2 ARG A 32 -1.358 10.111 -0.959 1.00 22.14 H new ATOM 0 HG3 ARG A 32 -1.918 8.464 -1.170 1.00 22.14 H new ATOM 0 HD2 ARG A 32 -4.290 9.287 -0.866 1.00 44.24 H new ATOM 0 HD3 ARG A 32 -3.674 10.926 -0.802 1.00 44.24 H new ATOM 0 HE ARG A 32 -2.543 10.056 -3.116 1.00 61.31 H new ATOM 0 HH11 ARG A 32 -5.906 9.798 -1.969 1.00 35.22 H new ATOM 0 HH12 ARG A 32 -6.560 9.803 -3.610 1.00 35.22 H new ATOM 0 HH21 ARG A 32 -3.407 10.051 -5.154 1.00 62.23 H new ATOM 0 HH22 ARG A 32 -5.153 9.945 -5.396 1.00 62.23 H new ATOM 523 N SER A 33 0.873 9.813 2.241 1.00 33.11 N ATOM 524 CA SER A 33 2.126 10.591 2.267 1.00 54.35 C ATOM 525 C SER A 33 3.355 9.663 2.187 1.00 72.14 C ATOM 526 O SER A 33 4.376 10.022 1.587 1.00 52.04 O ATOM 527 CB SER A 33 2.198 11.470 3.531 1.00 71.50 C ATOM 528 OG SER A 33 3.325 12.325 3.501 1.00 71.02 O ATOM 0 H SER A 33 0.359 9.834 3.122 1.00 33.11 H new ATOM 0 HA SER A 33 2.133 11.242 1.393 1.00 54.35 H new ATOM 0 HB2 SER A 33 1.289 12.066 3.614 1.00 71.50 H new ATOM 0 HB3 SER A 33 2.244 10.835 4.416 1.00 71.50 H new ATOM 0 HG SER A 33 3.343 12.871 4.315 1.00 71.02 H new ATOM 534 N MET A 34 3.241 8.458 2.784 1.00 5.42 N ATOM 535 CA MET A 34 4.325 7.449 2.753 1.00 53.15 C ATOM 536 C MET A 34 4.269 6.642 1.448 1.00 24.20 C ATOM 537 O MET A 34 5.315 6.237 0.915 1.00 53.12 O ATOM 538 CB MET A 34 4.267 6.499 3.987 1.00 11.23 C ATOM 539 CG MET A 34 4.487 7.169 5.357 1.00 23.11 C ATOM 540 SD MET A 34 4.575 5.968 6.699 1.00 35.21 S ATOM 541 CE MET A 34 2.946 5.213 6.663 1.00 12.23 C ATOM 0 H MET A 34 2.410 8.159 3.294 1.00 5.42 H new ATOM 0 HA MET A 34 5.274 7.984 2.797 1.00 53.15 H new ATOM 0 HB2 MET A 34 3.295 6.005 3.997 1.00 11.23 H new ATOM 0 HB3 MET A 34 5.019 5.721 3.859 1.00 11.23 H new ATOM 0 HG2 MET A 34 5.409 7.750 5.331 1.00 23.11 H new ATOM 0 HG3 MET A 34 3.674 7.869 5.551 1.00 23.11 H new ATOM 0 HE1 MET A 34 2.536 5.184 7.673 1.00 12.23 H new ATOM 0 HE2 MET A 34 2.288 5.798 6.021 1.00 12.23 H new ATOM 0 HE3 MET A 34 3.024 4.198 6.274 1.00 12.23 H new ATOM 551 N LEU A 35 3.043 6.430 0.916 1.00 53.34 N ATOM 552 CA LEU A 35 2.860 5.742 -0.394 1.00 62.13 C ATOM 553 C LEU A 35 3.427 6.653 -1.507 1.00 74.01 C ATOM 554 O LEU A 35 3.934 6.156 -2.506 1.00 2.44 O ATOM 555 CB LEU A 35 1.353 5.340 -0.655 1.00 44.13 C ATOM 556 CG LEU A 35 1.031 4.261 -1.776 1.00 73.50 C ATOM 557 CD1 LEU A 35 -0.326 3.568 -1.532 1.00 73.44 C ATOM 558 CD2 LEU A 35 1.050 4.863 -3.192 1.00 42.32 C ATOM 0 H LEU A 35 2.173 6.719 1.363 1.00 53.34 H new ATOM 0 HA LEU A 35 3.408 4.800 -0.387 1.00 62.13 H new ATOM 0 HB2 LEU A 35 0.942 4.972 0.285 1.00 44.13 H new ATOM 0 HB3 LEU A 35 0.808 6.250 -0.906 1.00 44.13 H new ATOM 0 HG LEU A 35 1.826 3.518 -1.708 1.00 73.50 H new ATOM 0 HD11 LEU A 35 -0.509 2.838 -2.320 1.00 73.44 H new ATOM 0 HD12 LEU A 35 -0.308 3.063 -0.566 1.00 73.44 H new ATOM 0 HD13 LEU A 35 -1.121 4.313 -1.537 1.00 73.44 H new ATOM 0 HD21 LEU A 35 0.824 4.085 -3.921 1.00 42.32 H new ATOM 0 HD22 LEU A 35 0.303 5.653 -3.261 1.00 42.32 H new ATOM 0 HD23 LEU A 35 2.037 5.278 -3.398 1.00 42.32 H new ATOM 570 N ALA A 36 3.378 7.986 -1.272 1.00 30.51 N ATOM 571 CA ALA A 36 3.992 9.000 -2.144 1.00 3.02 C ATOM 572 C ALA A 36 5.497 8.751 -2.307 1.00 35.44 C ATOM 573 O ALA A 36 5.999 8.691 -3.429 1.00 52.32 O ATOM 574 CB ALA A 36 3.758 10.406 -1.575 1.00 52.44 C ATOM 0 H ALA A 36 2.905 8.385 -0.462 1.00 30.51 H new ATOM 0 HA ALA A 36 3.522 8.926 -3.124 1.00 3.02 H new ATOM 0 HB1 ALA A 36 4.218 11.145 -2.231 1.00 52.44 H new ATOM 0 HB2 ALA A 36 2.687 10.597 -1.507 1.00 52.44 H new ATOM 0 HB3 ALA A 36 4.203 10.475 -0.582 1.00 52.44 H new ATOM 580 N THR A 37 6.193 8.583 -1.161 1.00 44.44 N ATOM 581 CA THR A 37 7.635 8.290 -1.126 1.00 24.53 C ATOM 582 C THR A 37 7.937 6.945 -1.825 1.00 60.14 C ATOM 583 O THR A 37 8.921 6.825 -2.567 1.00 2.52 O ATOM 584 CB THR A 37 8.171 8.262 0.338 1.00 54.25 C ATOM 585 OG1 THR A 37 7.796 9.473 1.005 1.00 62.00 O ATOM 586 CG2 THR A 37 9.701 8.112 0.392 1.00 11.12 C ATOM 0 H THR A 37 5.767 8.648 -0.237 1.00 44.44 H new ATOM 0 HA THR A 37 8.146 9.089 -1.663 1.00 24.53 H new ATOM 0 HB THR A 37 7.731 7.396 0.833 1.00 54.25 H new ATOM 0 HG1 THR A 37 8.131 9.456 1.926 1.00 62.00 H new ATOM 0 HG21 THR A 37 10.029 8.097 1.431 1.00 11.12 H new ATOM 0 HG22 THR A 37 9.993 7.181 -0.094 1.00 11.12 H new ATOM 0 HG23 THR A 37 10.167 8.952 -0.124 1.00 11.12 H new ATOM 594 N ALA A 38 7.056 5.959 -1.589 1.00 63.34 N ATOM 595 CA ALA A 38 7.159 4.619 -2.189 1.00 2.45 C ATOM 596 C ALA A 38 6.914 4.648 -3.720 1.00 74.00 C ATOM 597 O ALA A 38 7.425 3.787 -4.442 1.00 43.25 O ATOM 598 CB ALA A 38 6.195 3.659 -1.480 1.00 73.33 C ATOM 0 H ALA A 38 6.249 6.070 -0.974 1.00 63.34 H new ATOM 0 HA ALA A 38 8.178 4.258 -2.049 1.00 2.45 H new ATOM 0 HB1 ALA A 38 6.274 2.668 -1.927 1.00 73.33 H new ATOM 0 HB2 ALA A 38 6.451 3.601 -0.422 1.00 73.33 H new ATOM 0 HB3 ALA A 38 5.174 4.025 -1.586 1.00 73.33 H new ATOM 604 N LEU A 39 6.147 5.653 -4.216 1.00 11.14 N ATOM 605 CA LEU A 39 5.975 5.872 -5.673 1.00 21.51 C ATOM 606 C LEU A 39 7.257 6.476 -6.269 1.00 34.34 C ATOM 607 O LEU A 39 7.648 6.125 -7.387 1.00 3.34 O ATOM 608 CB LEU A 39 4.760 6.803 -6.020 1.00 14.05 C ATOM 609 CG LEU A 39 3.309 6.338 -5.630 1.00 52.24 C ATOM 610 CD1 LEU A 39 2.275 7.440 -5.932 1.00 41.02 C ATOM 611 CD2 LEU A 39 2.885 5.001 -6.304 1.00 73.12 C ATOM 0 H LEU A 39 5.642 6.319 -3.632 1.00 11.14 H new ATOM 0 HA LEU A 39 5.770 4.894 -6.109 1.00 21.51 H new ATOM 0 HB2 LEU A 39 4.937 7.767 -5.542 1.00 14.05 H new ATOM 0 HB3 LEU A 39 4.773 6.974 -7.096 1.00 14.05 H new ATOM 0 HG LEU A 39 3.335 6.152 -4.556 1.00 52.24 H new ATOM 0 HD11 LEU A 39 1.280 7.092 -5.653 1.00 41.02 H new ATOM 0 HD12 LEU A 39 2.520 8.335 -5.360 1.00 41.02 H new ATOM 0 HD13 LEU A 39 2.292 7.673 -6.997 1.00 41.02 H new ATOM 0 HD21 LEU A 39 1.874 4.740 -5.991 1.00 73.12 H new ATOM 0 HD22 LEU A 39 2.911 5.116 -7.388 1.00 73.12 H new ATOM 0 HD23 LEU A 39 3.573 4.209 -6.006 1.00 73.12 H new ATOM 623 N GLU A 40 7.886 7.393 -5.519 1.00 14.43 N ATOM 624 CA GLU A 40 9.110 8.086 -5.970 1.00 45.31 C ATOM 625 C GLU A 40 10.331 7.153 -5.937 1.00 73.44 C ATOM 626 O GLU A 40 11.290 7.359 -6.688 1.00 11.01 O ATOM 627 CB GLU A 40 9.368 9.364 -5.122 1.00 33.43 C ATOM 628 CG GLU A 40 8.205 10.382 -5.117 1.00 14.03 C ATOM 629 CD GLU A 40 7.746 10.811 -6.516 1.00 52.40 C ATOM 630 OE1 GLU A 40 8.384 11.699 -7.114 1.00 15.54 O ATOM 631 OE2 GLU A 40 6.748 10.264 -7.026 1.00 1.31 O ATOM 0 H GLU A 40 7.568 7.676 -4.592 1.00 14.43 H new ATOM 0 HA GLU A 40 8.954 8.388 -7.006 1.00 45.31 H new ATOM 0 HB2 GLU A 40 9.576 9.066 -4.094 1.00 33.43 H new ATOM 0 HB3 GLU A 40 10.264 9.858 -5.498 1.00 33.43 H new ATOM 0 HG2 GLU A 40 7.358 9.948 -4.585 1.00 14.03 H new ATOM 0 HG3 GLU A 40 8.512 11.267 -4.559 1.00 14.03 H new ATOM 638 N LYS A 41 10.300 6.135 -5.061 1.00 63.33 N ATOM 639 CA LYS A 41 11.366 5.125 -4.988 1.00 42.23 C ATOM 640 C LYS A 41 11.065 3.951 -5.926 1.00 61.22 C ATOM 641 O LYS A 41 9.903 3.648 -6.189 1.00 11.21 O ATOM 642 CB LYS A 41 11.548 4.612 -3.548 1.00 33.03 C ATOM 643 CG LYS A 41 12.105 5.661 -2.560 1.00 5.23 C ATOM 644 CD LYS A 41 12.634 4.977 -1.250 1.00 34.33 C ATOM 645 CE LYS A 41 13.334 5.880 -0.169 1.00 10.45 C ATOM 646 NZ LYS A 41 13.663 5.084 1.048 1.00 53.23 N ATOM 0 H LYS A 41 9.544 5.991 -4.391 1.00 63.33 H new ATOM 0 HA LYS A 41 12.294 5.601 -5.304 1.00 42.23 H new ATOM 0 HB2 LYS A 41 10.586 4.257 -3.178 1.00 33.03 H new ATOM 0 HB3 LYS A 41 12.220 3.754 -3.564 1.00 33.03 H new ATOM 0 HG2 LYS A 41 12.912 6.219 -3.034 1.00 5.23 H new ATOM 0 HG3 LYS A 41 11.325 6.380 -2.309 1.00 5.23 H new ATOM 0 HD2 LYS A 41 11.791 4.478 -0.772 1.00 34.33 H new ATOM 0 HD3 LYS A 41 13.340 4.200 -1.542 1.00 34.33 H new ATOM 0 HE2 LYS A 41 14.244 6.313 -0.584 1.00 10.45 H new ATOM 0 HE3 LYS A 41 12.679 6.710 0.099 1.00 10.45 H new ATOM 0 HZ1 LYS A 41 13.536 5.675 1.894 1.00 53.23 H new ATOM 0 HZ2 LYS A 41 13.032 4.259 1.104 1.00 53.23 H new ATOM 0 HZ3 LYS A 41 14.650 4.762 0.996 1.00 53.23 H new ATOM 660 N ASP A 42 12.140 3.279 -6.377 1.00 1.22 N ATOM 661 CA ASP A 42 12.063 2.159 -7.335 1.00 74.31 C ATOM 662 C ASP A 42 11.580 0.876 -6.626 1.00 30.53 C ATOM 663 O ASP A 42 12.360 0.188 -5.960 1.00 2.32 O ATOM 664 CB ASP A 42 13.448 1.919 -8.008 1.00 41.32 C ATOM 665 CG ASP A 42 13.936 3.114 -8.832 1.00 34.25 C ATOM 666 OD1 ASP A 42 13.633 3.185 -10.036 1.00 20.35 O ATOM 667 OD2 ASP A 42 14.610 4.000 -8.278 1.00 12.10 O ATOM 0 H ASP A 42 13.093 3.499 -6.086 1.00 1.22 H new ATOM 0 HA ASP A 42 11.343 2.419 -8.111 1.00 74.31 H new ATOM 0 HB2 ASP A 42 14.185 1.693 -7.237 1.00 41.32 H new ATOM 0 HB3 ASP A 42 13.384 1.043 -8.654 1.00 41.32 H new ATOM 672 N ILE A 43 10.279 0.589 -6.742 1.00 50.33 N ATOM 673 CA ILE A 43 9.656 -0.600 -6.118 1.00 2.10 C ATOM 674 C ILE A 43 9.432 -1.707 -7.181 1.00 73.34 C ATOM 675 O ILE A 43 9.457 -1.427 -8.388 1.00 3.24 O ATOM 676 CB ILE A 43 8.322 -0.213 -5.370 1.00 34.34 C ATOM 677 CG1 ILE A 43 7.276 0.442 -6.319 1.00 42.42 C ATOM 678 CG2 ILE A 43 8.624 0.716 -4.167 1.00 54.00 C ATOM 679 CD1 ILE A 43 6.022 0.944 -5.618 1.00 24.42 C ATOM 0 H ILE A 43 9.624 1.168 -7.268 1.00 50.33 H new ATOM 0 HA ILE A 43 10.334 -0.999 -5.364 1.00 2.10 H new ATOM 0 HB ILE A 43 7.881 -1.140 -5.002 1.00 34.34 H new ATOM 0 HG12 ILE A 43 7.747 1.277 -6.838 1.00 42.42 H new ATOM 0 HG13 ILE A 43 6.987 -0.284 -7.079 1.00 42.42 H new ATOM 0 HG21 ILE A 43 7.692 0.973 -3.663 1.00 54.00 H new ATOM 0 HG22 ILE A 43 9.285 0.203 -3.468 1.00 54.00 H new ATOM 0 HG23 ILE A 43 9.107 1.626 -4.522 1.00 54.00 H new ATOM 0 HD11 ILE A 43 5.347 1.385 -6.351 1.00 24.42 H new ATOM 0 HD12 ILE A 43 5.524 0.111 -5.122 1.00 24.42 H new ATOM 0 HD13 ILE A 43 6.295 1.696 -4.878 1.00 24.42 H new ATOM 691 N SER A 44 9.242 -2.965 -6.720 1.00 41.15 N ATOM 692 CA SER A 44 9.090 -4.166 -7.597 1.00 44.24 C ATOM 693 C SER A 44 7.776 -4.083 -8.413 1.00 11.34 C ATOM 694 O SER A 44 6.838 -3.431 -7.968 1.00 72.05 O ATOM 695 CB SER A 44 9.169 -5.451 -6.710 1.00 24.33 C ATOM 696 OG SER A 44 8.265 -5.402 -5.625 1.00 14.23 O ATOM 0 H SER A 44 9.188 -3.184 -5.725 1.00 41.15 H new ATOM 0 HA SER A 44 9.899 -4.207 -8.326 1.00 44.24 H new ATOM 0 HB2 SER A 44 8.954 -6.327 -7.322 1.00 24.33 H new ATOM 0 HB3 SER A 44 10.184 -5.568 -6.331 1.00 24.33 H new ATOM 0 HG SER A 44 8.344 -6.223 -5.096 1.00 14.23 H new ATOM 702 N GLN A 45 7.738 -4.712 -9.625 1.00 55.33 N ATOM 703 CA GLN A 45 6.576 -4.651 -10.548 1.00 72.42 C ATOM 704 C GLN A 45 5.204 -4.916 -9.858 1.00 20.43 C ATOM 705 O GLN A 45 4.228 -4.198 -10.115 1.00 73.10 O ATOM 706 CB GLN A 45 6.778 -5.619 -11.762 1.00 3.52 C ATOM 707 CG GLN A 45 5.614 -5.640 -12.780 1.00 54.12 C ATOM 708 CD GLN A 45 5.934 -6.424 -14.052 1.00 25.41 C ATOM 709 OE1 GLN A 45 5.659 -7.617 -14.161 1.00 43.11 O ATOM 710 NE2 GLN A 45 6.551 -5.755 -15.013 1.00 5.50 N ATOM 0 H GLN A 45 8.512 -5.272 -9.983 1.00 55.33 H new ATOM 0 HA GLN A 45 6.538 -3.622 -10.906 1.00 72.42 H new ATOM 0 HB2 GLN A 45 7.693 -5.337 -12.284 1.00 3.52 H new ATOM 0 HB3 GLN A 45 6.926 -6.629 -11.381 1.00 3.52 H new ATOM 0 HG2 GLN A 45 4.734 -6.075 -12.306 1.00 54.12 H new ATOM 0 HG3 GLN A 45 5.358 -4.615 -13.049 1.00 54.12 H new ATOM 0 HE21 GLN A 45 6.764 -4.765 -14.889 1.00 5.50 H new ATOM 0 HE22 GLN A 45 6.813 -6.229 -15.877 1.00 5.50 H new ATOM 719 N GLU A 46 5.165 -5.907 -8.949 1.00 31.24 N ATOM 720 CA GLU A 46 3.919 -6.358 -8.291 1.00 63.31 C ATOM 721 C GLU A 46 3.540 -5.404 -7.134 1.00 53.25 C ATOM 722 O GLU A 46 2.373 -5.309 -6.742 1.00 41.13 O ATOM 723 CB GLU A 46 4.077 -7.815 -7.752 1.00 20.04 C ATOM 724 CG GLU A 46 4.377 -8.909 -8.813 1.00 71.50 C ATOM 725 CD GLU A 46 5.733 -8.762 -9.524 1.00 14.41 C ATOM 726 OE1 GLU A 46 6.760 -8.552 -8.831 1.00 51.23 O ATOM 727 OE2 GLU A 46 5.792 -8.837 -10.773 1.00 73.10 O ATOM 0 H GLU A 46 5.994 -6.419 -8.648 1.00 31.24 H new ATOM 0 HA GLU A 46 3.120 -6.345 -9.033 1.00 63.31 H new ATOM 0 HB2 GLU A 46 4.880 -7.823 -7.015 1.00 20.04 H new ATOM 0 HB3 GLU A 46 3.161 -8.088 -7.228 1.00 20.04 H new ATOM 0 HG2 GLU A 46 4.340 -9.885 -8.329 1.00 71.50 H new ATOM 0 HG3 GLU A 46 3.586 -8.895 -9.563 1.00 71.50 H new ATOM 734 N GLU A 47 4.558 -4.702 -6.614 1.00 21.23 N ATOM 735 CA GLU A 47 4.432 -3.758 -5.483 1.00 75.20 C ATOM 736 C GLU A 47 3.924 -2.391 -6.007 1.00 13.13 C ATOM 737 O GLU A 47 3.088 -1.744 -5.379 1.00 44.33 O ATOM 738 CB GLU A 47 5.825 -3.665 -4.780 1.00 22.23 C ATOM 739 CG GLU A 47 5.964 -2.756 -3.540 1.00 2.13 C ATOM 740 CD GLU A 47 7.357 -2.874 -2.858 1.00 44.11 C ATOM 741 OE1 GLU A 47 7.447 -2.788 -1.612 1.00 45.42 O ATOM 742 OE2 GLU A 47 8.368 -3.082 -3.575 1.00 10.45 O ATOM 0 H GLU A 47 5.511 -4.773 -6.971 1.00 21.23 H new ATOM 0 HA GLU A 47 3.703 -4.099 -4.748 1.00 75.20 H new ATOM 0 HB2 GLU A 47 6.116 -4.673 -4.486 1.00 22.23 H new ATOM 0 HB3 GLU A 47 6.549 -3.327 -5.522 1.00 22.23 H new ATOM 0 HG2 GLU A 47 5.795 -1.720 -3.834 1.00 2.13 H new ATOM 0 HG3 GLU A 47 5.189 -3.013 -2.818 1.00 2.13 H new ATOM 749 N ARG A 48 4.433 -2.002 -7.203 1.00 2.50 N ATOM 750 CA ARG A 48 3.913 -0.880 -8.024 1.00 14.12 C ATOM 751 C ARG A 48 2.436 -1.125 -8.355 1.00 24.44 C ATOM 752 O ARG A 48 1.600 -0.247 -8.161 1.00 70.03 O ATOM 753 CB ARG A 48 4.772 -0.749 -9.318 1.00 53.45 C ATOM 754 CG ARG A 48 4.176 0.125 -10.457 1.00 72.24 C ATOM 755 CD ARG A 48 4.057 1.616 -10.112 1.00 61.32 C ATOM 756 NE ARG A 48 3.497 2.412 -11.214 1.00 55.14 N ATOM 757 CZ ARG A 48 3.437 3.753 -11.224 1.00 15.33 C ATOM 758 NH1 ARG A 48 3.899 4.467 -10.199 1.00 55.13 N ATOM 759 NH2 ARG A 48 2.896 4.371 -12.258 1.00 25.30 N ATOM 0 H ARG A 48 5.232 -2.469 -7.632 1.00 2.50 H new ATOM 0 HA ARG A 48 3.983 0.056 -7.469 1.00 14.12 H new ATOM 0 HB2 ARG A 48 5.743 -0.337 -9.043 1.00 53.45 H new ATOM 0 HB3 ARG A 48 4.950 -1.749 -9.713 1.00 53.45 H new ATOM 0 HG2 ARG A 48 4.799 0.018 -11.345 1.00 72.24 H new ATOM 0 HG3 ARG A 48 3.188 -0.257 -10.713 1.00 72.24 H new ATOM 0 HD2 ARG A 48 3.427 1.731 -9.230 1.00 61.32 H new ATOM 0 HD3 ARG A 48 5.042 2.004 -9.853 1.00 61.32 H new ATOM 0 HE ARG A 48 3.130 1.913 -12.024 1.00 55.14 H new ATOM 0 HH11 ARG A 48 4.306 3.995 -9.391 1.00 55.13 H new ATOM 0 HH12 ARG A 48 3.846 5.485 -10.222 1.00 55.13 H new ATOM 0 HH21 ARG A 48 2.528 3.830 -13.040 1.00 25.30 H new ATOM 0 HH22 ARG A 48 2.846 5.390 -12.274 1.00 25.30 H new ATOM 773 N ASN A 49 2.149 -2.353 -8.826 1.00 50.41 N ATOM 774 CA ASN A 49 0.797 -2.798 -9.195 1.00 51.21 C ATOM 775 C ASN A 49 -0.174 -2.647 -7.997 1.00 32.42 C ATOM 776 O ASN A 49 -1.246 -2.051 -8.139 1.00 61.31 O ATOM 777 CB ASN A 49 0.876 -4.269 -9.691 1.00 43.30 C ATOM 778 CG ASN A 49 -0.410 -4.825 -10.311 1.00 1.14 C ATOM 779 OD1 ASN A 49 -1.516 -4.447 -9.952 1.00 32.14 O ATOM 780 ND2 ASN A 49 -0.268 -5.752 -11.238 1.00 60.12 N ATOM 0 H ASN A 49 2.860 -3.071 -8.962 1.00 50.41 H new ATOM 0 HA ASN A 49 0.405 -2.175 -9.999 1.00 51.21 H new ATOM 0 HB2 ASN A 49 1.676 -4.343 -10.428 1.00 43.30 H new ATOM 0 HB3 ASN A 49 1.157 -4.903 -8.850 1.00 43.30 H new ATOM 0 HD21 ASN A 49 -1.091 -6.170 -11.672 1.00 60.12 H new ATOM 0 HD22 ASN A 49 0.665 -6.051 -11.521 1.00 60.12 H new ATOM 787 N ALA A 50 0.250 -3.149 -6.824 1.00 12.33 N ATOM 788 CA ALA A 50 -0.550 -3.132 -5.588 1.00 3.15 C ATOM 789 C ALA A 50 -0.864 -1.700 -5.095 1.00 43.43 C ATOM 790 O ALA A 50 -2.024 -1.392 -4.783 1.00 61.41 O ATOM 791 CB ALA A 50 0.177 -3.927 -4.500 1.00 30.33 C ATOM 0 H ALA A 50 1.166 -3.582 -6.707 1.00 12.33 H new ATOM 0 HA ALA A 50 -1.510 -3.597 -5.812 1.00 3.15 H new ATOM 0 HB1 ALA A 50 -0.414 -3.915 -3.584 1.00 30.33 H new ATOM 0 HB2 ALA A 50 0.313 -4.957 -4.831 1.00 30.33 H new ATOM 0 HB3 ALA A 50 1.151 -3.476 -4.309 1.00 30.33 H new ATOM 797 N LEU A 51 0.171 -0.828 -5.028 1.00 12.44 N ATOM 798 CA LEU A 51 0.010 0.559 -4.529 1.00 3.01 C ATOM 799 C LEU A 51 -0.760 1.444 -5.537 1.00 15.15 C ATOM 800 O LEU A 51 -1.393 2.430 -5.133 1.00 61.20 O ATOM 801 CB LEU A 51 1.387 1.210 -4.168 1.00 74.52 C ATOM 802 CG LEU A 51 2.310 0.489 -3.107 1.00 22.32 C ATOM 803 CD1 LEU A 51 3.589 1.314 -2.845 1.00 12.14 C ATOM 804 CD2 LEU A 51 1.599 0.186 -1.759 1.00 24.23 C ATOM 0 H LEU A 51 1.123 -1.060 -5.312 1.00 12.44 H new ATOM 0 HA LEU A 51 -0.581 0.495 -3.616 1.00 3.01 H new ATOM 0 HB2 LEU A 51 1.958 1.309 -5.091 1.00 74.52 H new ATOM 0 HB3 LEU A 51 1.191 2.219 -3.805 1.00 74.52 H new ATOM 0 HG LEU A 51 2.568 -0.473 -3.549 1.00 22.32 H new ATOM 0 HD11 LEU A 51 4.210 0.800 -2.112 1.00 12.14 H new ATOM 0 HD12 LEU A 51 4.145 1.428 -3.775 1.00 12.14 H new ATOM 0 HD13 LEU A 51 3.316 2.298 -2.463 1.00 12.14 H new ATOM 0 HD21 LEU A 51 2.296 -0.309 -1.083 1.00 24.23 H new ATOM 0 HD22 LEU A 51 1.258 1.119 -1.310 1.00 24.23 H new ATOM 0 HD23 LEU A 51 0.743 -0.465 -1.937 1.00 24.23 H new ATOM 816 N ASN A 52 -0.701 1.090 -6.840 1.00 51.31 N ATOM 817 CA ASN A 52 -1.520 1.738 -7.888 1.00 74.43 C ATOM 818 C ASN A 52 -3.004 1.376 -7.701 1.00 54.24 C ATOM 819 O ASN A 52 -3.861 2.262 -7.739 1.00 52.22 O ATOM 820 CB ASN A 52 -1.045 1.371 -9.324 1.00 73.52 C ATOM 821 CG ASN A 52 0.205 2.130 -9.774 1.00 74.44 C ATOM 822 OD1 ASN A 52 1.048 2.518 -8.966 1.00 0.11 O ATOM 823 ND2 ASN A 52 0.323 2.347 -11.071 1.00 1.41 N ATOM 0 H ASN A 52 -0.090 0.353 -7.193 1.00 51.31 H new ATOM 0 HA ASN A 52 -1.395 2.815 -7.778 1.00 74.43 H new ATOM 0 HB2 ASN A 52 -0.844 0.301 -9.368 1.00 73.52 H new ATOM 0 HB3 ASN A 52 -1.854 1.572 -10.027 1.00 73.52 H new ATOM 0 HD21 ASN A 52 1.133 2.851 -11.432 1.00 1.41 H new ATOM 0 HD22 ASN A 52 -0.396 2.011 -11.712 1.00 1.41 H new ATOM 830 N ILE A 53 -3.282 0.070 -7.459 1.00 54.23 N ATOM 831 CA ILE A 53 -4.652 -0.445 -7.191 1.00 62.43 C ATOM 832 C ILE A 53 -5.237 0.271 -5.956 1.00 34.30 C ATOM 833 O ILE A 53 -6.409 0.674 -5.948 1.00 22.10 O ATOM 834 CB ILE A 53 -4.673 -2.017 -6.955 1.00 4.14 C ATOM 835 CG1 ILE A 53 -4.367 -2.795 -8.277 1.00 54.24 C ATOM 836 CG2 ILE A 53 -6.010 -2.506 -6.317 1.00 70.24 C ATOM 837 CD1 ILE A 53 -4.320 -4.312 -8.137 1.00 31.23 C ATOM 0 H ILE A 53 -2.565 -0.656 -7.444 1.00 54.23 H new ATOM 0 HA ILE A 53 -5.258 -0.240 -8.073 1.00 62.43 H new ATOM 0 HB ILE A 53 -3.880 -2.235 -6.240 1.00 4.14 H new ATOM 0 HG12 ILE A 53 -5.125 -2.537 -9.016 1.00 54.24 H new ATOM 0 HG13 ILE A 53 -3.410 -2.452 -8.669 1.00 54.24 H new ATOM 0 HG21 ILE A 53 -5.973 -3.586 -6.177 1.00 70.24 H new ATOM 0 HG22 ILE A 53 -6.152 -2.020 -5.352 1.00 70.24 H new ATOM 0 HG23 ILE A 53 -6.841 -2.254 -6.976 1.00 70.24 H new ATOM 0 HD11 ILE A 53 -4.102 -4.760 -9.106 1.00 31.23 H new ATOM 0 HD12 ILE A 53 -3.541 -4.588 -7.426 1.00 31.23 H new ATOM 0 HD13 ILE A 53 -5.283 -4.674 -7.778 1.00 31.23 H new ATOM 849 N ALA A 54 -4.368 0.454 -4.952 1.00 42.44 N ATOM 850 CA ALA A 54 -4.720 1.061 -3.669 1.00 13.24 C ATOM 851 C ALA A 54 -5.129 2.531 -3.860 1.00 51.24 C ATOM 852 O ALA A 54 -6.255 2.902 -3.523 1.00 25.33 O ATOM 853 CB ALA A 54 -3.552 0.929 -2.686 1.00 24.44 C ATOM 0 H ALA A 54 -3.388 0.179 -5.013 1.00 42.44 H new ATOM 0 HA ALA A 54 -5.577 0.533 -3.251 1.00 13.24 H new ATOM 0 HB1 ALA A 54 -3.825 1.384 -1.734 1.00 24.44 H new ATOM 0 HB2 ALA A 54 -3.324 -0.126 -2.532 1.00 24.44 H new ATOM 0 HB3 ALA A 54 -2.676 1.434 -3.092 1.00 24.44 H new ATOM 859 N GLU A 55 -4.228 3.331 -4.480 1.00 23.00 N ATOM 860 CA GLU A 55 -4.401 4.790 -4.607 1.00 54.21 C ATOM 861 C GLU A 55 -5.569 5.152 -5.534 1.00 41.32 C ATOM 862 O GLU A 55 -6.378 6.019 -5.183 1.00 35.53 O ATOM 863 CB GLU A 55 -3.094 5.484 -5.071 1.00 42.35 C ATOM 864 CG GLU A 55 -3.254 6.989 -5.405 1.00 23.14 C ATOM 865 CD GLU A 55 -1.949 7.718 -5.731 1.00 23.22 C ATOM 866 OE1 GLU A 55 -1.692 8.807 -5.162 1.00 41.35 O ATOM 867 OE2 GLU A 55 -1.182 7.226 -6.579 1.00 61.31 O ATOM 0 H GLU A 55 -3.368 2.981 -4.902 1.00 23.00 H new ATOM 0 HA GLU A 55 -4.643 5.163 -3.612 1.00 54.21 H new ATOM 0 HB2 GLU A 55 -2.342 5.375 -4.290 1.00 42.35 H new ATOM 0 HB3 GLU A 55 -2.715 4.967 -5.952 1.00 42.35 H new ATOM 0 HG2 GLU A 55 -3.931 7.088 -6.254 1.00 23.14 H new ATOM 0 HG3 GLU A 55 -3.729 7.486 -4.559 1.00 23.14 H new ATOM 874 N LYS A 56 -5.665 4.470 -6.700 1.00 41.23 N ATOM 875 CA LYS A 56 -6.743 4.731 -7.679 1.00 22.25 C ATOM 876 C LYS A 56 -8.127 4.497 -7.036 1.00 54.03 C ATOM 877 O LYS A 56 -9.100 5.187 -7.351 1.00 45.32 O ATOM 878 CB LYS A 56 -6.573 3.886 -8.979 1.00 13.10 C ATOM 879 CG LYS A 56 -6.944 2.384 -8.885 1.00 11.31 C ATOM 880 CD LYS A 56 -6.711 1.626 -10.216 1.00 53.11 C ATOM 881 CE LYS A 56 -5.235 1.595 -10.643 1.00 45.24 C ATOM 882 NZ LYS A 56 -5.034 0.969 -11.976 1.00 51.02 N ATOM 0 H LYS A 56 -5.012 3.739 -6.983 1.00 41.23 H new ATOM 0 HA LYS A 56 -6.672 5.778 -7.974 1.00 22.25 H new ATOM 0 HB2 LYS A 56 -7.182 4.339 -9.761 1.00 13.10 H new ATOM 0 HB3 LYS A 56 -5.534 3.961 -9.300 1.00 13.10 H new ATOM 0 HG2 LYS A 56 -6.353 1.917 -8.097 1.00 11.31 H new ATOM 0 HG3 LYS A 56 -7.991 2.290 -8.597 1.00 11.31 H new ATOM 0 HD2 LYS A 56 -7.075 0.604 -10.113 1.00 53.11 H new ATOM 0 HD3 LYS A 56 -7.301 2.096 -11.003 1.00 53.11 H new ATOM 0 HE2 LYS A 56 -4.846 2.613 -10.662 1.00 45.24 H new ATOM 0 HE3 LYS A 56 -4.658 1.047 -9.898 1.00 45.24 H new ATOM 0 HZ1 LYS A 56 -4.021 0.975 -12.213 1.00 51.02 H new ATOM 0 HZ2 LYS A 56 -5.379 -0.012 -11.954 1.00 51.02 H new ATOM 0 HZ3 LYS A 56 -5.561 1.505 -12.694 1.00 51.02 H new ATOM 896 N ALA A 57 -8.171 3.541 -6.098 1.00 61.34 N ATOM 897 CA ALA A 57 -9.374 3.205 -5.349 1.00 3.11 C ATOM 898 C ALA A 57 -9.613 4.198 -4.184 1.00 41.20 C ATOM 899 O ALA A 57 -10.763 4.428 -3.815 1.00 45.41 O ATOM 900 CB ALA A 57 -9.284 1.766 -4.851 1.00 64.03 C ATOM 0 H ALA A 57 -7.361 2.978 -5.841 1.00 61.34 H new ATOM 0 HA ALA A 57 -10.234 3.289 -6.013 1.00 3.11 H new ATOM 0 HB1 ALA A 57 -10.186 1.518 -4.291 1.00 64.03 H new ATOM 0 HB2 ALA A 57 -9.188 1.092 -5.702 1.00 64.03 H new ATOM 0 HB3 ALA A 57 -8.414 1.659 -4.204 1.00 64.03 H new ATOM 906 N LEU A 58 -8.523 4.782 -3.599 1.00 42.14 N ATOM 907 CA LEU A 58 -8.649 5.861 -2.568 1.00 11.20 C ATOM 908 C LEU A 58 -9.352 7.087 -3.202 1.00 25.41 C ATOM 909 O LEU A 58 -10.209 7.713 -2.576 1.00 20.13 O ATOM 910 CB LEU A 58 -7.261 6.335 -1.967 1.00 15.14 C ATOM 911 CG LEU A 58 -6.213 5.248 -1.381 1.00 33.44 C ATOM 912 CD1 LEU A 58 -4.918 5.882 -0.778 1.00 33.15 C ATOM 913 CD2 LEU A 58 -6.794 4.222 -0.345 1.00 23.21 C ATOM 0 H LEU A 58 -7.560 4.528 -3.820 1.00 42.14 H new ATOM 0 HA LEU A 58 -9.227 5.438 -1.747 1.00 11.20 H new ATOM 0 HB2 LEU A 58 -6.745 6.893 -2.748 1.00 15.14 H new ATOM 0 HB3 LEU A 58 -7.480 7.038 -1.164 1.00 15.14 H new ATOM 0 HG LEU A 58 -5.964 4.690 -2.284 1.00 33.44 H new ATOM 0 HD11 LEU A 58 -4.265 5.092 -0.406 1.00 33.15 H new ATOM 0 HD12 LEU A 58 -4.398 6.450 -1.549 1.00 33.15 H new ATOM 0 HD13 LEU A 58 -5.187 6.547 0.043 1.00 33.15 H new ATOM 0 HD21 LEU A 58 -6.004 3.544 -0.022 1.00 23.21 H new ATOM 0 HD22 LEU A 58 -7.187 4.759 0.518 1.00 23.21 H new ATOM 0 HD23 LEU A 58 -7.595 3.649 -0.811 1.00 23.21 H new ATOM 925 N ASP A 59 -8.979 7.390 -4.460 1.00 75.15 N ATOM 926 CA ASP A 59 -9.545 8.519 -5.236 1.00 42.21 C ATOM 927 C ASP A 59 -10.981 8.244 -5.686 1.00 72.34 C ATOM 928 O ASP A 59 -11.767 9.176 -5.861 1.00 22.40 O ATOM 929 CB ASP A 59 -8.683 8.825 -6.480 1.00 11.24 C ATOM 930 CG ASP A 59 -7.286 9.329 -6.123 1.00 31.43 C ATOM 931 OD1 ASP A 59 -7.176 10.422 -5.532 1.00 71.05 O ATOM 932 OD2 ASP A 59 -6.290 8.662 -6.445 1.00 42.11 O ATOM 0 H ASP A 59 -8.274 6.859 -4.972 1.00 75.15 H new ATOM 0 HA ASP A 59 -9.547 9.380 -4.568 1.00 42.21 H new ATOM 0 HB2 ASP A 59 -8.595 7.923 -7.086 1.00 11.24 H new ATOM 0 HB3 ASP A 59 -9.188 9.572 -7.092 1.00 11.24 H new ATOM 937 N ASN A 60 -11.293 6.958 -5.931 1.00 64.32 N ATOM 938 CA ASN A 60 -12.669 6.511 -6.247 1.00 75.13 C ATOM 939 C ASN A 60 -13.457 6.241 -4.954 1.00 1.03 C ATOM 940 O ASN A 60 -14.666 6.006 -5.010 1.00 41.43 O ATOM 941 CB ASN A 60 -12.657 5.267 -7.188 1.00 52.22 C ATOM 942 CG ASN A 60 -12.085 5.581 -8.566 1.00 45.21 C ATOM 943 OD1 ASN A 60 -12.181 6.710 -9.049 1.00 12.21 O ATOM 944 ND2 ASN A 60 -11.510 4.591 -9.218 1.00 15.34 N ATOM 0 H ASN A 60 -10.608 6.203 -5.917 1.00 64.32 H new ATOM 0 HA ASN A 60 -13.176 7.312 -6.785 1.00 75.13 H new ATOM 0 HB2 ASN A 60 -12.070 4.473 -6.727 1.00 52.22 H new ATOM 0 HB3 ASN A 60 -13.673 4.889 -7.298 1.00 52.22 H new ATOM 0 HD21 ASN A 60 -11.128 4.748 -10.151 1.00 15.34 H new ATOM 0 HD22 ASN A 60 -11.446 3.667 -8.790 1.00 15.34 H new ATOM 951 N SER A 61 -12.744 6.268 -3.799 1.00 42.21 N ATOM 952 CA SER A 61 -13.331 6.154 -2.456 1.00 4.35 C ATOM 953 C SER A 61 -14.062 4.818 -2.257 1.00 53.24 C ATOM 954 O SER A 61 -15.089 4.746 -1.568 1.00 55.12 O ATOM 955 CB SER A 61 -14.232 7.368 -2.181 1.00 34.32 C ATOM 956 OG SER A 61 -13.483 8.562 -2.327 1.00 3.35 O ATOM 0 H SER A 61 -11.729 6.372 -3.784 1.00 42.21 H new ATOM 0 HA SER A 61 -12.526 6.157 -1.721 1.00 4.35 H new ATOM 0 HB2 SER A 61 -15.076 7.370 -2.871 1.00 34.32 H new ATOM 0 HB3 SER A 61 -14.644 7.307 -1.174 1.00 34.32 H new ATOM 0 HG SER A 61 -14.061 9.334 -2.152 1.00 3.35 H new ATOM 962 N GLU A 62 -13.460 3.752 -2.813 1.00 11.41 N ATOM 963 CA GLU A 62 -13.944 2.356 -2.699 1.00 63.24 C ATOM 964 C GLU A 62 -13.561 1.707 -1.338 1.00 25.13 C ATOM 965 O GLU A 62 -13.220 0.519 -1.267 1.00 3.42 O ATOM 966 CB GLU A 62 -13.409 1.530 -3.902 1.00 2.02 C ATOM 967 CG GLU A 62 -13.960 1.964 -5.277 1.00 41.34 C ATOM 968 CD GLU A 62 -15.477 1.773 -5.394 1.00 53.05 C ATOM 969 OE1 GLU A 62 -16.226 2.754 -5.255 1.00 53.01 O ATOM 970 OE2 GLU A 62 -15.929 0.626 -5.597 1.00 45.40 O ATOM 0 H GLU A 62 -12.607 3.833 -3.366 1.00 11.41 H new ATOM 0 HA GLU A 62 -15.034 2.364 -2.727 1.00 63.24 H new ATOM 0 HB2 GLU A 62 -12.322 1.604 -3.921 1.00 2.02 H new ATOM 0 HB3 GLU A 62 -13.654 0.480 -3.742 1.00 2.02 H new ATOM 0 HG2 GLU A 62 -13.716 3.013 -5.447 1.00 41.34 H new ATOM 0 HG3 GLU A 62 -13.464 1.390 -6.060 1.00 41.34 H new ATOM 977 N TYR A 63 -13.634 2.536 -0.288 1.00 21.33 N ATOM 978 CA TYR A 63 -13.699 2.151 1.129 1.00 14.31 C ATOM 979 C TYR A 63 -12.333 1.771 1.729 1.00 61.35 C ATOM 980 O TYR A 63 -11.578 0.983 1.157 1.00 64.11 O ATOM 981 CB TYR A 63 -14.793 1.071 1.414 1.00 63.21 C ATOM 982 CG TYR A 63 -16.235 1.607 1.289 1.00 15.51 C ATOM 983 CD1 TYR A 63 -16.941 2.047 2.409 1.00 35.14 C ATOM 984 CD2 TYR A 63 -16.877 1.687 0.050 1.00 62.31 C ATOM 985 CE1 TYR A 63 -18.216 2.556 2.295 1.00 20.41 C ATOM 986 CE2 TYR A 63 -18.152 2.190 -0.065 1.00 31.34 C ATOM 987 CZ TYR A 63 -18.821 2.618 1.060 1.00 21.05 C ATOM 988 OH TYR A 63 -20.096 3.134 0.948 1.00 53.02 O ATOM 0 H TYR A 63 -13.650 3.548 -0.411 1.00 21.33 H new ATOM 0 HA TYR A 63 -14.009 3.055 1.653 1.00 14.31 H new ATOM 0 HB2 TYR A 63 -14.661 0.240 0.721 1.00 63.21 H new ATOM 0 HB3 TYR A 63 -14.647 0.674 2.419 1.00 63.21 H new ATOM 0 HD1 TYR A 63 -16.479 1.987 3.384 1.00 35.14 H new ATOM 0 HD2 TYR A 63 -16.361 1.347 -0.836 1.00 62.31 H new ATOM 0 HE1 TYR A 63 -18.740 2.906 3.172 1.00 20.41 H new ATOM 0 HE2 TYR A 63 -18.626 2.249 -1.033 1.00 31.34 H new ATOM 0 HH TYR A 63 -20.378 3.108 0.010 1.00 53.02 H new ATOM 998 N LEU A 64 -12.105 2.251 2.963 1.00 61.33 N ATOM 999 CA LEU A 64 -10.778 2.154 3.636 1.00 61.34 C ATOM 1000 C LEU A 64 -10.562 0.709 4.117 1.00 35.11 C ATOM 1001 O LEU A 64 -9.499 0.165 3.838 1.00 73.03 O ATOM 1002 CB LEU A 64 -10.524 3.191 4.828 1.00 64.32 C ATOM 1003 CG LEU A 64 -9.721 4.547 4.588 1.00 24.25 C ATOM 1004 CD1 LEU A 64 -8.236 4.311 4.174 1.00 5.44 C ATOM 1005 CD2 LEU A 64 -10.412 5.564 3.639 1.00 72.53 C ATOM 0 H LEU A 64 -12.819 2.714 3.525 1.00 61.33 H new ATOM 0 HA LEU A 64 -10.043 2.436 2.882 1.00 61.34 H new ATOM 0 HB2 LEU A 64 -11.502 3.466 5.224 1.00 64.32 H new ATOM 0 HB3 LEU A 64 -10.003 2.648 5.616 1.00 64.32 H new ATOM 0 HG LEU A 64 -9.726 5.017 5.571 1.00 24.25 H new ATOM 0 HD11 LEU A 64 -7.743 5.272 4.025 1.00 5.44 H new ATOM 0 HD12 LEU A 64 -7.723 3.757 4.960 1.00 5.44 H new ATOM 0 HD13 LEU A 64 -8.203 3.739 3.247 1.00 5.44 H new ATOM 0 HD21 LEU A 64 -9.788 6.452 3.540 1.00 72.53 H new ATOM 0 HD22 LEU A 64 -10.553 5.109 2.659 1.00 72.53 H new ATOM 0 HD23 LEU A 64 -11.381 5.846 4.051 1.00 72.53 H new ATOM 1017 N PRO A 65 -11.555 0.039 4.825 1.00 44.22 N ATOM 1018 CA PRO A 65 -11.412 -1.391 5.204 1.00 54.43 C ATOM 1019 C PRO A 65 -11.295 -2.302 3.961 1.00 0.23 C ATOM 1020 O PRO A 65 -10.608 -3.328 4.017 1.00 12.02 O ATOM 1021 CB PRO A 65 -12.694 -1.689 6.023 1.00 24.24 C ATOM 1022 CG PRO A 65 -13.679 -0.642 5.606 1.00 24.41 C ATOM 1023 CD PRO A 65 -12.863 0.589 5.329 1.00 30.51 C ATOM 0 HA PRO A 65 -10.503 -1.585 5.773 1.00 54.43 H new ATOM 0 HB2 PRO A 65 -13.071 -2.690 5.814 1.00 24.24 H new ATOM 0 HB3 PRO A 65 -12.497 -1.640 7.094 1.00 24.24 H new ATOM 0 HG2 PRO A 65 -14.232 -0.954 4.720 1.00 24.41 H new ATOM 0 HG3 PRO A 65 -14.412 -0.458 6.391 1.00 24.41 H new ATOM 0 HD2 PRO A 65 -13.341 1.229 4.588 1.00 30.51 H new ATOM 0 HD3 PRO A 65 -12.726 1.190 6.228 1.00 30.51 H new ATOM 1031 N LYS A 66 -11.925 -1.899 2.836 1.00 42.13 N ATOM 1032 CA LYS A 66 -11.888 -2.677 1.587 1.00 2.35 C ATOM 1033 C LYS A 66 -10.458 -2.686 1.008 1.00 23.54 C ATOM 1034 O LYS A 66 -9.969 -3.730 0.585 1.00 15.21 O ATOM 1035 CB LYS A 66 -12.904 -2.136 0.543 1.00 3.33 C ATOM 1036 CG LYS A 66 -12.933 -2.904 -0.807 1.00 71.14 C ATOM 1037 CD LYS A 66 -13.440 -4.373 -0.706 1.00 43.43 C ATOM 1038 CE LYS A 66 -14.972 -4.496 -0.479 1.00 53.21 C ATOM 1039 NZ LYS A 66 -15.397 -4.061 0.888 1.00 1.23 N ATOM 0 H LYS A 66 -12.466 -1.036 2.772 1.00 42.13 H new ATOM 0 HA LYS A 66 -12.180 -3.701 1.821 1.00 2.35 H new ATOM 0 HB2 LYS A 66 -13.902 -2.165 0.981 1.00 3.33 H new ATOM 0 HB3 LYS A 66 -12.674 -1.090 0.343 1.00 3.33 H new ATOM 0 HG2 LYS A 66 -13.570 -2.361 -1.505 1.00 71.14 H new ATOM 0 HG3 LYS A 66 -11.928 -2.908 -1.229 1.00 71.14 H new ATOM 0 HD2 LYS A 66 -13.175 -4.902 -1.621 1.00 43.43 H new ATOM 0 HD3 LYS A 66 -12.920 -4.871 0.112 1.00 43.43 H new ATOM 0 HE2 LYS A 66 -15.494 -3.895 -1.224 1.00 53.21 H new ATOM 0 HE3 LYS A 66 -15.275 -5.531 -0.635 1.00 53.21 H new ATOM 0 HZ1 LYS A 66 -16.094 -4.734 1.266 1.00 1.23 H new ATOM 0 HZ2 LYS A 66 -14.569 -4.031 1.516 1.00 1.23 H new ATOM 0 HZ3 LYS A 66 -15.825 -3.114 0.834 1.00 1.23 H new ATOM 1053 N ILE A 67 -9.798 -1.516 1.028 1.00 20.04 N ATOM 1054 CA ILE A 67 -8.449 -1.331 0.454 1.00 73.14 C ATOM 1055 C ILE A 67 -7.337 -1.764 1.436 1.00 11.41 C ATOM 1056 O ILE A 67 -6.231 -2.135 1.014 1.00 4.13 O ATOM 1057 CB ILE A 67 -8.284 0.152 -0.021 1.00 34.35 C ATOM 1058 CG1 ILE A 67 -9.450 0.489 -0.999 1.00 63.35 C ATOM 1059 CG2 ILE A 67 -6.911 0.398 -0.689 1.00 22.31 C ATOM 1060 CD1 ILE A 67 -9.542 1.928 -1.431 1.00 20.13 C ATOM 0 H ILE A 67 -10.184 -0.668 1.443 1.00 20.04 H new ATOM 0 HA ILE A 67 -8.343 -1.983 -0.413 1.00 73.14 H new ATOM 0 HB ILE A 67 -8.323 0.809 0.848 1.00 34.35 H new ATOM 0 HG12 ILE A 67 -9.345 -0.133 -1.888 1.00 63.35 H new ATOM 0 HG13 ILE A 67 -10.391 0.210 -0.524 1.00 63.35 H new ATOM 0 HG21 ILE A 67 -6.840 1.439 -1.003 1.00 22.31 H new ATOM 0 HG22 ILE A 67 -6.115 0.179 0.023 1.00 22.31 H new ATOM 0 HG23 ILE A 67 -6.808 -0.251 -1.559 1.00 22.31 H new ATOM 0 HD11 ILE A 67 -10.387 2.051 -2.109 1.00 20.13 H new ATOM 0 HD12 ILE A 67 -9.684 2.562 -0.556 1.00 20.13 H new ATOM 0 HD13 ILE A 67 -8.622 2.214 -1.941 1.00 20.13 H new ATOM 1072 N ILE A 68 -7.655 -1.746 2.742 1.00 44.25 N ATOM 1073 CA ILE A 68 -6.806 -2.350 3.784 1.00 15.51 C ATOM 1074 C ILE A 68 -6.793 -3.878 3.577 1.00 4.33 C ATOM 1075 O ILE A 68 -5.747 -4.519 3.704 1.00 44.22 O ATOM 1076 CB ILE A 68 -7.284 -1.940 5.233 1.00 12.22 C ATOM 1077 CG1 ILE A 68 -6.905 -0.449 5.523 1.00 22.31 C ATOM 1078 CG2 ILE A 68 -6.723 -2.879 6.333 1.00 25.24 C ATOM 1079 CD1 ILE A 68 -7.438 0.087 6.834 1.00 62.11 C ATOM 0 H ILE A 68 -8.505 -1.314 3.104 1.00 44.25 H new ATOM 0 HA ILE A 68 -5.787 -1.974 3.695 1.00 15.51 H new ATOM 0 HB ILE A 68 -8.369 -2.045 5.260 1.00 12.22 H new ATOM 0 HG12 ILE A 68 -5.819 -0.356 5.521 1.00 22.31 H new ATOM 0 HG13 ILE A 68 -7.280 0.173 4.710 1.00 22.31 H new ATOM 0 HG21 ILE A 68 -7.083 -2.552 7.309 1.00 25.24 H new ATOM 0 HG22 ILE A 68 -7.058 -3.899 6.146 1.00 25.24 H new ATOM 0 HG23 ILE A 68 -5.634 -2.847 6.318 1.00 25.24 H new ATOM 0 HD11 ILE A 68 -7.129 1.125 6.955 1.00 62.11 H new ATOM 0 HD12 ILE A 68 -8.526 0.030 6.835 1.00 62.11 H new ATOM 0 HD13 ILE A 68 -7.043 -0.507 7.658 1.00 62.11 H new ATOM 1091 N LEU A 69 -7.960 -4.422 3.175 1.00 35.35 N ATOM 1092 CA LEU A 69 -8.107 -5.827 2.795 1.00 25.01 C ATOM 1093 C LEU A 69 -7.368 -6.104 1.466 1.00 23.34 C ATOM 1094 O LEU A 69 -6.736 -7.143 1.338 1.00 31.20 O ATOM 1095 CB LEU A 69 -9.603 -6.207 2.669 1.00 24.22 C ATOM 1096 CG LEU A 69 -9.905 -7.727 2.290 1.00 75.23 C ATOM 1097 CD1 LEU A 69 -9.275 -8.735 3.296 1.00 5.51 C ATOM 1098 CD2 LEU A 69 -11.425 -8.036 2.087 1.00 42.32 C ATOM 0 H LEU A 69 -8.827 -3.889 3.107 1.00 35.35 H new ATOM 0 HA LEU A 69 -7.662 -6.442 3.577 1.00 25.01 H new ATOM 0 HB2 LEU A 69 -10.096 -5.984 3.615 1.00 24.22 H new ATOM 0 HB3 LEU A 69 -10.058 -5.567 1.913 1.00 24.22 H new ATOM 0 HG LEU A 69 -9.421 -7.865 1.323 1.00 75.23 H new ATOM 0 HD11 LEU A 69 -9.513 -9.753 2.988 1.00 5.51 H new ATOM 0 HD12 LEU A 69 -8.193 -8.604 3.312 1.00 5.51 H new ATOM 0 HD13 LEU A 69 -9.677 -8.554 4.293 1.00 5.51 H new ATOM 0 HD21 LEU A 69 -11.551 -9.088 1.832 1.00 42.32 H new ATOM 0 HD22 LEU A 69 -11.967 -7.818 3.007 1.00 42.32 H new ATOM 0 HD23 LEU A 69 -11.817 -7.417 1.280 1.00 42.32 H new ATOM 1110 N ASN A 70 -7.443 -5.154 0.494 1.00 4.51 N ATOM 1111 CA ASN A 70 -6.791 -5.308 -0.832 1.00 21.40 C ATOM 1112 C ASN A 70 -5.255 -5.355 -0.689 1.00 73.11 C ATOM 1113 O ASN A 70 -4.600 -6.174 -1.340 1.00 44.23 O ATOM 1114 CB ASN A 70 -7.205 -4.191 -1.849 1.00 65.11 C ATOM 1115 CG ASN A 70 -8.703 -4.160 -2.174 1.00 71.44 C ATOM 1116 OD1 ASN A 70 -9.395 -5.178 -2.136 1.00 32.03 O ATOM 1117 ND2 ASN A 70 -9.209 -2.987 -2.511 1.00 74.42 N ATOM 0 H ASN A 70 -7.949 -4.275 0.606 1.00 4.51 H new ATOM 0 HA ASN A 70 -7.143 -6.257 -1.237 1.00 21.40 H new ATOM 0 HB2 ASN A 70 -6.912 -3.222 -1.446 1.00 65.11 H new ATOM 0 HB3 ASN A 70 -6.647 -4.333 -2.774 1.00 65.11 H new ATOM 0 HD21 ASN A 70 -10.198 -2.907 -2.749 1.00 74.42 H new ATOM 0 HD22 ASN A 70 -8.611 -2.161 -2.534 1.00 74.42 H new ATOM 1124 N LEU A 71 -4.696 -4.510 0.209 1.00 75.14 N ATOM 1125 CA LEU A 71 -3.243 -4.435 0.447 1.00 60.31 C ATOM 1126 C LEU A 71 -2.799 -5.596 1.345 1.00 54.54 C ATOM 1127 O LEU A 71 -1.672 -6.063 1.232 1.00 14.41 O ATOM 1128 CB LEU A 71 -2.832 -3.053 1.075 1.00 24.33 C ATOM 1129 CG LEU A 71 -2.538 -1.860 0.088 1.00 21.41 C ATOM 1130 CD1 LEU A 71 -2.656 -0.494 0.809 1.00 12.32 C ATOM 1131 CD2 LEU A 71 -1.133 -1.981 -0.563 1.00 44.51 C ATOM 0 H LEU A 71 -5.240 -3.866 0.784 1.00 75.14 H new ATOM 0 HA LEU A 71 -2.736 -4.518 -0.514 1.00 60.31 H new ATOM 0 HB2 LEU A 71 -3.628 -2.741 1.751 1.00 24.33 H new ATOM 0 HB3 LEU A 71 -1.942 -3.212 1.684 1.00 24.33 H new ATOM 0 HG LEU A 71 -3.290 -1.915 -0.700 1.00 21.41 H new ATOM 0 HD11 LEU A 71 -2.448 0.309 0.103 1.00 12.32 H new ATOM 0 HD12 LEU A 71 -3.665 -0.377 1.204 1.00 12.32 H new ATOM 0 HD13 LEU A 71 -1.938 -0.452 1.628 1.00 12.32 H new ATOM 0 HD21 LEU A 71 -0.970 -1.139 -1.236 1.00 44.51 H new ATOM 0 HD22 LEU A 71 -0.370 -1.976 0.215 1.00 44.51 H new ATOM 0 HD23 LEU A 71 -1.072 -2.913 -1.126 1.00 44.51 H new ATOM 1143 N ARG A 72 -3.694 -6.056 2.236 1.00 40.11 N ATOM 1144 CA ARG A 72 -3.396 -7.204 3.115 1.00 5.40 C ATOM 1145 C ARG A 72 -3.602 -8.544 2.355 1.00 24.13 C ATOM 1146 O ARG A 72 -3.062 -9.572 2.750 1.00 15.15 O ATOM 1147 CB ARG A 72 -4.235 -7.140 4.440 1.00 54.23 C ATOM 1148 CG ARG A 72 -3.791 -8.155 5.512 1.00 72.01 C ATOM 1149 CD ARG A 72 -4.552 -8.013 6.841 1.00 61.54 C ATOM 1150 NE ARG A 72 -4.094 -9.016 7.813 1.00 5.14 N ATOM 1151 CZ ARG A 72 -4.089 -8.887 9.140 1.00 24.54 C ATOM 1152 NH1 ARG A 72 -4.534 -7.787 9.753 1.00 21.51 N ATOM 1153 NH2 ARG A 72 -3.579 -9.860 9.855 1.00 22.13 N ATOM 0 H ARG A 72 -4.623 -5.656 2.368 1.00 40.11 H new ATOM 0 HA ARG A 72 -2.347 -7.151 3.405 1.00 5.40 H new ATOM 0 HB2 ARG A 72 -4.164 -6.134 4.855 1.00 54.23 H new ATOM 0 HB3 ARG A 72 -5.285 -7.314 4.202 1.00 54.23 H new ATOM 0 HG2 ARG A 72 -3.933 -9.165 5.127 1.00 72.01 H new ATOM 0 HG3 ARG A 72 -2.724 -8.032 5.698 1.00 72.01 H new ATOM 0 HD2 ARG A 72 -4.402 -7.012 7.246 1.00 61.54 H new ATOM 0 HD3 ARG A 72 -5.622 -8.130 6.667 1.00 61.54 H new ATOM 0 HE ARG A 72 -3.746 -9.897 7.435 1.00 5.14 H new ATOM 0 HH11 ARG A 72 -4.894 -7.007 9.203 1.00 21.51 H new ATOM 0 HH12 ARG A 72 -4.514 -7.727 10.771 1.00 21.51 H new ATOM 0 HH21 ARG A 72 -3.200 -10.687 9.394 1.00 22.13 H new ATOM 0 HH22 ARG A 72 -3.561 -9.790 10.872 1.00 22.13 H new ATOM 1167 N LYS A 73 -4.370 -8.526 1.242 1.00 55.32 N ATOM 1168 CA LYS A 73 -4.560 -9.716 0.382 1.00 13.21 C ATOM 1169 C LYS A 73 -3.391 -9.778 -0.623 1.00 41.30 C ATOM 1170 O LYS A 73 -2.904 -10.864 -0.951 1.00 13.32 O ATOM 1171 CB LYS A 73 -5.975 -9.698 -0.312 1.00 52.32 C ATOM 1172 CG LYS A 73 -6.477 -11.066 -0.878 1.00 25.42 C ATOM 1173 CD LYS A 73 -5.816 -11.480 -2.214 1.00 12.24 C ATOM 1174 CE LYS A 73 -6.271 -12.862 -2.708 1.00 52.21 C ATOM 1175 NZ LYS A 73 -7.734 -12.910 -2.988 1.00 70.55 N ATOM 0 H LYS A 73 -4.869 -7.698 0.918 1.00 55.32 H new ATOM 0 HA LYS A 73 -4.546 -10.626 0.982 1.00 13.21 H new ATOM 0 HB2 LYS A 73 -6.707 -9.335 0.409 1.00 52.32 H new ATOM 0 HB3 LYS A 73 -5.948 -8.977 -1.129 1.00 52.32 H new ATOM 0 HG2 LYS A 73 -6.291 -11.843 -0.137 1.00 25.42 H new ATOM 0 HG3 LYS A 73 -7.556 -11.014 -1.020 1.00 25.42 H new ATOM 0 HD2 LYS A 73 -6.049 -10.734 -2.974 1.00 12.24 H new ATOM 0 HD3 LYS A 73 -4.733 -11.483 -2.091 1.00 12.24 H new ATOM 0 HE2 LYS A 73 -5.722 -13.121 -3.613 1.00 52.21 H new ATOM 0 HE3 LYS A 73 -6.022 -13.613 -1.958 1.00 52.21 H new ATOM 0 HZ1 LYS A 73 -7.982 -13.840 -3.382 1.00 70.55 H new ATOM 0 HZ2 LYS A 73 -8.262 -12.757 -2.105 1.00 70.55 H new ATOM 0 HZ3 LYS A 73 -7.981 -12.167 -3.672 1.00 70.55 H new ATOM 1189 N ALA A 74 -2.926 -8.599 -1.073 1.00 61.32 N ATOM 1190 CA ALA A 74 -1.829 -8.481 -2.063 1.00 41.11 C ATOM 1191 C ALA A 74 -0.443 -8.710 -1.418 1.00 52.12 C ATOM 1192 O ALA A 74 0.355 -9.508 -1.912 1.00 45.22 O ATOM 1193 CB ALA A 74 -1.879 -7.108 -2.765 1.00 42.52 C ATOM 0 H ALA A 74 -3.296 -7.700 -0.764 1.00 61.32 H new ATOM 0 HA ALA A 74 -1.976 -9.263 -2.808 1.00 41.11 H new ATOM 0 HB1 ALA A 74 -1.066 -7.039 -3.488 1.00 42.52 H new ATOM 0 HB2 ALA A 74 -2.833 -6.997 -3.280 1.00 42.52 H new ATOM 0 HB3 ALA A 74 -1.773 -6.316 -2.024 1.00 42.52 H new ATOM 1199 N LEU A 75 -0.181 -8.013 -0.299 1.00 64.13 N ATOM 1200 CA LEU A 75 1.184 -7.920 0.292 1.00 1.11 C ATOM 1201 C LEU A 75 1.501 -9.058 1.285 1.00 72.41 C ATOM 1202 O LEU A 75 2.683 -9.351 1.499 1.00 12.14 O ATOM 1203 CB LEU A 75 1.469 -6.507 0.930 1.00 63.33 C ATOM 1204 CG LEU A 75 1.928 -5.359 -0.049 1.00 33.12 C ATOM 1205 CD1 LEU A 75 0.935 -5.098 -1.188 1.00 11.53 C ATOM 1206 CD2 LEU A 75 2.234 -4.051 0.721 1.00 22.44 C ATOM 0 H LEU A 75 -0.893 -7.501 0.223 1.00 64.13 H new ATOM 0 HA LEU A 75 1.867 -8.045 -0.548 1.00 1.11 H new ATOM 0 HB2 LEU A 75 0.564 -6.176 1.439 1.00 63.33 H new ATOM 0 HB3 LEU A 75 2.238 -6.629 1.693 1.00 63.33 H new ATOM 0 HG LEU A 75 2.847 -5.715 -0.515 1.00 33.12 H new ATOM 0 HD11 LEU A 75 1.313 -4.297 -1.823 1.00 11.53 H new ATOM 0 HD12 LEU A 75 0.814 -6.005 -1.781 1.00 11.53 H new ATOM 0 HD13 LEU A 75 -0.029 -4.806 -0.771 1.00 11.53 H new ATOM 0 HD21 LEU A 75 2.548 -3.280 0.018 1.00 22.44 H new ATOM 0 HD22 LEU A 75 1.338 -3.720 1.247 1.00 22.44 H new ATOM 0 HD23 LEU A 75 3.032 -4.231 1.442 1.00 22.44 H new ATOM 1218 N THR A 76 0.474 -9.699 1.885 1.00 20.03 N ATOM 1219 CA THR A 76 0.708 -10.824 2.824 1.00 13.12 C ATOM 1220 C THR A 76 1.406 -12.051 2.143 1.00 45.34 C ATOM 1221 O THR A 76 2.394 -12.541 2.713 1.00 11.42 O ATOM 1222 CB THR A 76 -0.586 -11.250 3.605 1.00 63.53 C ATOM 1223 OG1 THR A 76 -0.985 -10.180 4.476 1.00 41.15 O ATOM 1224 CG2 THR A 76 -0.415 -12.550 4.432 1.00 51.33 C ATOM 0 H THR A 76 -0.508 -9.464 1.741 1.00 20.03 H new ATOM 0 HA THR A 76 1.407 -10.438 3.566 1.00 13.12 H new ATOM 0 HB THR A 76 -1.351 -11.457 2.856 1.00 63.53 H new ATOM 0 HG1 THR A 76 -1.770 -9.728 4.101 1.00 41.15 H new ATOM 0 HG21 THR A 76 -1.349 -12.781 4.944 1.00 51.33 H new ATOM 0 HG22 THR A 76 -0.152 -13.373 3.767 1.00 51.33 H new ATOM 0 HG23 THR A 76 0.377 -12.412 5.168 1.00 51.33 H new ATOM 1232 N PRO A 77 0.951 -12.582 0.929 1.00 62.40 N ATOM 1233 CA PRO A 77 1.658 -13.705 0.248 1.00 0.13 C ATOM 1234 C PRO A 77 3.098 -13.329 -0.161 1.00 34.24 C ATOM 1235 O PRO A 77 4.013 -14.143 -0.024 1.00 75.23 O ATOM 1236 CB PRO A 77 0.776 -14.027 -0.995 1.00 22.34 C ATOM 1237 CG PRO A 77 -0.557 -13.431 -0.682 1.00 75.11 C ATOM 1238 CD PRO A 77 -0.262 -12.195 0.137 1.00 23.14 C ATOM 0 HA PRO A 77 1.775 -14.565 0.908 1.00 0.13 H new ATOM 0 HB2 PRO A 77 1.199 -13.596 -1.902 1.00 22.34 H new ATOM 0 HB3 PRO A 77 0.700 -15.102 -1.158 1.00 22.34 H new ATOM 0 HG2 PRO A 77 -1.098 -13.178 -1.594 1.00 75.11 H new ATOM 0 HG3 PRO A 77 -1.180 -14.132 -0.126 1.00 75.11 H new ATOM 0 HD2 PRO A 77 -0.068 -11.330 -0.497 1.00 23.14 H new ATOM 0 HD3 PRO A 77 -1.098 -11.934 0.785 1.00 23.14 H new ATOM 1246 N LEU A 78 3.285 -12.073 -0.632 1.00 75.15 N ATOM 1247 CA LEU A 78 4.613 -11.576 -1.088 1.00 63.24 C ATOM 1248 C LEU A 78 5.583 -11.386 0.098 1.00 34.45 C ATOM 1249 O LEU A 78 6.815 -11.471 -0.079 1.00 4.35 O ATOM 1250 CB LEU A 78 4.518 -10.234 -1.890 1.00 31.22 C ATOM 1251 CG LEU A 78 3.481 -10.175 -3.084 1.00 60.22 C ATOM 1252 CD1 LEU A 78 3.440 -8.785 -3.763 1.00 75.11 C ATOM 1253 CD2 LEU A 78 3.736 -11.275 -4.161 1.00 10.52 C ATOM 0 H LEU A 78 2.537 -11.384 -0.708 1.00 75.15 H new ATOM 0 HA LEU A 78 4.999 -12.345 -1.757 1.00 63.24 H new ATOM 0 HB2 LEU A 78 4.270 -9.438 -1.188 1.00 31.22 H new ATOM 0 HB3 LEU A 78 5.507 -10.009 -2.290 1.00 31.22 H new ATOM 0 HG LEU A 78 2.511 -10.366 -2.625 1.00 60.22 H new ATOM 0 HD11 LEU A 78 2.713 -8.798 -4.575 1.00 75.11 H new ATOM 0 HD12 LEU A 78 3.152 -8.031 -3.031 1.00 75.11 H new ATOM 0 HD13 LEU A 78 4.426 -8.546 -4.162 1.00 75.11 H new ATOM 0 HD21 LEU A 78 2.995 -11.186 -4.955 1.00 10.52 H new ATOM 0 HD22 LEU A 78 4.734 -11.149 -4.581 1.00 10.52 H new ATOM 0 HD23 LEU A 78 3.658 -12.260 -3.701 1.00 10.52 H new ATOM 1265 N ALA A 79 5.012 -11.106 1.290 1.00 12.10 N ATOM 1266 CA ALA A 79 5.776 -10.979 2.540 1.00 10.03 C ATOM 1267 C ALA A 79 6.328 -12.353 2.946 1.00 3.33 C ATOM 1268 O ALA A 79 7.535 -12.506 3.125 1.00 71.23 O ATOM 1269 CB ALA A 79 4.906 -10.377 3.659 1.00 62.50 C ATOM 0 H ALA A 79 4.009 -10.963 1.407 1.00 12.10 H new ATOM 0 HA ALA A 79 6.612 -10.298 2.377 1.00 10.03 H new ATOM 0 HB1 ALA A 79 5.495 -10.294 4.573 1.00 62.50 H new ATOM 0 HB2 ALA A 79 4.560 -9.388 3.359 1.00 62.50 H new ATOM 0 HB3 ALA A 79 4.046 -11.023 3.839 1.00 62.50 H new ATOM 1275 N ILE A 80 5.423 -13.357 3.001 1.00 14.54 N ATOM 1276 CA ILE A 80 5.756 -14.753 3.383 1.00 1.54 C ATOM 1277 C ILE A 80 6.797 -15.356 2.407 1.00 44.51 C ATOM 1278 O ILE A 80 7.762 -16.009 2.824 1.00 4.22 O ATOM 1279 CB ILE A 80 4.456 -15.661 3.429 1.00 43.44 C ATOM 1280 CG1 ILE A 80 3.414 -15.112 4.469 1.00 41.34 C ATOM 1281 CG2 ILE A 80 4.808 -17.152 3.716 1.00 70.04 C ATOM 1282 CD1 ILE A 80 2.092 -15.859 4.507 1.00 54.23 C ATOM 0 H ILE A 80 4.436 -13.223 2.781 1.00 14.54 H new ATOM 0 HA ILE A 80 6.189 -14.728 4.383 1.00 1.54 H new ATOM 0 HB ILE A 80 3.995 -15.619 2.442 1.00 43.44 H new ATOM 0 HG12 ILE A 80 3.862 -15.146 5.462 1.00 41.34 H new ATOM 0 HG13 ILE A 80 3.216 -14.064 4.244 1.00 41.34 H new ATOM 0 HG21 ILE A 80 3.893 -17.744 3.740 1.00 70.04 H new ATOM 0 HG22 ILE A 80 5.463 -17.529 2.931 1.00 70.04 H new ATOM 0 HG23 ILE A 80 5.314 -17.228 4.678 1.00 70.04 H new ATOM 0 HD11 ILE A 80 1.440 -15.407 5.254 1.00 54.23 H new ATOM 0 HD12 ILE A 80 1.615 -15.804 3.528 1.00 54.23 H new ATOM 0 HD13 ILE A 80 2.271 -16.903 4.766 1.00 54.23 H new ATOM 1294 N ASN A 81 6.599 -15.085 1.108 1.00 43.43 N ATOM 1295 CA ASN A 81 7.516 -15.514 0.028 1.00 42.32 C ATOM 1296 C ASN A 81 8.818 -14.685 0.036 1.00 0.33 C ATOM 1297 O ASN A 81 9.814 -15.103 -0.570 1.00 41.52 O ATOM 1298 CB ASN A 81 6.806 -15.417 -1.353 1.00 44.53 C ATOM 1299 CG ASN A 81 5.688 -16.449 -1.545 1.00 34.13 C ATOM 1300 OD1 ASN A 81 5.096 -16.937 -0.582 1.00 72.20 O ATOM 1301 ND2 ASN A 81 5.374 -16.765 -2.792 1.00 1.14 N ATOM 0 H ASN A 81 5.794 -14.558 0.770 1.00 43.43 H new ATOM 0 HA ASN A 81 7.788 -16.554 0.207 1.00 42.32 H new ATOM 0 HB2 ASN A 81 6.389 -14.417 -1.468 1.00 44.53 H new ATOM 0 HB3 ASN A 81 7.547 -15.546 -2.142 1.00 44.53 H new ATOM 0 HD21 ASN A 81 4.623 -17.430 -2.976 1.00 1.14 H new ATOM 0 HD22 ASN A 81 5.883 -16.343 -3.569 1.00 1.14 H new ATOM 1308 N ARG A 82 8.784 -13.508 0.710 1.00 4.44 N ATOM 1309 CA ARG A 82 9.976 -12.660 0.956 1.00 4.40 C ATOM 1310 C ARG A 82 10.581 -12.126 -0.366 1.00 52.31 C ATOM 1311 O ARG A 82 11.750 -12.370 -0.673 1.00 64.13 O ATOM 1312 CB ARG A 82 11.055 -13.418 1.826 1.00 41.43 C ATOM 1313 CG ARG A 82 10.603 -13.844 3.252 1.00 11.14 C ATOM 1314 CD ARG A 82 11.666 -14.680 3.999 1.00 45.44 C ATOM 1315 NE ARG A 82 11.228 -15.046 5.363 1.00 5.23 N ATOM 1316 CZ ARG A 82 11.979 -14.921 6.473 1.00 65.44 C ATOM 1317 NH1 ARG A 82 13.223 -14.437 6.412 1.00 34.31 N ATOM 1318 NH2 ARG A 82 11.473 -15.276 7.650 1.00 54.20 N ATOM 0 H ARG A 82 7.925 -13.120 1.099 1.00 4.44 H new ATOM 0 HA ARG A 82 9.645 -11.794 1.530 1.00 4.40 H new ATOM 0 HB2 ARG A 82 11.369 -14.310 1.284 1.00 41.43 H new ATOM 0 HB3 ARG A 82 11.932 -12.778 1.920 1.00 41.43 H new ATOM 0 HG2 ARG A 82 10.374 -12.952 3.836 1.00 11.14 H new ATOM 0 HG3 ARG A 82 9.682 -14.421 3.177 1.00 11.14 H new ATOM 0 HD2 ARG A 82 11.878 -15.586 3.432 1.00 45.44 H new ATOM 0 HD3 ARG A 82 12.596 -14.115 4.057 1.00 45.44 H new ATOM 0 HE ARG A 82 10.286 -15.421 5.471 1.00 5.23 H new ATOM 0 HH11 ARG A 82 13.617 -14.156 5.514 1.00 34.31 H new ATOM 0 HH12 ARG A 82 13.778 -14.349 7.263 1.00 34.31 H new ATOM 0 HH21 ARG A 82 10.522 -15.640 7.707 1.00 54.20 H new ATOM 0 HH22 ARG A 82 12.036 -15.184 8.496 1.00 54.20 H new ATOM 1332 N THR A 83 9.758 -11.402 -1.150 1.00 21.22 N ATOM 1333 CA THR A 83 10.214 -10.727 -2.400 1.00 3.24 C ATOM 1334 C THR A 83 9.665 -9.281 -2.467 1.00 0.13 C ATOM 1335 O THR A 83 9.735 -8.616 -3.500 1.00 34.11 O ATOM 1336 CB THR A 83 9.817 -11.551 -3.674 1.00 72.13 C ATOM 1337 OG1 THR A 83 10.432 -10.987 -4.852 1.00 73.54 O ATOM 1338 CG2 THR A 83 8.294 -11.625 -3.875 1.00 10.30 C ATOM 0 H THR A 83 8.768 -11.264 -0.946 1.00 21.22 H new ATOM 0 HA THR A 83 11.303 -10.675 -2.379 1.00 3.24 H new ATOM 0 HB THR A 83 10.181 -12.566 -3.517 1.00 72.13 H new ATOM 0 HG1 THR A 83 10.377 -10.009 -4.814 1.00 73.54 H new ATOM 0 HG21 THR A 83 8.073 -12.206 -4.770 1.00 10.30 H new ATOM 0 HG22 THR A 83 7.836 -12.103 -3.009 1.00 10.30 H new ATOM 0 HG23 THR A 83 7.893 -10.618 -3.988 1.00 10.30 H new ATOM 1346 N LEU A 84 9.135 -8.803 -1.337 1.00 12.42 N ATOM 1347 CA LEU A 84 8.685 -7.407 -1.171 1.00 62.11 C ATOM 1348 C LEU A 84 9.924 -6.556 -0.798 1.00 61.33 C ATOM 1349 O LEU A 84 10.716 -6.992 0.045 1.00 73.12 O ATOM 1350 CB LEU A 84 7.581 -7.400 -0.066 1.00 3.31 C ATOM 1351 CG LEU A 84 6.645 -6.139 0.042 1.00 55.10 C ATOM 1352 CD1 LEU A 84 5.267 -6.542 0.602 1.00 11.14 C ATOM 1353 CD2 LEU A 84 7.251 -5.015 0.915 1.00 2.12 C ATOM 0 H LEU A 84 9.003 -9.374 -0.502 1.00 12.42 H new ATOM 0 HA LEU A 84 8.253 -6.982 -2.077 1.00 62.11 H new ATOM 0 HB2 LEU A 84 6.947 -8.273 -0.223 1.00 3.31 H new ATOM 0 HB3 LEU A 84 8.073 -7.533 0.897 1.00 3.31 H new ATOM 0 HG LEU A 84 6.537 -5.744 -0.968 1.00 55.10 H new ATOM 0 HD11 LEU A 84 4.630 -5.660 0.671 1.00 11.14 H new ATOM 0 HD12 LEU A 84 4.804 -7.273 -0.061 1.00 11.14 H new ATOM 0 HD13 LEU A 84 5.391 -6.979 1.593 1.00 11.14 H new ATOM 0 HD21 LEU A 84 6.561 -4.172 0.953 1.00 2.12 H new ATOM 0 HD22 LEU A 84 7.421 -5.390 1.924 1.00 2.12 H new ATOM 0 HD23 LEU A 84 8.198 -4.690 0.484 1.00 2.12 H new ATOM 1365 N ASN A 85 10.083 -5.360 -1.425 1.00 74.24 N ATOM 1366 CA ASN A 85 11.322 -4.510 -1.243 1.00 14.31 C ATOM 1367 C ASN A 85 11.571 -4.188 0.254 1.00 4.44 C ATOM 1368 O ASN A 85 12.711 -3.956 0.669 1.00 0.01 O ATOM 1369 CB ASN A 85 11.281 -3.171 -2.057 1.00 22.45 C ATOM 1370 CG ASN A 85 12.594 -2.375 -1.988 1.00 35.31 C ATOM 1371 OD1 ASN A 85 13.677 -2.947 -1.939 1.00 52.12 O ATOM 1372 ND2 ASN A 85 12.519 -1.061 -1.990 1.00 1.04 N ATOM 0 H ASN A 85 9.389 -4.956 -2.054 1.00 74.24 H new ATOM 0 HA ASN A 85 12.144 -5.110 -1.634 1.00 14.31 H new ATOM 0 HB2 ASN A 85 11.055 -3.395 -3.099 1.00 22.45 H new ATOM 0 HB3 ASN A 85 10.468 -2.550 -1.681 1.00 22.45 H new ATOM 0 HD21 ASN A 85 13.371 -0.501 -1.950 1.00 1.04 H new ATOM 0 HD22 ASN A 85 11.609 -0.602 -2.031 1.00 1.04 H new ATOM 1379 N HIS A 86 10.457 -4.118 1.023 1.00 54.25 N ATOM 1380 CA HIS A 86 10.447 -4.056 2.505 1.00 42.44 C ATOM 1381 C HIS A 86 10.760 -2.640 3.033 1.00 10.03 C ATOM 1382 O HIS A 86 10.573 -2.356 4.214 1.00 44.20 O ATOM 1383 CB HIS A 86 11.384 -5.132 3.124 1.00 25.32 C ATOM 1384 CG HIS A 86 11.320 -5.250 4.624 1.00 12.22 C ATOM 1385 ND1 HIS A 86 12.106 -4.508 5.469 1.00 10.22 N ATOM 1386 CD2 HIS A 86 10.539 -6.017 5.416 1.00 10.11 C ATOM 1387 CE1 HIS A 86 11.822 -4.819 6.712 1.00 1.34 C ATOM 1388 NE2 HIS A 86 10.875 -5.729 6.702 1.00 20.31 N ATOM 0 H HIS A 86 9.520 -4.103 0.621 1.00 54.25 H new ATOM 0 HA HIS A 86 9.432 -4.286 2.829 1.00 42.44 H new ATOM 0 HB2 HIS A 86 11.137 -6.100 2.688 1.00 25.32 H new ATOM 0 HB3 HIS A 86 12.411 -4.906 2.837 1.00 25.32 H new ATOM 0 HD2 HIS A 86 9.791 -6.724 5.090 1.00 10.11 H new ATOM 0 HE1 HIS A 86 12.287 -4.399 7.592 1.00 1.34 H new ATOM 0 HE2 HIS A 86 10.457 -6.154 7.530 1.00 20.31 H new ATOM 1397 N ASP A 87 11.204 -1.743 2.133 1.00 0.40 N ATOM 1398 CA ASP A 87 11.558 -0.342 2.469 1.00 21.35 C ATOM 1399 C ASP A 87 10.316 0.486 2.937 1.00 3.54 C ATOM 1400 O ASP A 87 10.459 1.588 3.484 1.00 73.45 O ATOM 1401 CB ASP A 87 12.347 0.335 1.284 1.00 23.12 C ATOM 1402 CG ASP A 87 12.741 1.793 1.576 1.00 42.11 C ATOM 1403 OD1 ASP A 87 13.723 2.020 2.310 1.00 71.23 O ATOM 1404 OD2 ASP A 87 12.074 2.718 1.076 1.00 30.55 O ATOM 0 H ASP A 87 11.330 -1.966 1.146 1.00 0.40 H new ATOM 0 HA ASP A 87 12.230 -0.360 3.327 1.00 21.35 H new ATOM 0 HB2 ASP A 87 13.247 -0.244 1.077 1.00 23.12 H new ATOM 0 HB3 ASP A 87 11.734 0.304 0.383 1.00 23.12 H new ATOM 1409 N LEU A 88 9.094 -0.069 2.765 1.00 21.11 N ATOM 1410 CA LEU A 88 7.854 0.516 3.296 1.00 4.35 C ATOM 1411 C LEU A 88 7.108 -0.550 4.121 1.00 61.43 C ATOM 1412 O LEU A 88 5.873 -0.645 4.076 1.00 64.24 O ATOM 1413 CB LEU A 88 6.947 1.119 2.182 1.00 72.12 C ATOM 1414 CG LEU A 88 6.611 0.202 0.946 1.00 64.01 C ATOM 1415 CD1 LEU A 88 5.193 0.505 0.416 1.00 34.33 C ATOM 1416 CD2 LEU A 88 7.663 0.367 -0.185 1.00 44.11 C ATOM 0 H LEU A 88 8.946 -0.938 2.252 1.00 21.11 H new ATOM 0 HA LEU A 88 8.120 1.354 3.941 1.00 4.35 H new ATOM 0 HB2 LEU A 88 6.006 1.423 2.641 1.00 72.12 H new ATOM 0 HB3 LEU A 88 7.427 2.024 1.810 1.00 72.12 H new ATOM 0 HG LEU A 88 6.644 -0.834 1.282 1.00 64.01 H new ATOM 0 HD11 LEU A 88 4.979 -0.138 -0.438 1.00 34.33 H new ATOM 0 HD12 LEU A 88 4.463 0.318 1.203 1.00 34.33 H new ATOM 0 HD13 LEU A 88 5.135 1.549 0.108 1.00 34.33 H new ATOM 0 HD21 LEU A 88 7.401 -0.280 -1.023 1.00 44.11 H new ATOM 0 HD22 LEU A 88 7.679 1.405 -0.519 1.00 44.11 H new ATOM 0 HD23 LEU A 88 8.648 0.092 0.192 1.00 44.11 H new ATOM 1428 N SER A 89 7.872 -1.351 4.890 1.00 43.32 N ATOM 1429 CA SER A 89 7.310 -2.386 5.780 1.00 64.33 C ATOM 1430 C SER A 89 6.416 -1.746 6.867 1.00 1.42 C ATOM 1431 O SER A 89 5.499 -2.389 7.396 1.00 74.11 O ATOM 1432 CB SER A 89 8.438 -3.210 6.439 1.00 52.02 C ATOM 1433 OG SER A 89 7.932 -4.363 7.104 1.00 13.14 O ATOM 0 H SER A 89 8.890 -1.299 4.912 1.00 43.32 H new ATOM 0 HA SER A 89 6.698 -3.054 5.175 1.00 64.33 H new ATOM 0 HB2 SER A 89 9.157 -3.515 5.679 1.00 52.02 H new ATOM 0 HB3 SER A 89 8.975 -2.585 7.153 1.00 52.02 H new ATOM 0 HG SER A 89 8.635 -5.044 7.158 1.00 13.14 H new ATOM 1439 N GLU A 90 6.717 -0.470 7.190 1.00 5.13 N ATOM 1440 CA GLU A 90 5.945 0.317 8.159 1.00 41.15 C ATOM 1441 C GLU A 90 4.540 0.665 7.609 1.00 51.32 C ATOM 1442 O GLU A 90 3.637 0.921 8.390 1.00 15.41 O ATOM 1443 CB GLU A 90 6.730 1.598 8.574 1.00 70.11 C ATOM 1444 CG GLU A 90 6.110 2.375 9.765 1.00 25.20 C ATOM 1445 CD GLU A 90 5.994 1.543 11.062 1.00 52.34 C ATOM 1446 OE1 GLU A 90 4.957 0.894 11.286 1.00 31.22 O ATOM 1447 OE2 GLU A 90 6.946 1.516 11.862 1.00 23.40 O ATOM 0 H GLU A 90 7.503 0.038 6.783 1.00 5.13 H new ATOM 0 HA GLU A 90 5.799 -0.291 9.052 1.00 41.15 H new ATOM 0 HB2 GLU A 90 7.750 1.316 8.833 1.00 70.11 H new ATOM 0 HB3 GLU A 90 6.792 2.265 7.714 1.00 70.11 H new ATOM 0 HG2 GLU A 90 6.716 3.259 9.965 1.00 25.20 H new ATOM 0 HG3 GLU A 90 5.118 2.726 9.480 1.00 25.20 H new ATOM 1454 N LEU A 91 4.360 0.648 6.269 1.00 24.13 N ATOM 1455 CA LEU A 91 3.032 0.824 5.621 1.00 61.10 C ATOM 1456 C LEU A 91 2.192 -0.455 5.866 1.00 65.42 C ATOM 1457 O LEU A 91 0.991 -0.386 6.193 1.00 34.43 O ATOM 1458 CB LEU A 91 3.215 1.120 4.089 1.00 75.24 C ATOM 1459 CG LEU A 91 2.011 1.774 3.295 1.00 42.14 C ATOM 1460 CD1 LEU A 91 0.826 0.802 3.030 1.00 43.04 C ATOM 1461 CD2 LEU A 91 1.523 3.068 3.996 1.00 74.11 C ATOM 0 H LEU A 91 5.123 0.513 5.606 1.00 24.13 H new ATOM 0 HA LEU A 91 2.505 1.676 6.051 1.00 61.10 H new ATOM 0 HB2 LEU A 91 4.079 1.775 3.979 1.00 75.24 H new ATOM 0 HB3 LEU A 91 3.464 0.180 3.597 1.00 75.24 H new ATOM 0 HG LEU A 91 2.408 2.029 2.312 1.00 42.14 H new ATOM 0 HD11 LEU A 91 0.042 1.325 2.482 1.00 43.04 H new ATOM 0 HD12 LEU A 91 1.176 -0.046 2.442 1.00 43.04 H new ATOM 0 HD13 LEU A 91 0.428 0.445 3.980 1.00 43.04 H new ATOM 0 HD21 LEU A 91 0.696 3.498 3.431 1.00 74.11 H new ATOM 0 HD22 LEU A 91 1.188 2.831 5.006 1.00 74.11 H new ATOM 0 HD23 LEU A 91 2.341 3.786 4.044 1.00 74.11 H new ATOM 1473 N TYR A 92 2.862 -1.621 5.748 1.00 50.24 N ATOM 1474 CA TYR A 92 2.251 -2.947 5.982 1.00 44.05 C ATOM 1475 C TYR A 92 1.868 -3.107 7.476 1.00 31.13 C ATOM 1476 O TYR A 92 0.854 -3.727 7.819 1.00 41.44 O ATOM 1477 CB TYR A 92 3.233 -4.056 5.544 1.00 33.15 C ATOM 1478 CG TYR A 92 2.707 -5.492 5.669 1.00 53.44 C ATOM 1479 CD1 TYR A 92 3.387 -6.453 6.436 1.00 63.41 C ATOM 1480 CD2 TYR A 92 1.543 -5.896 5.008 1.00 22.33 C ATOM 1481 CE1 TYR A 92 2.921 -7.746 6.534 1.00 54.41 C ATOM 1482 CE2 TYR A 92 1.074 -7.189 5.113 1.00 4.52 C ATOM 1483 CZ TYR A 92 1.771 -8.108 5.870 1.00 44.13 C ATOM 1484 OH TYR A 92 1.311 -9.398 5.962 1.00 4.31 O ATOM 0 H TYR A 92 3.847 -1.669 5.486 1.00 50.24 H new ATOM 0 HA TYR A 92 1.340 -3.033 5.389 1.00 44.05 H new ATOM 0 HB2 TYR A 92 3.513 -3.879 4.506 1.00 33.15 H new ATOM 0 HB3 TYR A 92 4.142 -3.968 6.139 1.00 33.15 H new ATOM 0 HD1 TYR A 92 4.290 -6.173 6.958 1.00 63.41 H new ATOM 0 HD2 TYR A 92 1.001 -5.183 4.404 1.00 22.33 H new ATOM 0 HE1 TYR A 92 3.455 -8.472 7.129 1.00 54.41 H new ATOM 0 HE2 TYR A 92 0.166 -7.480 4.605 1.00 4.52 H new ATOM 0 HH TYR A 92 0.516 -9.503 5.399 1.00 4.31 H new ATOM 1494 N LYS A 93 2.693 -2.501 8.339 1.00 1.43 N ATOM 1495 CA LYS A 93 2.475 -2.473 9.800 1.00 71.31 C ATOM 1496 C LYS A 93 1.477 -1.369 10.179 1.00 72.02 C ATOM 1497 O LYS A 93 0.815 -1.468 11.216 1.00 22.14 O ATOM 1498 CB LYS A 93 3.827 -2.303 10.575 1.00 31.12 C ATOM 1499 CG LYS A 93 4.508 -3.632 10.995 1.00 42.21 C ATOM 1500 CD LYS A 93 3.731 -4.402 12.094 1.00 62.34 C ATOM 1501 CE LYS A 93 3.930 -3.826 13.516 1.00 11.24 C ATOM 1502 NZ LYS A 93 3.337 -2.473 13.688 1.00 23.35 N ATOM 0 H LYS A 93 3.538 -2.011 8.046 1.00 1.43 H new ATOM 0 HA LYS A 93 2.048 -3.432 10.094 1.00 71.31 H new ATOM 0 HB2 LYS A 93 4.519 -1.738 9.950 1.00 31.12 H new ATOM 0 HB3 LYS A 93 3.645 -1.706 11.469 1.00 31.12 H new ATOM 0 HG2 LYS A 93 4.612 -4.271 10.118 1.00 42.21 H new ATOM 0 HG3 LYS A 93 5.515 -3.418 11.354 1.00 42.21 H new ATOM 0 HD2 LYS A 93 2.668 -4.389 11.852 1.00 62.34 H new ATOM 0 HD3 LYS A 93 4.047 -5.445 12.087 1.00 62.34 H new ATOM 0 HE2 LYS A 93 3.484 -4.506 14.242 1.00 11.24 H new ATOM 0 HE3 LYS A 93 4.997 -3.779 13.736 1.00 11.24 H new ATOM 0 HZ1 LYS A 93 3.039 -2.347 14.677 1.00 23.35 H new ATOM 0 HZ2 LYS A 93 4.044 -1.750 13.445 1.00 23.35 H new ATOM 0 HZ3 LYS A 93 2.512 -2.374 13.063 1.00 23.35 H new ATOM 1516 N PHE A 94 1.380 -0.339 9.333 1.00 22.44 N ATOM 1517 CA PHE A 94 0.455 0.790 9.529 1.00 71.30 C ATOM 1518 C PHE A 94 -0.998 0.323 9.383 1.00 33.51 C ATOM 1519 O PHE A 94 -1.847 0.670 10.207 1.00 73.00 O ATOM 1520 CB PHE A 94 0.769 1.922 8.518 1.00 30.23 C ATOM 1521 CG PHE A 94 -0.074 3.182 8.663 1.00 11.41 C ATOM 1522 CD1 PHE A 94 0.195 4.118 9.666 1.00 40.32 C ATOM 1523 CD2 PHE A 94 -1.127 3.438 7.797 1.00 64.13 C ATOM 1524 CE1 PHE A 94 -0.566 5.258 9.792 1.00 50.11 C ATOM 1525 CE2 PHE A 94 -1.885 4.573 7.926 1.00 43.23 C ATOM 1526 CZ PHE A 94 -1.610 5.484 8.923 1.00 60.55 C ATOM 0 H PHE A 94 1.943 -0.261 8.486 1.00 22.44 H new ATOM 0 HA PHE A 94 0.589 1.180 10.538 1.00 71.30 H new ATOM 0 HB2 PHE A 94 1.819 2.195 8.619 1.00 30.23 H new ATOM 0 HB3 PHE A 94 0.637 1.531 7.509 1.00 30.23 H new ATOM 0 HD1 PHE A 94 1.011 3.944 10.352 1.00 40.32 H new ATOM 0 HD2 PHE A 94 -1.353 2.733 7.010 1.00 64.13 H new ATOM 0 HE1 PHE A 94 -0.345 5.973 10.570 1.00 50.11 H new ATOM 0 HE2 PHE A 94 -2.702 4.754 7.243 1.00 43.23 H new ATOM 0 HZ PHE A 94 -2.213 6.374 9.023 1.00 60.55 H new ATOM 1536 N ILE A 95 -1.284 -0.506 8.348 1.00 64.52 N ATOM 1537 CA ILE A 95 -2.656 -1.018 8.121 1.00 42.32 C ATOM 1538 C ILE A 95 -3.056 -2.067 9.194 1.00 62.41 C ATOM 1539 O ILE A 95 -4.218 -2.483 9.247 1.00 51.25 O ATOM 1540 CB ILE A 95 -2.897 -1.560 6.644 1.00 31.22 C ATOM 1541 CG1 ILE A 95 -2.298 -2.995 6.401 1.00 23.45 C ATOM 1542 CG2 ILE A 95 -2.400 -0.524 5.600 1.00 25.21 C ATOM 1543 CD1 ILE A 95 -2.291 -3.460 4.950 1.00 51.31 C ATOM 0 H ILE A 95 -0.595 -0.829 7.669 1.00 64.52 H new ATOM 0 HA ILE A 95 -3.318 -0.159 8.228 1.00 42.32 H new ATOM 0 HB ILE A 95 -3.973 -1.681 6.516 1.00 31.22 H new ATOM 0 HG12 ILE A 95 -1.275 -3.012 6.776 1.00 23.45 H new ATOM 0 HG13 ILE A 95 -2.866 -3.713 6.993 1.00 23.45 H new ATOM 0 HG21 ILE A 95 -2.572 -0.909 4.595 1.00 25.21 H new ATOM 0 HG22 ILE A 95 -2.945 0.411 5.728 1.00 25.21 H new ATOM 0 HG23 ILE A 95 -1.334 -0.346 5.743 1.00 25.21 H new ATOM 0 HD11 ILE A 95 -1.859 -4.459 4.890 1.00 51.31 H new ATOM 0 HD12 ILE A 95 -3.312 -3.483 4.570 1.00 51.31 H new ATOM 0 HD13 ILE A 95 -1.696 -2.771 4.350 1.00 51.31 H new ATOM 1555 N THR A 96 -2.094 -2.463 10.071 1.00 50.22 N ATOM 1556 CA THR A 96 -2.339 -3.383 11.199 1.00 74.22 C ATOM 1557 C THR A 96 -2.119 -2.667 12.557 1.00 2.52 C ATOM 1558 O THR A 96 -2.284 -3.294 13.606 1.00 2.32 O ATOM 1559 CB THR A 96 -1.406 -4.644 11.145 1.00 2.54 C ATOM 1560 OG1 THR A 96 -0.043 -4.240 10.960 1.00 21.12 O ATOM 1561 CG2 THR A 96 -1.786 -5.648 10.045 1.00 41.40 C ATOM 0 H THR A 96 -1.126 -2.148 10.009 1.00 50.22 H new ATOM 0 HA THR A 96 -3.376 -3.707 11.110 1.00 74.22 H new ATOM 0 HB THR A 96 -1.535 -5.153 12.100 1.00 2.54 H new ATOM 0 HG1 THR A 96 0.043 -3.283 11.151 1.00 21.12 H new ATOM 0 HG21 THR A 96 -1.097 -6.492 10.069 1.00 41.40 H new ATOM 0 HG22 THR A 96 -2.802 -6.004 10.213 1.00 41.40 H new ATOM 0 HG23 THR A 96 -1.728 -5.161 9.072 1.00 41.40 H new ATOM 1569 N SER A 97 -1.751 -1.366 12.533 1.00 31.02 N ATOM 1570 CA SER A 97 -1.370 -0.609 13.763 1.00 33.32 C ATOM 1571 C SER A 97 -2.564 -0.472 14.722 1.00 32.15 C ATOM 1572 O SER A 97 -3.708 -0.632 14.297 1.00 62.32 O ATOM 1573 CB SER A 97 -0.828 0.793 13.388 1.00 52.00 C ATOM 1574 OG SER A 97 -1.861 1.652 12.907 1.00 23.31 O ATOM 0 H SER A 97 -1.708 -0.812 11.678 1.00 31.02 H new ATOM 0 HA SER A 97 -0.586 -1.170 14.271 1.00 33.32 H new ATOM 0 HB2 SER A 97 -0.357 1.245 14.261 1.00 52.00 H new ATOM 0 HB3 SER A 97 -0.056 0.692 12.625 1.00 52.00 H new ATOM 0 HG SER A 97 -2.020 1.472 11.957 1.00 23.31 H new ATOM 1580 N SER A 98 -2.278 -0.153 16.003 1.00 15.31 N ATOM 1581 CA SER A 98 -3.311 0.036 17.049 1.00 35.00 C ATOM 1582 C SER A 98 -4.271 1.197 16.718 1.00 55.34 C ATOM 1583 O SER A 98 -5.398 1.226 17.219 1.00 30.01 O ATOM 1584 CB SER A 98 -2.654 0.250 18.431 1.00 71.55 C ATOM 1585 OG SER A 98 -1.885 -0.875 18.826 1.00 25.05 O ATOM 0 H SER A 98 -1.326 -0.019 16.343 1.00 15.31 H new ATOM 0 HA SER A 98 -3.908 -0.876 17.080 1.00 35.00 H new ATOM 0 HB2 SER A 98 -2.016 1.133 18.398 1.00 71.55 H new ATOM 0 HB3 SER A 98 -3.427 0.442 19.175 1.00 71.55 H new ATOM 0 HG SER A 98 -1.483 -0.705 19.703 1.00 25.05 H new ATOM 1591 N LYS A 99 -3.800 2.140 15.875 1.00 50.15 N ATOM 1592 CA LYS A 99 -4.597 3.269 15.375 1.00 72.23 C ATOM 1593 C LYS A 99 -5.830 2.754 14.600 1.00 21.41 C ATOM 1594 O LYS A 99 -6.935 3.291 14.743 1.00 65.24 O ATOM 1595 CB LYS A 99 -3.719 4.182 14.474 1.00 40.15 C ATOM 1596 CG LYS A 99 -4.446 5.417 13.889 1.00 22.22 C ATOM 1597 CD LYS A 99 -4.985 6.376 14.974 1.00 3.22 C ATOM 1598 CE LYS A 99 -5.654 7.626 14.384 1.00 0.14 C ATOM 1599 NZ LYS A 99 -6.132 8.546 15.440 1.00 23.21 N ATOM 0 H LYS A 99 -2.843 2.134 15.521 1.00 50.15 H new ATOM 0 HA LYS A 99 -4.950 3.857 16.222 1.00 72.23 H new ATOM 0 HB2 LYS A 99 -2.863 4.525 15.055 1.00 40.15 H new ATOM 0 HB3 LYS A 99 -3.327 3.585 13.650 1.00 40.15 H new ATOM 0 HG2 LYS A 99 -3.759 5.961 13.241 1.00 22.22 H new ATOM 0 HG3 LYS A 99 -5.275 5.081 13.266 1.00 22.22 H new ATOM 0 HD2 LYS A 99 -5.704 5.845 15.597 1.00 3.22 H new ATOM 0 HD3 LYS A 99 -4.164 6.681 15.623 1.00 3.22 H new ATOM 0 HE2 LYS A 99 -4.945 8.148 13.741 1.00 0.14 H new ATOM 0 HE3 LYS A 99 -6.493 7.327 13.756 1.00 0.14 H new ATOM 0 HZ1 LYS A 99 -6.277 9.493 15.036 1.00 23.21 H new ATOM 0 HZ2 LYS A 99 -7.031 8.193 15.827 1.00 23.21 H new ATOM 0 HZ3 LYS A 99 -5.425 8.599 16.201 1.00 23.21 H new ATOM 1613 N ALA A 100 -5.620 1.707 13.787 1.00 41.32 N ATOM 1614 CA ALA A 100 -6.702 1.014 13.072 1.00 31.43 C ATOM 1615 C ALA A 100 -7.391 0.000 14.006 1.00 11.23 C ATOM 1616 O ALA A 100 -8.620 0.001 14.155 1.00 53.21 O ATOM 1617 CB ALA A 100 -6.132 0.312 11.840 1.00 44.04 C ATOM 0 H ALA A 100 -4.695 1.317 13.607 1.00 41.32 H new ATOM 0 HA ALA A 100 -7.447 1.741 12.750 1.00 31.43 H new ATOM 0 HB1 ALA A 100 -6.934 -0.202 11.310 1.00 44.04 H new ATOM 0 HB2 ALA A 100 -5.675 1.049 11.180 1.00 44.04 H new ATOM 0 HB3 ALA A 100 -5.380 -0.413 12.150 1.00 44.04 H new ATOM 1623 N SER A 101 -6.538 -0.841 14.626 1.00 11.44 N ATOM 1624 CA SER A 101 -6.898 -1.903 15.567 1.00 63.02 C ATOM 1625 C SER A 101 -7.653 -3.049 14.853 1.00 64.42 C ATOM 1626 O SER A 101 -7.041 -4.041 14.434 1.00 62.12 O ATOM 1627 CB SER A 101 -7.672 -1.337 16.792 1.00 2.54 C ATOM 1628 OG SER A 101 -7.957 -2.346 17.753 1.00 71.53 O ATOM 0 H SER A 101 -5.531 -0.789 14.471 1.00 11.44 H new ATOM 0 HA SER A 101 -5.979 -2.336 15.961 1.00 63.02 H new ATOM 0 HB2 SER A 101 -7.084 -0.547 17.259 1.00 2.54 H new ATOM 0 HB3 SER A 101 -8.604 -0.884 16.454 1.00 2.54 H new ATOM 0 HG SER A 101 -8.442 -1.951 18.508 1.00 71.53 H new ATOM 1634 N ASN A 102 -8.957 -2.869 14.667 1.00 31.13 N ATOM 1635 CA ASN A 102 -9.855 -3.903 14.135 1.00 2.22 C ATOM 1636 C ASN A 102 -11.235 -3.290 13.884 1.00 32.45 C ATOM 1637 O ASN A 102 -11.966 -3.749 13.000 1.00 21.50 O ATOM 1638 CB ASN A 102 -9.964 -5.118 15.101 1.00 52.13 C ATOM 1639 CG ASN A 102 -10.793 -6.278 14.534 1.00 51.33 C ATOM 1640 OD1 ASN A 102 -10.266 -7.142 13.837 1.00 3.04 O ATOM 1641 ND2 ASN A 102 -12.093 -6.305 14.815 1.00 3.44 N ATOM 0 H ASN A 102 -9.431 -1.992 14.882 1.00 31.13 H new ATOM 0 HA ASN A 102 -9.442 -4.274 13.197 1.00 2.22 H new ATOM 0 HB2 ASN A 102 -8.962 -5.478 15.334 1.00 52.13 H new ATOM 0 HB3 ASN A 102 -10.410 -4.787 16.039 1.00 52.13 H new ATOM 0 HD21 ASN A 102 -12.678 -7.056 14.449 1.00 3.44 H new ATOM 0 HD22 ASN A 102 -12.504 -5.575 15.396 1.00 3.44 H new ATOM 1648 N LYS A 103 -11.577 -2.265 14.700 1.00 64.13 N ATOM 1649 CA LYS A 103 -12.836 -1.496 14.586 1.00 12.43 C ATOM 1650 C LYS A 103 -12.957 -0.874 13.182 1.00 74.12 C ATOM 1651 O LYS A 103 -12.386 0.193 12.928 1.00 14.30 O ATOM 1652 CB LYS A 103 -12.871 -0.376 15.664 1.00 61.12 C ATOM 1653 CG LYS A 103 -12.688 -0.867 17.113 1.00 70.24 C ATOM 1654 CD LYS A 103 -12.535 0.287 18.141 1.00 2.05 C ATOM 1655 CE LYS A 103 -12.240 -0.223 19.562 1.00 1.42 C ATOM 1656 NZ LYS A 103 -12.086 0.893 20.535 1.00 70.20 N ATOM 0 H LYS A 103 -10.980 -1.947 15.463 1.00 64.13 H new ATOM 0 HA LYS A 103 -13.676 -2.173 14.744 1.00 12.43 H new ATOM 0 HB2 LYS A 103 -12.089 0.349 15.440 1.00 61.12 H new ATOM 0 HB3 LYS A 103 -13.823 0.149 15.591 1.00 61.12 H new ATOM 0 HG2 LYS A 103 -13.545 -1.481 17.392 1.00 70.24 H new ATOM 0 HG3 LYS A 103 -11.807 -1.507 17.163 1.00 70.24 H new ATOM 0 HD2 LYS A 103 -11.730 0.949 17.822 1.00 2.05 H new ATOM 0 HD3 LYS A 103 -13.449 0.881 18.154 1.00 2.05 H new ATOM 0 HE2 LYS A 103 -13.048 -0.878 19.887 1.00 1.42 H new ATOM 0 HE3 LYS A 103 -11.329 -0.822 19.550 1.00 1.42 H new ATOM 0 HZ1 LYS A 103 -11.888 0.505 21.480 1.00 70.20 H new ATOM 0 HZ2 LYS A 103 -11.298 1.505 20.240 1.00 70.20 H new ATOM 0 HZ3 LYS A 103 -12.964 1.450 20.566 1.00 70.20 H new ATOM 1670 N ASN A 104 -13.672 -1.592 12.285 1.00 13.32 N ATOM 1671 CA ASN A 104 -13.819 -1.271 10.841 1.00 25.01 C ATOM 1672 C ASN A 104 -12.482 -1.491 10.087 1.00 54.51 C ATOM 1673 O ASN A 104 -12.365 -2.407 9.264 1.00 22.31 O ATOM 1674 CB ASN A 104 -14.380 0.161 10.582 1.00 35.01 C ATOM 1675 CG ASN A 104 -15.703 0.430 11.309 1.00 52.31 C ATOM 1676 OD1 ASN A 104 -15.718 0.990 12.402 1.00 62.15 O ATOM 1677 ND2 ASN A 104 -16.817 -0.004 10.739 1.00 54.23 N ATOM 0 H ASN A 104 -14.179 -2.436 12.551 1.00 13.32 H new ATOM 0 HA ASN A 104 -14.562 -1.964 10.447 1.00 25.01 H new ATOM 0 HB2 ASN A 104 -13.642 0.897 10.900 1.00 35.01 H new ATOM 0 HB3 ASN A 104 -14.527 0.299 9.511 1.00 35.01 H new ATOM 0 HD21 ASN A 104 -17.713 0.124 11.209 1.00 54.23 H new ATOM 0 HD22 ASN A 104 -16.778 -0.466 9.831 1.00 54.23 H new ATOM 1684 N LEU A 105 -11.485 -0.649 10.399 1.00 45.32 N ATOM 1685 CA LEU A 105 -10.141 -0.688 9.792 1.00 22.03 C ATOM 1686 C LEU A 105 -9.228 -1.566 10.671 1.00 31.01 C ATOM 1687 O LEU A 105 -9.404 -1.610 11.883 1.00 22.12 O ATOM 1688 CB LEU A 105 -9.512 0.764 9.686 1.00 62.41 C ATOM 1689 CG LEU A 105 -10.434 2.051 9.533 1.00 71.13 C ATOM 1690 CD1 LEU A 105 -11.441 1.995 8.360 1.00 74.02 C ATOM 1691 CD2 LEU A 105 -11.131 2.437 10.869 1.00 44.42 C ATOM 0 H LEU A 105 -11.590 0.092 11.092 1.00 45.32 H new ATOM 0 HA LEU A 105 -10.227 -1.098 8.786 1.00 22.03 H new ATOM 0 HB2 LEU A 105 -8.903 0.913 10.577 1.00 62.41 H new ATOM 0 HB3 LEU A 105 -8.833 0.755 8.833 1.00 62.41 H new ATOM 0 HG LEU A 105 -9.740 2.849 9.270 1.00 71.13 H new ATOM 0 HD11 LEU A 105 -12.024 2.916 8.337 1.00 74.02 H new ATOM 0 HD12 LEU A 105 -10.899 1.885 7.421 1.00 74.02 H new ATOM 0 HD13 LEU A 105 -12.110 1.145 8.495 1.00 74.02 H new ATOM 0 HD21 LEU A 105 -11.749 3.321 10.715 1.00 44.42 H new ATOM 0 HD22 LEU A 105 -11.757 1.610 11.205 1.00 44.42 H new ATOM 0 HD23 LEU A 105 -10.375 2.650 11.625 1.00 44.42 H new ATOM 1703 N GLY A 106 -8.240 -2.224 10.044 1.00 11.23 N ATOM 1704 CA GLY A 106 -7.245 -3.034 10.764 1.00 71.35 C ATOM 1705 C GLY A 106 -7.576 -4.516 10.740 1.00 40.22 C ATOM 1706 O GLY A 106 -8.247 -4.984 9.815 1.00 0.15 O ATOM 0 H GLY A 106 -8.109 -2.210 9.033 1.00 11.23 H new ATOM 0 HA2 GLY A 106 -6.262 -2.877 10.319 1.00 71.35 H new ATOM 0 HA3 GLY A 106 -7.184 -2.695 11.798 1.00 71.35 H new ATOM 1710 N GLY A 107 -7.099 -5.246 11.758 1.00 42.21 N ATOM 1711 CA GLY A 107 -7.314 -6.686 11.853 1.00 60.14 C ATOM 1712 C GLY A 107 -6.592 -7.287 13.051 1.00 21.43 C ATOM 1713 O GLY A 107 -5.373 -7.102 13.189 1.00 31.21 O ATOM 0 H GLY A 107 -6.559 -4.854 12.529 1.00 42.21 H new ATOM 0 HA2 GLY A 107 -8.382 -6.890 11.932 1.00 60.14 H new ATOM 0 HA3 GLY A 107 -6.965 -7.167 10.939 1.00 60.14 H new ATOM 1717 N GLY A 108 -7.343 -8.027 13.897 1.00 0.11 N ATOM 1718 CA GLY A 108 -6.810 -8.628 15.128 1.00 41.34 C ATOM 1719 C GLY A 108 -5.779 -9.735 14.888 1.00 3.02 C ATOM 1720 O GLY A 108 -5.021 -10.081 15.798 1.00 45.10 O ATOM 0 H GLY A 108 -8.332 -8.221 13.741 1.00 0.11 H new ATOM 0 HA2 GLY A 108 -6.353 -7.845 15.733 1.00 41.34 H new ATOM 0 HA3 GLY A 108 -7.638 -9.037 15.708 1.00 41.34 H new ATOM 1724 N LEU A 109 -5.754 -10.280 13.656 1.00 13.44 N ATOM 1725 CA LEU A 109 -4.742 -11.265 13.224 1.00 43.20 C ATOM 1726 C LEU A 109 -3.376 -10.567 13.077 1.00 32.03 C ATOM 1727 O LEU A 109 -3.325 -9.410 12.654 1.00 44.33 O ATOM 1728 CB LEU A 109 -5.131 -11.920 11.866 1.00 22.20 C ATOM 1729 CG LEU A 109 -6.429 -12.798 11.835 1.00 1.04 C ATOM 1730 CD1 LEU A 109 -6.436 -13.854 12.972 1.00 41.52 C ATOM 1731 CD2 LEU A 109 -7.723 -11.944 11.836 1.00 13.53 C ATOM 0 H LEU A 109 -6.435 -10.050 12.932 1.00 13.44 H new ATOM 0 HA LEU A 109 -4.687 -12.048 13.980 1.00 43.20 H new ATOM 0 HB2 LEU A 109 -5.244 -11.125 11.129 1.00 22.20 H new ATOM 0 HB3 LEU A 109 -4.296 -12.541 11.540 1.00 22.20 H new ATOM 0 HG LEU A 109 -6.415 -13.339 10.889 1.00 1.04 H new ATOM 0 HD11 LEU A 109 -7.352 -14.442 12.916 1.00 41.52 H new ATOM 0 HD12 LEU A 109 -5.574 -14.513 12.862 1.00 41.52 H new ATOM 0 HD13 LEU A 109 -6.387 -13.350 13.937 1.00 41.52 H new ATOM 0 HD21 LEU A 109 -8.593 -12.601 11.814 1.00 13.53 H new ATOM 0 HD22 LEU A 109 -7.754 -11.331 12.737 1.00 13.53 H new ATOM 0 HD23 LEU A 109 -7.734 -11.299 10.958 1.00 13.53 H new ATOM 1743 N ILE A 110 -2.278 -11.293 13.375 1.00 75.24 N ATOM 1744 CA ILE A 110 -0.893 -10.750 13.322 1.00 44.21 C ATOM 1745 C ILE A 110 -0.391 -10.580 11.865 1.00 72.32 C ATOM 1746 O ILE A 110 -1.155 -10.744 10.910 1.00 3.34 O ATOM 1747 CB ILE A 110 0.096 -11.655 14.208 1.00 1.23 C ATOM 1748 CG1 ILE A 110 0.089 -13.185 13.792 1.00 43.13 C ATOM 1749 CG2 ILE A 110 -0.247 -11.544 15.723 1.00 73.11 C ATOM 1750 CD1 ILE A 110 0.721 -13.579 12.456 1.00 40.12 C ATOM 0 H ILE A 110 -2.320 -12.272 13.659 1.00 75.24 H new ATOM 0 HA ILE A 110 -0.904 -9.749 13.753 1.00 44.21 H new ATOM 0 HB ILE A 110 1.095 -11.262 14.019 1.00 1.23 H new ATOM 0 HG12 ILE A 110 0.597 -13.745 14.577 1.00 43.13 H new ATOM 0 HG13 ILE A 110 -0.948 -13.521 13.781 1.00 43.13 H new ATOM 0 HG21 ILE A 110 0.438 -12.167 16.298 1.00 73.11 H new ATOM 0 HG22 ILE A 110 -0.150 -10.507 16.043 1.00 73.11 H new ATOM 0 HG23 ILE A 110 -1.270 -11.881 15.890 1.00 73.11 H new ATOM 0 HD11 ILE A 110 0.636 -14.657 12.317 1.00 40.12 H new ATOM 0 HD12 ILE A 110 0.204 -13.067 11.644 1.00 40.12 H new ATOM 0 HD13 ILE A 110 1.773 -13.294 12.453 1.00 40.12 H new ATOM 1762 N MET A 111 0.901 -10.250 11.710 1.00 55.14 N ATOM 1763 CA MET A 111 1.558 -10.129 10.390 1.00 10.11 C ATOM 1764 C MET A 111 2.767 -11.076 10.314 1.00 1.12 C ATOM 1765 O MET A 111 3.300 -11.519 11.343 1.00 13.42 O ATOM 1766 CB MET A 111 1.978 -8.655 10.119 1.00 10.31 C ATOM 1767 CG MET A 111 3.032 -8.087 11.086 1.00 30.15 C ATOM 1768 SD MET A 111 2.488 -8.081 12.812 1.00 62.10 S ATOM 1769 CE MET A 111 1.076 -6.978 12.765 1.00 32.22 C ATOM 0 H MET A 111 1.524 -10.058 12.495 1.00 55.14 H new ATOM 0 HA MET A 111 0.848 -10.418 9.615 1.00 10.11 H new ATOM 0 HB2 MET A 111 2.365 -8.585 9.103 1.00 10.31 H new ATOM 0 HB3 MET A 111 1.089 -8.026 10.165 1.00 10.31 H new ATOM 0 HG2 MET A 111 3.946 -8.675 11.002 1.00 30.15 H new ATOM 0 HG3 MET A 111 3.279 -7.069 10.786 1.00 30.15 H new ATOM 0 HE1 MET A 111 0.957 -6.498 13.736 1.00 32.22 H new ATOM 0 HE2 MET A 111 1.234 -6.217 12.001 1.00 32.22 H new ATOM 0 HE3 MET A 111 0.177 -7.547 12.529 1.00 32.22 H new ATOM 1779 N SER A 112 3.182 -11.381 9.076 1.00 71.40 N ATOM 1780 CA SER A 112 4.270 -12.325 8.789 1.00 70.42 C ATOM 1781 C SER A 112 5.626 -11.612 8.896 1.00 43.12 C ATOM 1782 O SER A 112 6.036 -10.894 7.978 1.00 34.34 O ATOM 1783 CB SER A 112 4.063 -12.955 7.388 1.00 13.13 C ATOM 1784 OG SER A 112 3.821 -11.961 6.403 1.00 31.33 O ATOM 0 H SER A 112 2.767 -10.975 8.238 1.00 71.40 H new ATOM 0 HA SER A 112 4.260 -13.130 9.523 1.00 70.42 H new ATOM 0 HB2 SER A 112 4.945 -13.534 7.114 1.00 13.13 H new ATOM 0 HB3 SER A 112 3.223 -13.649 7.420 1.00 13.13 H new ATOM 0 HG SER A 112 4.426 -11.203 6.547 1.00 31.33 H new ATOM 1790 N TRP A 113 6.272 -11.770 10.056 1.00 40.11 N ATOM 1791 CA TRP A 113 7.587 -11.179 10.335 1.00 12.23 C ATOM 1792 C TRP A 113 8.713 -12.012 9.706 1.00 20.22 C ATOM 1793 O TRP A 113 8.858 -13.203 10.005 1.00 43.14 O ATOM 1794 CB TRP A 113 7.806 -11.059 11.863 1.00 43.34 C ATOM 1795 CG TRP A 113 6.920 -10.035 12.517 1.00 24.35 C ATOM 1796 CD1 TRP A 113 5.697 -10.237 13.100 1.00 64.20 C ATOM 1797 CD2 TRP A 113 7.188 -8.630 12.625 1.00 55.32 C ATOM 1798 NE1 TRP A 113 5.214 -9.052 13.586 1.00 35.43 N ATOM 1799 CE2 TRP A 113 6.106 -8.054 13.296 1.00 45.34 C ATOM 1800 CE3 TRP A 113 8.251 -7.811 12.227 1.00 5.53 C ATOM 1801 CZ2 TRP A 113 6.052 -6.701 13.580 1.00 24.11 C ATOM 1802 CZ3 TRP A 113 8.190 -6.464 12.492 1.00 60.54 C ATOM 1803 CH2 TRP A 113 7.096 -5.921 13.168 1.00 41.55 C ATOM 0 H TRP A 113 5.896 -12.314 10.832 1.00 40.11 H new ATOM 0 HA TRP A 113 7.611 -10.184 9.891 1.00 12.23 H new ATOM 0 HB2 TRP A 113 7.628 -12.030 12.325 1.00 43.34 H new ATOM 0 HB3 TRP A 113 8.848 -10.801 12.054 1.00 43.34 H new ATOM 0 HD1 TRP A 113 5.190 -11.188 13.166 1.00 64.20 H new ATOM 0 HE1 TRP A 113 4.332 -8.932 14.084 1.00 35.43 H new ATOM 0 HE3 TRP A 113 9.106 -8.231 11.719 1.00 5.53 H new ATOM 0 HZ2 TRP A 113 5.213 -6.275 14.110 1.00 24.11 H new ATOM 0 HZ3 TRP A 113 8.996 -5.819 12.174 1.00 60.54 H new ATOM 0 HH2 TRP A 113 7.074 -4.860 13.370 1.00 41.55 H new ATOM 1814 N GLY A 114 9.482 -11.375 8.802 1.00 22.12 N ATOM 1815 CA GLY A 114 10.742 -11.930 8.312 1.00 14.53 C ATOM 1816 C GLY A 114 11.788 -11.951 9.421 1.00 31.15 C ATOM 1817 O GLY A 114 12.326 -13.016 9.758 1.00 42.34 O ATOM 0 H GLY A 114 9.243 -10.469 8.399 1.00 22.12 H new ATOM 0 HA2 GLY A 114 10.579 -12.941 7.939 1.00 14.53 H new ATOM 0 HA3 GLY A 114 11.105 -11.336 7.474 1.00 14.53 H new ATOM 1821 N ARG A 115 12.023 -10.765 10.021 1.00 31.32 N ATOM 1822 CA ARG A 115 12.920 -10.595 11.172 1.00 71.32 C ATOM 1823 C ARG A 115 12.587 -9.283 11.925 1.00 31.53 C ATOM 1824 O ARG A 115 12.662 -8.185 11.359 1.00 4.15 O ATOM 1825 CB ARG A 115 14.423 -10.609 10.730 1.00 70.53 C ATOM 1826 CG ARG A 115 14.787 -9.621 9.584 1.00 34.41 C ATOM 1827 CD ARG A 115 16.303 -9.472 9.397 1.00 33.12 C ATOM 1828 NE ARG A 115 16.925 -8.981 10.641 1.00 62.44 N ATOM 1829 CZ ARG A 115 17.951 -9.560 11.291 1.00 40.23 C ATOM 1830 NH1 ARG A 115 18.530 -10.660 10.827 1.00 41.45 N ATOM 1831 NH2 ARG A 115 18.364 -9.041 12.428 1.00 63.22 N ATOM 0 H ARG A 115 11.589 -9.894 9.714 1.00 31.32 H new ATOM 0 HA ARG A 115 12.764 -11.437 11.847 1.00 71.32 H new ATOM 0 HB2 ARG A 115 15.042 -10.378 11.597 1.00 70.53 H new ATOM 0 HB3 ARG A 115 14.682 -11.619 10.413 1.00 70.53 H new ATOM 0 HG2 ARG A 115 14.342 -9.970 8.652 1.00 34.41 H new ATOM 0 HG3 ARG A 115 14.353 -8.645 9.799 1.00 34.41 H new ATOM 0 HD2 ARG A 115 16.738 -10.432 9.119 1.00 33.12 H new ATOM 0 HD3 ARG A 115 16.510 -8.780 8.581 1.00 33.12 H new ATOM 0 HE ARG A 115 16.543 -8.126 11.045 1.00 62.44 H new ATOM 0 HH11 ARG A 115 18.199 -11.084 9.961 1.00 41.45 H new ATOM 0 HH12 ARG A 115 19.306 -11.082 11.337 1.00 41.45 H new ATOM 0 HH21 ARG A 115 17.907 -8.211 12.805 1.00 63.22 H new ATOM 0 HH22 ARG A 115 19.141 -9.469 12.932 1.00 63.22 H new ATOM 1845 N LEU A 116 12.181 -9.406 13.203 1.00 42.53 N ATOM 1846 CA LEU A 116 12.000 -8.247 14.095 1.00 41.42 C ATOM 1847 C LEU A 116 13.328 -7.982 14.846 1.00 73.53 C ATOM 1848 O LEU A 116 13.510 -8.412 15.992 1.00 12.23 O ATOM 1849 CB LEU A 116 10.807 -8.475 15.073 1.00 74.31 C ATOM 1850 CG LEU A 116 10.530 -7.325 16.116 1.00 22.31 C ATOM 1851 CD1 LEU A 116 10.225 -5.983 15.424 1.00 64.25 C ATOM 1852 CD2 LEU A 116 9.407 -7.719 17.100 1.00 34.42 C ATOM 0 H LEU A 116 11.971 -10.302 13.642 1.00 42.53 H new ATOM 0 HA LEU A 116 11.750 -7.364 13.507 1.00 41.42 H new ATOM 0 HB2 LEU A 116 9.904 -8.626 14.482 1.00 74.31 H new ATOM 0 HB3 LEU A 116 10.986 -9.399 15.622 1.00 74.31 H new ATOM 0 HG LEU A 116 11.444 -7.187 16.693 1.00 22.31 H new ATOM 0 HD11 LEU A 116 10.040 -5.218 16.178 1.00 64.25 H new ATOM 0 HD12 LEU A 116 11.076 -5.689 14.810 1.00 64.25 H new ATOM 0 HD13 LEU A 116 9.343 -6.091 14.793 1.00 64.25 H new ATOM 0 HD21 LEU A 116 9.240 -6.906 17.806 1.00 34.42 H new ATOM 0 HD22 LEU A 116 8.489 -7.913 16.546 1.00 34.42 H new ATOM 0 HD23 LEU A 116 9.699 -8.617 17.644 1.00 34.42 H new ATOM 1864 N PHE A 117 14.272 -7.343 14.125 1.00 43.21 N ATOM 1865 CA PHE A 117 15.554 -6.876 14.668 1.00 74.23 C ATOM 1866 C PHE A 117 16.263 -6.036 13.585 1.00 33.43 C ATOM 1867 O PHE A 117 16.424 -4.811 13.765 1.00 24.45 O ATOM 1868 CB PHE A 117 16.469 -8.049 15.143 1.00 0.11 C ATOM 1869 CG PHE A 117 17.755 -7.579 15.832 1.00 21.14 C ATOM 1870 CD1 PHE A 117 17.712 -7.050 17.124 1.00 71.53 C ATOM 1871 CD2 PHE A 117 19.002 -7.663 15.204 1.00 3.22 C ATOM 1872 CE1 PHE A 117 18.864 -6.608 17.750 1.00 14.13 C ATOM 1873 CE2 PHE A 117 20.150 -7.221 15.831 1.00 53.00 C ATOM 1874 CZ PHE A 117 20.084 -6.703 17.108 1.00 4.41 C ATOM 1875 OXT PHE A 117 16.636 -6.604 12.537 1.00 37.86 O ATOM 0 H PHE A 117 14.158 -7.136 13.133 1.00 43.21 H new ATOM 0 HA PHE A 117 15.355 -6.271 15.553 1.00 74.23 H new ATOM 0 HB2 PHE A 117 15.908 -8.682 15.831 1.00 0.11 H new ATOM 0 HB3 PHE A 117 16.731 -8.666 14.284 1.00 0.11 H new ATOM 0 HD1 PHE A 117 16.766 -6.985 17.642 1.00 71.53 H new ATOM 0 HD2 PHE A 117 19.068 -8.081 14.210 1.00 3.22 H new ATOM 0 HE1 PHE A 117 18.810 -6.188 18.743 1.00 14.13 H new ATOM 0 HE2 PHE A 117 21.100 -7.281 15.321 1.00 53.00 H new ATOM 0 HZ PHE A 117 20.984 -6.372 17.605 1.00 4.41 H new TER 1885 PHE A 117