USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1184 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 80 THR OG1 : rot 150:sc= -0.239 USER MOD Set 1.2: A 81 THR OG1 : rot 157:sc= 0.044 USER MOD Set 1.3: A 109 HIS : no HD1:sc= -3.02! C(o=-3.2!,f=-5.1!) USER MOD Set 2.1: A 60 LYS NZ :NH3+ -164:sc= -0.105 (180deg=0) USER MOD Set 2.2: A 78 GLN : amide:sc= -0.0469 K(o=-0.15,f=0.43) USER MOD Set 3.1: A 49 THR OG1 : rot 135:sc= 0.149 USER MOD Set 3.2: A 66 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 4 SER OG : rot -109:sc= 0.335 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0.621 (180deg=0.556) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -2.03! USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 0.52 (180deg=-0.0181) USER MOD Single : A 36 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-4.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 63 TYR OH : rot 69:sc= 0.101 USER MOD Single : A 64 TYR OH : rot -140:sc= 0.282 USER MOD Single : A 65 MET CE :methyl -169:sc= -0.0163 (180deg=-0.188) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0611 K(o=-0.061,f=-2) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 142:sc= -0.714 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 121 THR OG1 : rot 2:sc= 0.432 USER MOD Single : A 123 MET CE :methyl -119:sc= -0.972 (180deg=-3.27) USER MOD Single : A 124 THR OG1 : rot 107:sc= 0.00159 USER MOD Single : A 127 SER OG : rot 108:sc= -0.704 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 131 SER OG : rot 180:sc= -0.107 USER MOD Single : A 134 GLN : amide:sc= 0.0484 K(o=0.048,f=-3.5!) USER MOD Single : A 135 MET CE :methyl -118:sc=-0.00602 (180deg=-0.0535) USER MOD Single : A 136 GLN : amide:sc= 0.0805 X(o=0.08,f=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 164:sc= -0.314 (180deg=-1.42) USER MOD Single : A 141 MET CE :methyl -163:sc= -0.0216 (180deg=-0.601) USER MOD Single : A 143 MET CE :methyl 177:sc= 0 (180deg=-0.0146) USER MOD Single : A 147 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.1) USER MOD Single : A 159 SER OG : rot -24:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -9.881 0.802 -9.752 1.00 24.33 N ATOM 18 CA VAL A 2 -8.725 0.086 -10.311 1.00 11.43 C ATOM 19 C VAL A 2 -8.982 -0.214 -11.806 1.00 4.42 C ATOM 20 O VAL A 2 -9.723 -1.142 -12.160 1.00 20.32 O ATOM 21 CB VAL A 2 -8.439 -1.232 -9.515 1.00 53.32 C ATOM 22 CG1 VAL A 2 -7.293 -2.060 -10.156 1.00 33.25 C ATOM 23 CG2 VAL A 2 -8.119 -0.912 -8.035 1.00 73.14 C ATOM 0 HA VAL A 2 -7.840 0.716 -10.221 1.00 11.43 H new ATOM 0 HB VAL A 2 -9.342 -1.842 -9.557 1.00 53.32 H new ATOM 0 HG11 VAL A 2 -7.128 -2.965 -9.572 1.00 33.25 H new ATOM 0 HG12 VAL A 2 -7.566 -2.331 -11.176 1.00 33.25 H new ATOM 0 HG13 VAL A 2 -6.379 -1.466 -10.171 1.00 33.25 H new ATOM 0 HG21 VAL A 2 -7.923 -1.839 -7.496 1.00 73.14 H new ATOM 0 HG22 VAL A 2 -7.240 -0.269 -7.984 1.00 73.14 H new ATOM 0 HG23 VAL A 2 -8.969 -0.402 -7.581 1.00 73.14 H new ATOM 33 N VAL A 3 -8.407 0.633 -12.666 1.00 35.13 N ATOM 34 CA VAL A 3 -8.584 0.552 -14.130 1.00 52.34 C ATOM 35 C VAL A 3 -7.710 -0.558 -14.780 1.00 31.30 C ATOM 36 O VAL A 3 -8.029 -1.034 -15.875 1.00 3.12 O ATOM 37 CB VAL A 3 -8.304 1.954 -14.797 1.00 61.55 C ATOM 38 CG1 VAL A 3 -9.428 2.966 -14.449 1.00 22.31 C ATOM 39 CG2 VAL A 3 -6.926 2.515 -14.363 1.00 74.23 C ATOM 0 H VAL A 3 -7.802 1.399 -12.371 1.00 35.13 H new ATOM 0 HA VAL A 3 -9.622 0.274 -14.312 1.00 52.34 H new ATOM 0 HB VAL A 3 -8.289 1.808 -15.877 1.00 61.55 H new ATOM 0 HG11 VAL A 3 -9.213 3.925 -14.920 1.00 22.31 H new ATOM 0 HG12 VAL A 3 -10.383 2.589 -14.814 1.00 22.31 H new ATOM 0 HG13 VAL A 3 -9.479 3.096 -13.368 1.00 22.31 H new ATOM 0 HG21 VAL A 3 -6.761 3.482 -14.838 1.00 74.23 H new ATOM 0 HG22 VAL A 3 -6.907 2.635 -13.280 1.00 74.23 H new ATOM 0 HG23 VAL A 3 -6.140 1.823 -14.665 1.00 74.23 H new ATOM 49 N SER A 4 -6.624 -0.978 -14.093 1.00 52.25 N ATOM 50 CA SER A 4 -5.710 -2.040 -14.596 1.00 23.41 C ATOM 51 C SER A 4 -4.928 -2.718 -13.441 1.00 62.13 C ATOM 52 O SER A 4 -4.633 -2.088 -12.421 1.00 74.13 O ATOM 53 CB SER A 4 -4.711 -1.447 -15.618 1.00 70.23 C ATOM 54 OG SER A 4 -3.835 -2.433 -16.131 1.00 42.14 O ATOM 0 H SER A 4 -6.355 -0.599 -13.185 1.00 52.25 H new ATOM 0 HA SER A 4 -6.326 -2.798 -15.081 1.00 23.41 H new ATOM 0 HB2 SER A 4 -5.261 -0.987 -16.439 1.00 70.23 H new ATOM 0 HB3 SER A 4 -4.130 -0.657 -15.142 1.00 70.23 H new ATOM 0 HG SER A 4 -2.935 -2.292 -15.769 1.00 42.14 H new ATOM 60 N VAL A 5 -4.614 -4.021 -13.618 1.00 31.40 N ATOM 61 CA VAL A 5 -3.719 -4.794 -12.715 1.00 71.12 C ATOM 62 C VAL A 5 -2.672 -5.538 -13.576 1.00 75.43 C ATOM 63 O VAL A 5 -3.009 -6.483 -14.291 1.00 41.20 O ATOM 64 CB VAL A 5 -4.498 -5.845 -11.812 1.00 54.32 C ATOM 65 CG1 VAL A 5 -3.529 -6.634 -10.883 1.00 70.30 C ATOM 66 CG2 VAL A 5 -5.595 -5.160 -10.975 1.00 22.32 C ATOM 0 H VAL A 5 -4.975 -4.573 -14.396 1.00 31.40 H new ATOM 0 HA VAL A 5 -3.247 -4.084 -12.036 1.00 71.12 H new ATOM 0 HB VAL A 5 -4.972 -6.555 -12.490 1.00 54.32 H new ATOM 0 HG11 VAL A 5 -4.098 -7.343 -10.281 1.00 70.30 H new ATOM 0 HG12 VAL A 5 -2.803 -7.175 -11.490 1.00 70.30 H new ATOM 0 HG13 VAL A 5 -3.007 -5.938 -10.227 1.00 70.30 H new ATOM 0 HG21 VAL A 5 -6.109 -5.906 -10.369 1.00 22.32 H new ATOM 0 HG22 VAL A 5 -5.142 -4.412 -10.324 1.00 22.32 H new ATOM 0 HG23 VAL A 5 -6.311 -4.676 -11.640 1.00 22.32 H new ATOM 76 N ASP A 6 -1.419 -5.078 -13.529 1.00 64.42 N ATOM 77 CA ASP A 6 -0.292 -5.697 -14.256 1.00 62.14 C ATOM 78 C ASP A 6 0.606 -6.483 -13.271 1.00 61.51 C ATOM 79 O ASP A 6 1.145 -5.904 -12.329 1.00 10.42 O ATOM 80 CB ASP A 6 0.519 -4.587 -14.968 1.00 52.22 C ATOM 81 CG ASP A 6 -0.336 -3.778 -15.954 1.00 61.23 C ATOM 82 OD1 ASP A 6 -0.450 -4.179 -17.129 1.00 70.35 O ATOM 83 OD2 ASP A 6 -0.911 -2.742 -15.540 1.00 31.52 O ATOM 0 H ASP A 6 -1.149 -4.260 -12.983 1.00 64.42 H new ATOM 0 HA ASP A 6 -0.672 -6.396 -15.001 1.00 62.14 H new ATOM 0 HB2 ASP A 6 0.942 -3.915 -14.222 1.00 52.22 H new ATOM 0 HB3 ASP A 6 1.356 -5.038 -15.502 1.00 52.22 H new ATOM 88 N LYS A 7 0.760 -7.797 -13.494 1.00 23.21 N ATOM 89 CA LYS A 7 1.597 -8.673 -12.638 1.00 44.54 C ATOM 90 C LYS A 7 2.731 -9.300 -13.475 1.00 0.23 C ATOM 91 O LYS A 7 2.475 -10.093 -14.388 1.00 12.01 O ATOM 92 CB LYS A 7 0.720 -9.780 -11.991 1.00 71.14 C ATOM 93 CG LYS A 7 1.491 -10.772 -11.083 1.00 50.20 C ATOM 94 CD LYS A 7 0.588 -11.895 -10.521 1.00 32.42 C ATOM 95 CE LYS A 7 1.382 -12.953 -9.729 1.00 33.32 C ATOM 96 NZ LYS A 7 0.510 -14.052 -9.241 1.00 32.55 N ATOM 0 H LYS A 7 0.312 -8.288 -14.268 1.00 23.21 H new ATOM 0 HA LYS A 7 2.042 -8.075 -11.843 1.00 44.54 H new ATOM 0 HB2 LYS A 7 -0.064 -9.305 -11.402 1.00 71.14 H new ATOM 0 HB3 LYS A 7 0.227 -10.343 -12.784 1.00 71.14 H new ATOM 0 HG2 LYS A 7 2.307 -11.218 -11.651 1.00 50.20 H new ATOM 0 HG3 LYS A 7 1.941 -10.225 -10.255 1.00 50.20 H new ATOM 0 HD2 LYS A 7 -0.171 -11.456 -9.874 1.00 32.42 H new ATOM 0 HD3 LYS A 7 0.063 -12.380 -11.344 1.00 32.42 H new ATOM 0 HE2 LYS A 7 2.167 -13.367 -10.362 1.00 33.32 H new ATOM 0 HE3 LYS A 7 1.875 -12.477 -8.881 1.00 33.32 H new ATOM 0 HZ1 LYS A 7 1.099 -14.821 -8.864 1.00 32.55 H new ATOM 0 HZ2 LYS A 7 -0.113 -13.693 -8.490 1.00 32.55 H new ATOM 0 HZ3 LYS A 7 -0.068 -14.412 -10.027 1.00 32.55 H new ATOM 110 N ASP A 8 3.987 -8.928 -13.168 1.00 54.11 N ATOM 111 CA ASP A 8 5.186 -9.462 -13.860 1.00 1.12 C ATOM 112 C ASP A 8 6.061 -10.251 -12.854 1.00 32.44 C ATOM 113 O ASP A 8 6.723 -9.664 -11.994 1.00 74.02 O ATOM 114 CB ASP A 8 5.996 -8.300 -14.509 1.00 44.51 C ATOM 115 CG ASP A 8 6.890 -8.775 -15.669 1.00 42.11 C ATOM 116 OD1 ASP A 8 7.842 -9.547 -15.432 1.00 45.42 O ATOM 117 OD2 ASP A 8 6.640 -8.386 -16.830 1.00 51.33 O ATOM 0 H ASP A 8 4.205 -8.251 -12.436 1.00 54.11 H new ATOM 0 HA ASP A 8 4.872 -10.139 -14.654 1.00 1.12 H new ATOM 0 HB2 ASP A 8 5.305 -7.541 -14.876 1.00 44.51 H new ATOM 0 HB3 ASP A 8 6.616 -7.826 -13.748 1.00 44.51 H new ATOM 122 N VAL A 9 6.066 -11.586 -12.980 1.00 61.13 N ATOM 123 CA VAL A 9 6.747 -12.492 -12.024 1.00 32.03 C ATOM 124 C VAL A 9 8.254 -12.668 -12.373 1.00 25.12 C ATOM 125 O VAL A 9 9.055 -13.082 -11.528 1.00 21.22 O ATOM 126 CB VAL A 9 6.020 -13.890 -11.961 1.00 52.55 C ATOM 127 CG1 VAL A 9 6.458 -14.692 -10.714 1.00 54.44 C ATOM 128 CG2 VAL A 9 4.479 -13.726 -11.989 1.00 13.43 C ATOM 0 H VAL A 9 5.600 -12.075 -13.745 1.00 61.13 H new ATOM 0 HA VAL A 9 6.690 -12.030 -11.038 1.00 32.03 H new ATOM 0 HB VAL A 9 6.316 -14.451 -12.848 1.00 52.55 H new ATOM 0 HG11 VAL A 9 5.940 -15.651 -10.698 1.00 54.44 H new ATOM 0 HG12 VAL A 9 7.534 -14.861 -10.750 1.00 54.44 H new ATOM 0 HG13 VAL A 9 6.209 -14.130 -9.814 1.00 54.44 H new ATOM 0 HG21 VAL A 9 4.008 -14.708 -11.944 1.00 13.43 H new ATOM 0 HG22 VAL A 9 4.161 -13.131 -11.133 1.00 13.43 H new ATOM 0 HG23 VAL A 9 4.183 -13.223 -12.910 1.00 13.43 H new ATOM 138 N GLU A 10 8.626 -12.365 -13.627 1.00 11.23 N ATOM 139 CA GLU A 10 10.041 -12.385 -14.093 1.00 0.44 C ATOM 140 C GLU A 10 10.831 -11.183 -13.534 1.00 53.34 C ATOM 141 O GLU A 10 11.953 -11.322 -13.044 1.00 21.14 O ATOM 142 CB GLU A 10 10.087 -12.373 -15.642 1.00 11.41 C ATOM 143 CG GLU A 10 9.417 -13.590 -16.296 1.00 14.44 C ATOM 144 CD GLU A 10 9.399 -13.514 -17.829 1.00 4.42 C ATOM 145 OE1 GLU A 10 8.501 -12.850 -18.387 1.00 35.20 O ATOM 146 OE2 GLU A 10 10.284 -14.111 -18.479 1.00 71.43 O ATOM 0 H GLU A 10 7.962 -12.098 -14.354 1.00 11.23 H new ATOM 0 HA GLU A 10 10.507 -13.298 -13.723 1.00 0.44 H new ATOM 0 HB2 GLU A 10 9.601 -11.466 -16.003 1.00 11.41 H new ATOM 0 HB3 GLU A 10 11.127 -12.327 -15.964 1.00 11.41 H new ATOM 0 HG2 GLU A 10 9.941 -14.495 -15.989 1.00 14.44 H new ATOM 0 HG3 GLU A 10 8.394 -13.675 -15.930 1.00 14.44 H new ATOM 153 N ALA A 11 10.210 -9.999 -13.625 1.00 32.00 N ATOM 154 CA ALA A 11 10.769 -8.734 -13.102 1.00 11.52 C ATOM 155 C ALA A 11 10.459 -8.539 -11.597 1.00 13.31 C ATOM 156 O ALA A 11 10.921 -7.561 -10.990 1.00 1.54 O ATOM 157 CB ALA A 11 10.220 -7.560 -13.925 1.00 71.41 C ATOM 0 H ALA A 11 9.298 -9.886 -14.067 1.00 32.00 H new ATOM 0 HA ALA A 11 11.854 -8.775 -13.197 1.00 11.52 H new ATOM 0 HB1 ALA A 11 10.629 -6.625 -13.543 1.00 71.41 H new ATOM 0 HB2 ALA A 11 10.507 -7.682 -14.969 1.00 71.41 H new ATOM 0 HB3 ALA A 11 9.133 -7.538 -13.848 1.00 71.41 H new ATOM 163 N LEU A 12 9.678 -9.487 -11.020 1.00 74.41 N ATOM 164 CA LEU A 12 9.268 -9.497 -9.590 1.00 73.33 C ATOM 165 C LEU A 12 8.483 -8.228 -9.187 1.00 54.41 C ATOM 166 O LEU A 12 8.504 -7.819 -8.034 1.00 31.42 O ATOM 167 CB LEU A 12 10.511 -9.711 -8.669 1.00 61.23 C ATOM 168 CG LEU A 12 11.348 -10.997 -8.951 1.00 22.53 C ATOM 169 CD1 LEU A 12 12.608 -11.051 -8.061 1.00 45.40 C ATOM 170 CD2 LEU A 12 10.487 -12.262 -8.779 1.00 14.32 C ATOM 0 H LEU A 12 9.308 -10.280 -11.544 1.00 74.41 H new ATOM 0 HA LEU A 12 8.584 -10.335 -9.456 1.00 73.33 H new ATOM 0 HB2 LEU A 12 11.166 -8.845 -8.766 1.00 61.23 H new ATOM 0 HB3 LEU A 12 10.172 -9.740 -7.633 1.00 61.23 H new ATOM 0 HG LEU A 12 11.681 -10.959 -9.988 1.00 22.53 H new ATOM 0 HD11 LEU A 12 13.170 -11.959 -8.281 1.00 45.40 H new ATOM 0 HD12 LEU A 12 13.232 -10.180 -8.261 1.00 45.40 H new ATOM 0 HD13 LEU A 12 12.313 -11.053 -7.012 1.00 45.40 H new ATOM 0 HD21 LEU A 12 11.093 -13.145 -8.981 1.00 14.32 H new ATOM 0 HD22 LEU A 12 10.108 -12.308 -7.758 1.00 14.32 H new ATOM 0 HD23 LEU A 12 9.650 -12.230 -9.476 1.00 14.32 H new ATOM 182 N SER A 13 7.757 -7.633 -10.139 1.00 14.35 N ATOM 183 CA SER A 13 7.028 -6.366 -9.927 1.00 55.41 C ATOM 184 C SER A 13 5.512 -6.557 -10.125 1.00 10.23 C ATOM 185 O SER A 13 5.065 -7.073 -11.152 1.00 53.35 O ATOM 186 CB SER A 13 7.573 -5.277 -10.879 1.00 2.01 C ATOM 187 OG SER A 13 7.498 -5.673 -12.244 1.00 35.35 O ATOM 0 H SER A 13 7.654 -8.012 -11.081 1.00 14.35 H new ATOM 0 HA SER A 13 7.188 -6.045 -8.898 1.00 55.41 H new ATOM 0 HB2 SER A 13 7.007 -4.356 -10.737 1.00 2.01 H new ATOM 0 HB3 SER A 13 8.609 -5.057 -10.622 1.00 2.01 H new ATOM 0 HG SER A 13 7.850 -4.957 -12.812 1.00 35.35 H new ATOM 193 N PHE A 14 4.729 -6.132 -9.125 1.00 65.31 N ATOM 194 CA PHE A 14 3.258 -6.198 -9.144 1.00 12.14 C ATOM 195 C PHE A 14 2.685 -4.762 -9.070 1.00 32.01 C ATOM 196 O PHE A 14 2.666 -4.130 -8.016 1.00 55.43 O ATOM 197 CB PHE A 14 2.784 -7.087 -7.960 1.00 40.41 C ATOM 198 CG PHE A 14 1.277 -7.133 -7.721 1.00 40.55 C ATOM 199 CD1 PHE A 14 0.404 -7.574 -8.717 1.00 4.44 C ATOM 200 CD2 PHE A 14 0.736 -6.749 -6.491 1.00 25.41 C ATOM 201 CE1 PHE A 14 -0.956 -7.632 -8.487 1.00 53.31 C ATOM 202 CE2 PHE A 14 -0.621 -6.804 -6.266 1.00 3.23 C ATOM 203 CZ PHE A 14 -1.468 -7.243 -7.262 1.00 35.13 C ATOM 0 H PHE A 14 5.103 -5.727 -8.267 1.00 65.31 H new ATOM 0 HA PHE A 14 2.894 -6.648 -10.068 1.00 12.14 H new ATOM 0 HB2 PHE A 14 3.136 -8.104 -8.131 1.00 40.41 H new ATOM 0 HB3 PHE A 14 3.266 -6.732 -7.049 1.00 40.41 H new ATOM 0 HD1 PHE A 14 0.797 -7.873 -9.678 1.00 4.44 H new ATOM 0 HD2 PHE A 14 1.392 -6.404 -5.706 1.00 25.41 H new ATOM 0 HE1 PHE A 14 -1.620 -7.981 -9.264 1.00 53.31 H new ATOM 0 HE2 PHE A 14 -1.022 -6.503 -5.309 1.00 3.23 H new ATOM 0 HZ PHE A 14 -2.533 -7.283 -7.085 1.00 35.13 H new ATOM 213 N SER A 15 2.212 -4.266 -10.218 1.00 22.01 N ATOM 214 CA SER A 15 1.738 -2.873 -10.386 1.00 12.13 C ATOM 215 C SER A 15 0.197 -2.805 -10.476 1.00 73.22 C ATOM 216 O SER A 15 -0.406 -3.390 -11.378 1.00 61.15 O ATOM 217 CB SER A 15 2.389 -2.261 -11.652 1.00 72.51 C ATOM 218 OG SER A 15 2.189 -3.071 -12.790 1.00 11.01 O ATOM 0 H SER A 15 2.143 -4.821 -11.071 1.00 22.01 H new ATOM 0 HA SER A 15 2.034 -2.296 -9.510 1.00 12.13 H new ATOM 0 HB2 SER A 15 1.971 -1.271 -11.833 1.00 72.51 H new ATOM 0 HB3 SER A 15 3.458 -2.129 -11.483 1.00 72.51 H new ATOM 0 HG SER A 15 2.612 -2.652 -13.568 1.00 11.01 H new ATOM 224 N ILE A 16 -0.435 -2.094 -9.528 1.00 54.32 N ATOM 225 CA ILE A 16 -1.889 -1.834 -9.539 1.00 21.51 C ATOM 226 C ILE A 16 -2.142 -0.382 -9.989 1.00 54.51 C ATOM 227 O ILE A 16 -1.744 0.568 -9.304 1.00 43.43 O ATOM 228 CB ILE A 16 -2.531 -2.071 -8.120 1.00 3.41 C ATOM 229 CG1 ILE A 16 -2.231 -3.518 -7.624 1.00 43.15 C ATOM 230 CG2 ILE A 16 -4.062 -1.791 -8.140 1.00 43.21 C ATOM 231 CD1 ILE A 16 -2.682 -3.807 -6.203 1.00 53.42 C ATOM 0 H ILE A 16 0.047 -1.681 -8.729 1.00 54.32 H new ATOM 0 HA ILE A 16 -2.356 -2.530 -10.236 1.00 21.51 H new ATOM 0 HB ILE A 16 -2.080 -1.368 -7.420 1.00 3.41 H new ATOM 0 HG12 ILE A 16 -2.716 -4.226 -8.296 1.00 43.15 H new ATOM 0 HG13 ILE A 16 -1.158 -3.696 -7.694 1.00 43.15 H new ATOM 0 HG21 ILE A 16 -4.476 -1.963 -7.147 1.00 43.21 H new ATOM 0 HG22 ILE A 16 -4.239 -0.756 -8.432 1.00 43.21 H new ATOM 0 HG23 ILE A 16 -4.544 -2.457 -8.855 1.00 43.21 H new ATOM 0 HD11 ILE A 16 -2.432 -4.836 -5.944 1.00 53.42 H new ATOM 0 HD12 ILE A 16 -2.178 -3.127 -5.516 1.00 53.42 H new ATOM 0 HD13 ILE A 16 -3.760 -3.665 -6.128 1.00 53.42 H new ATOM 243 N VAL A 17 -2.780 -0.227 -11.154 1.00 10.33 N ATOM 244 CA VAL A 17 -3.092 1.086 -11.741 1.00 30.12 C ATOM 245 C VAL A 17 -4.555 1.470 -11.414 1.00 24.12 C ATOM 246 O VAL A 17 -5.501 0.831 -11.890 1.00 73.22 O ATOM 247 CB VAL A 17 -2.868 1.078 -13.300 1.00 72.34 C ATOM 248 CG1 VAL A 17 -3.066 2.491 -13.907 1.00 51.43 C ATOM 249 CG2 VAL A 17 -1.477 0.498 -13.663 1.00 51.31 C ATOM 0 H VAL A 17 -3.098 -1.013 -11.722 1.00 10.33 H new ATOM 0 HA VAL A 17 -2.418 1.826 -11.308 1.00 30.12 H new ATOM 0 HB VAL A 17 -3.623 0.425 -13.738 1.00 72.34 H new ATOM 0 HG11 VAL A 17 -2.904 2.450 -14.984 1.00 51.43 H new ATOM 0 HG12 VAL A 17 -4.081 2.835 -13.705 1.00 51.43 H new ATOM 0 HG13 VAL A 17 -2.353 3.183 -13.459 1.00 51.43 H new ATOM 0 HG21 VAL A 17 -1.351 0.505 -14.746 1.00 51.31 H new ATOM 0 HG22 VAL A 17 -0.698 1.106 -13.203 1.00 51.31 H new ATOM 0 HG23 VAL A 17 -1.403 -0.526 -13.296 1.00 51.31 H new ATOM 259 N ALA A 18 -4.717 2.486 -10.569 1.00 75.54 N ATOM 260 CA ALA A 18 -6.030 3.016 -10.159 1.00 23.01 C ATOM 261 C ALA A 18 -6.165 4.502 -10.553 1.00 62.50 C ATOM 262 O ALA A 18 -5.170 5.186 -10.736 1.00 20.10 O ATOM 263 CB ALA A 18 -6.213 2.830 -8.644 1.00 51.25 C ATOM 0 H ALA A 18 -3.932 2.976 -10.140 1.00 75.54 H new ATOM 0 HA ALA A 18 -6.814 2.463 -10.677 1.00 23.01 H new ATOM 0 HB1 ALA A 18 -7.184 3.223 -8.344 1.00 51.25 H new ATOM 0 HB2 ALA A 18 -6.159 1.769 -8.398 1.00 51.25 H new ATOM 0 HB3 ALA A 18 -5.426 3.366 -8.114 1.00 51.25 H new ATOM 269 N GLU A 19 -7.412 4.980 -10.697 1.00 11.21 N ATOM 270 CA GLU A 19 -7.742 6.397 -10.982 1.00 52.20 C ATOM 271 C GLU A 19 -8.899 6.858 -10.075 1.00 50.13 C ATOM 272 O GLU A 19 -9.906 6.153 -9.927 1.00 34.03 O ATOM 273 CB GLU A 19 -8.121 6.594 -12.480 1.00 13.42 C ATOM 274 CG GLU A 19 -6.940 6.427 -13.464 1.00 33.43 C ATOM 275 CD GLU A 19 -7.308 6.674 -14.933 1.00 65.24 C ATOM 276 OE1 GLU A 19 -7.976 7.692 -15.226 1.00 13.32 O ATOM 277 OE2 GLU A 19 -6.914 5.872 -15.805 1.00 62.02 O ATOM 0 H GLU A 19 -8.238 4.386 -10.618 1.00 11.21 H new ATOM 0 HA GLU A 19 -6.860 7.003 -10.775 1.00 52.20 H new ATOM 0 HB2 GLU A 19 -8.901 5.879 -12.742 1.00 13.42 H new ATOM 0 HB3 GLU A 19 -8.546 7.590 -12.607 1.00 13.42 H new ATOM 0 HG2 GLU A 19 -6.144 7.115 -13.179 1.00 33.43 H new ATOM 0 HG3 GLU A 19 -6.539 5.418 -13.366 1.00 33.43 H new ATOM 284 N PHE A 20 -8.739 8.044 -9.470 1.00 61.45 N ATOM 285 CA PHE A 20 -9.726 8.643 -8.541 1.00 44.04 C ATOM 286 C PHE A 20 -10.016 10.094 -8.962 1.00 41.41 C ATOM 287 O PHE A 20 -9.093 10.837 -9.317 1.00 24.54 O ATOM 288 CB PHE A 20 -9.192 8.599 -7.081 1.00 12.25 C ATOM 289 CG PHE A 20 -8.818 7.195 -6.604 1.00 2.21 C ATOM 290 CD1 PHE A 20 -9.808 6.267 -6.271 1.00 55.11 C ATOM 291 CD2 PHE A 20 -7.485 6.798 -6.512 1.00 42.11 C ATOM 292 CE1 PHE A 20 -9.471 4.991 -5.864 1.00 42.14 C ATOM 293 CE2 PHE A 20 -7.153 5.524 -6.102 1.00 72.44 C ATOM 294 CZ PHE A 20 -8.145 4.621 -5.779 1.00 33.40 C ATOM 0 H PHE A 20 -7.913 8.626 -9.609 1.00 61.45 H new ATOM 0 HA PHE A 20 -10.651 8.068 -8.584 1.00 44.04 H new ATOM 0 HB2 PHE A 20 -8.317 9.244 -7.004 1.00 12.25 H new ATOM 0 HB3 PHE A 20 -9.950 9.010 -6.414 1.00 12.25 H new ATOM 0 HD1 PHE A 20 -10.848 6.551 -6.333 1.00 55.11 H new ATOM 0 HD2 PHE A 20 -6.702 7.497 -6.765 1.00 42.11 H new ATOM 0 HE1 PHE A 20 -10.246 4.282 -5.612 1.00 42.14 H new ATOM 0 HE2 PHE A 20 -6.115 5.233 -6.034 1.00 72.44 H new ATOM 0 HZ PHE A 20 -7.883 3.623 -5.459 1.00 33.40 H new ATOM 304 N ASP A 21 -11.291 10.487 -8.920 1.00 61.05 N ATOM 305 CA ASP A 21 -11.735 11.833 -9.337 1.00 54.13 C ATOM 306 C ASP A 21 -11.422 12.889 -8.232 1.00 1.45 C ATOM 307 O ASP A 21 -12.252 13.203 -7.369 1.00 2.34 O ATOM 308 CB ASP A 21 -13.237 11.791 -9.738 1.00 71.23 C ATOM 309 CG ASP A 21 -14.150 11.166 -8.664 1.00 35.54 C ATOM 310 OD1 ASP A 21 -14.104 9.929 -8.478 1.00 45.24 O ATOM 311 OD2 ASP A 21 -14.925 11.900 -8.016 1.00 5.53 O ATOM 0 H ASP A 21 -12.050 9.887 -8.597 1.00 61.05 H new ATOM 0 HA ASP A 21 -11.176 12.147 -10.218 1.00 54.13 H new ATOM 0 HB2 ASP A 21 -13.577 12.806 -9.945 1.00 71.23 H new ATOM 0 HB3 ASP A 21 -13.341 11.225 -10.664 1.00 71.23 H new ATOM 316 N ALA A 22 -10.182 13.409 -8.283 1.00 2.32 N ATOM 317 CA ALA A 22 -9.625 14.356 -7.286 1.00 61.51 C ATOM 318 C ALA A 22 -8.336 15.016 -7.835 1.00 15.42 C ATOM 319 O ALA A 22 -7.965 14.797 -8.986 1.00 42.20 O ATOM 320 CB ALA A 22 -9.334 13.606 -5.968 1.00 52.45 C ATOM 0 H ALA A 22 -9.524 13.182 -9.029 1.00 2.32 H new ATOM 0 HA ALA A 22 -10.353 15.143 -7.091 1.00 61.51 H new ATOM 0 HB1 ALA A 22 -8.925 14.302 -5.236 1.00 52.45 H new ATOM 0 HB2 ALA A 22 -10.258 13.176 -5.582 1.00 52.45 H new ATOM 0 HB3 ALA A 22 -8.613 12.810 -6.154 1.00 52.45 H new ATOM 326 N ASP A 23 -7.651 15.834 -7.013 1.00 35.54 N ATOM 327 CA ASP A 23 -6.298 16.342 -7.356 1.00 60.15 C ATOM 328 C ASP A 23 -5.212 15.435 -6.737 1.00 71.21 C ATOM 329 O ASP A 23 -5.516 14.521 -5.946 1.00 40.22 O ATOM 330 CB ASP A 23 -6.107 17.812 -6.905 1.00 54.15 C ATOM 331 CG ASP A 23 -6.275 17.997 -5.394 1.00 13.25 C ATOM 332 OD1 ASP A 23 -7.426 18.143 -4.930 1.00 5.11 O ATOM 333 OD2 ASP A 23 -5.258 17.988 -4.659 1.00 41.43 O ATOM 0 H ASP A 23 -8.004 16.158 -6.113 1.00 35.54 H new ATOM 0 HA ASP A 23 -6.199 16.319 -8.441 1.00 60.15 H new ATOM 0 HB2 ASP A 23 -5.114 18.151 -7.200 1.00 54.15 H new ATOM 0 HB3 ASP A 23 -6.827 18.443 -7.426 1.00 54.15 H new ATOM 338 N VAL A 24 -3.955 15.717 -7.094 1.00 1.20 N ATOM 339 CA VAL A 24 -2.785 14.897 -6.714 1.00 62.20 C ATOM 340 C VAL A 24 -2.568 14.864 -5.185 1.00 43.53 C ATOM 341 O VAL A 24 -2.360 13.798 -4.616 1.00 44.31 O ATOM 342 CB VAL A 24 -1.501 15.415 -7.456 1.00 73.20 C ATOM 343 CG1 VAL A 24 -0.242 14.586 -7.102 1.00 54.13 C ATOM 344 CG2 VAL A 24 -1.723 15.417 -8.980 1.00 15.23 C ATOM 0 H VAL A 24 -3.712 16.529 -7.661 1.00 1.20 H new ATOM 0 HA VAL A 24 -2.983 13.871 -7.024 1.00 62.20 H new ATOM 0 HB VAL A 24 -1.326 16.435 -7.115 1.00 73.20 H new ATOM 0 HG11 VAL A 24 0.619 14.984 -7.640 1.00 54.13 H new ATOM 0 HG12 VAL A 24 -0.058 14.644 -6.029 1.00 54.13 H new ATOM 0 HG13 VAL A 24 -0.399 13.546 -7.387 1.00 54.13 H new ATOM 0 HG21 VAL A 24 -0.824 15.779 -9.478 1.00 15.23 H new ATOM 0 HG22 VAL A 24 -1.942 14.404 -9.317 1.00 15.23 H new ATOM 0 HG23 VAL A 24 -2.561 16.070 -9.225 1.00 15.23 H new ATOM 354 N LYS A 25 -2.661 16.033 -4.531 1.00 4.02 N ATOM 355 CA LYS A 25 -2.522 16.153 -3.056 1.00 20.21 C ATOM 356 C LYS A 25 -3.703 15.504 -2.294 1.00 5.33 C ATOM 357 O LYS A 25 -3.536 15.079 -1.148 1.00 31.32 O ATOM 358 CB LYS A 25 -2.340 17.639 -2.623 1.00 72.30 C ATOM 359 CG LYS A 25 -0.913 18.229 -2.868 1.00 43.15 C ATOM 360 CD LYS A 25 -0.149 18.591 -1.559 1.00 20.34 C ATOM 361 CE LYS A 25 0.075 17.391 -0.613 1.00 22.54 C ATOM 362 NZ LYS A 25 0.708 17.793 0.670 1.00 43.43 N ATOM 0 H LYS A 25 -2.834 16.922 -5.000 1.00 4.02 H new ATOM 0 HA LYS A 25 -1.622 15.601 -2.785 1.00 20.21 H new ATOM 0 HB2 LYS A 25 -3.066 18.250 -3.160 1.00 72.30 H new ATOM 0 HB3 LYS A 25 -2.574 17.724 -1.562 1.00 72.30 H new ATOM 0 HG2 LYS A 25 -0.324 17.507 -3.434 1.00 43.15 H new ATOM 0 HG3 LYS A 25 -1.001 19.123 -3.486 1.00 43.15 H new ATOM 0 HD2 LYS A 25 0.818 19.020 -1.821 1.00 20.34 H new ATOM 0 HD3 LYS A 25 -0.706 19.362 -1.026 1.00 20.34 H new ATOM 0 HE2 LYS A 25 -0.881 16.909 -0.408 1.00 22.54 H new ATOM 0 HE3 LYS A 25 0.704 16.652 -1.110 1.00 22.54 H new ATOM 0 HZ1 LYS A 25 0.437 17.121 1.416 1.00 43.43 H new ATOM 0 HZ2 LYS A 25 1.742 17.792 0.562 1.00 43.43 H new ATOM 0 HZ3 LYS A 25 0.388 18.748 0.931 1.00 43.43 H new ATOM 376 N ARG A 26 -4.889 15.458 -2.928 1.00 61.12 N ATOM 377 CA ARG A 26 -6.099 14.834 -2.335 1.00 51.13 C ATOM 378 C ARG A 26 -5.938 13.293 -2.239 1.00 74.33 C ATOM 379 O ARG A 26 -6.286 12.683 -1.223 1.00 50.31 O ATOM 380 CB ARG A 26 -7.350 15.202 -3.170 1.00 43.41 C ATOM 381 CG ARG A 26 -8.703 14.756 -2.563 1.00 71.34 C ATOM 382 CD ARG A 26 -8.995 15.419 -1.207 1.00 1.21 C ATOM 383 NE ARG A 26 -10.322 15.055 -0.687 1.00 62.51 N ATOM 384 CZ ARG A 26 -10.808 15.419 0.482 1.00 60.43 C ATOM 385 NH1 ARG A 26 -10.108 16.124 1.321 1.00 73.43 N ATOM 386 NH2 ARG A 26 -12.012 15.071 0.801 1.00 1.24 N ATOM 0 H ARG A 26 -5.041 15.847 -3.858 1.00 61.12 H new ATOM 0 HA ARG A 26 -6.227 15.220 -1.324 1.00 51.13 H new ATOM 0 HB2 ARG A 26 -7.370 16.283 -3.307 1.00 43.41 H new ATOM 0 HB3 ARG A 26 -7.250 14.757 -4.160 1.00 43.41 H new ATOM 0 HG2 ARG A 26 -9.506 14.996 -3.260 1.00 71.34 H new ATOM 0 HG3 ARG A 26 -8.701 13.673 -2.440 1.00 71.34 H new ATOM 0 HD2 ARG A 26 -8.231 15.124 -0.488 1.00 1.21 H new ATOM 0 HD3 ARG A 26 -8.932 16.502 -1.313 1.00 1.21 H new ATOM 0 HE ARG A 26 -10.914 14.473 -1.280 1.00 62.51 H new ATOM 0 HH11 ARG A 26 -9.159 16.408 1.080 1.00 73.43 H new ATOM 0 HH12 ARG A 26 -10.508 16.393 2.220 1.00 73.43 H new ATOM 0 HH21 ARG A 26 -12.573 14.521 0.151 1.00 1.24 H new ATOM 0 HH22 ARG A 26 -12.400 15.346 1.703 1.00 1.24 H new ATOM 400 N VAL A 27 -5.408 12.680 -3.316 1.00 21.22 N ATOM 401 CA VAL A 27 -5.087 11.231 -3.345 1.00 75.51 C ATOM 402 C VAL A 27 -3.791 10.941 -2.528 1.00 2.44 C ATOM 403 O VAL A 27 -3.636 9.872 -1.957 1.00 52.10 O ATOM 404 CB VAL A 27 -4.953 10.698 -4.824 1.00 34.43 C ATOM 405 CG1 VAL A 27 -4.752 9.157 -4.866 1.00 21.11 C ATOM 406 CG2 VAL A 27 -6.178 11.115 -5.685 1.00 53.25 C ATOM 0 H VAL A 27 -5.190 13.167 -4.186 1.00 21.22 H new ATOM 0 HA VAL A 27 -5.915 10.696 -2.879 1.00 75.51 H new ATOM 0 HB VAL A 27 -4.062 11.159 -5.251 1.00 34.43 H new ATOM 0 HG11 VAL A 27 -4.664 8.830 -5.902 1.00 21.11 H new ATOM 0 HG12 VAL A 27 -3.844 8.894 -4.324 1.00 21.11 H new ATOM 0 HG13 VAL A 27 -5.607 8.666 -4.402 1.00 21.11 H new ATOM 0 HG21 VAL A 27 -6.057 10.733 -6.699 1.00 53.25 H new ATOM 0 HG22 VAL A 27 -7.087 10.702 -5.248 1.00 53.25 H new ATOM 0 HG23 VAL A 27 -6.250 12.202 -5.713 1.00 53.25 H new ATOM 416 N TRP A 28 -2.861 11.910 -2.497 1.00 63.55 N ATOM 417 CA TRP A 28 -1.638 11.851 -1.647 1.00 70.33 C ATOM 418 C TRP A 28 -1.985 11.909 -0.140 1.00 4.42 C ATOM 419 O TRP A 28 -1.243 11.385 0.690 1.00 24.04 O ATOM 420 CB TRP A 28 -0.688 13.020 -2.029 1.00 34.51 C ATOM 421 CG TRP A 28 0.645 13.049 -1.313 1.00 2.33 C ATOM 422 CD1 TRP A 28 1.011 13.879 -0.292 1.00 33.43 C ATOM 423 CD2 TRP A 28 1.788 12.221 -1.581 1.00 20.45 C ATOM 424 NE1 TRP A 28 2.304 13.624 0.083 1.00 44.45 N ATOM 425 CE2 TRP A 28 2.803 12.614 -0.692 1.00 13.42 C ATOM 426 CE3 TRP A 28 2.052 11.192 -2.491 1.00 40.21 C ATOM 427 CZ2 TRP A 28 4.057 12.016 -0.683 1.00 1.44 C ATOM 428 CZ3 TRP A 28 3.296 10.602 -2.481 1.00 11.43 C ATOM 429 CH2 TRP A 28 4.288 11.018 -1.583 1.00 53.11 C ATOM 0 H TRP A 28 -2.927 12.760 -3.057 1.00 63.55 H new ATOM 0 HA TRP A 28 -1.140 10.898 -1.828 1.00 70.33 H new ATOM 0 HB2 TRP A 28 -0.501 12.975 -3.102 1.00 34.51 H new ATOM 0 HB3 TRP A 28 -1.204 13.960 -1.834 1.00 34.51 H new ATOM 0 HD1 TRP A 28 0.374 14.628 0.155 1.00 33.43 H new ATOM 0 HE1 TRP A 28 2.813 14.110 0.822 1.00 44.45 H new ATOM 0 HE3 TRP A 28 1.294 10.866 -3.188 1.00 40.21 H new ATOM 0 HZ2 TRP A 28 4.822 12.330 0.012 1.00 1.44 H new ATOM 0 HZ3 TRP A 28 3.511 9.805 -3.177 1.00 11.43 H new ATOM 0 HH2 TRP A 28 5.255 10.538 -1.604 1.00 53.11 H new ATOM 440 N ALA A 29 -3.111 12.562 0.191 1.00 21.02 N ATOM 441 CA ALA A 29 -3.580 12.739 1.586 1.00 42.21 C ATOM 442 C ALA A 29 -3.856 11.396 2.317 1.00 32.54 C ATOM 443 O ALA A 29 -3.706 11.314 3.533 1.00 4.43 O ATOM 444 CB ALA A 29 -4.829 13.619 1.589 1.00 70.33 C ATOM 0 H ALA A 29 -3.729 12.986 -0.501 1.00 21.02 H new ATOM 0 HA ALA A 29 -2.776 13.222 2.141 1.00 42.21 H new ATOM 0 HB1 ALA A 29 -5.178 13.752 2.613 1.00 70.33 H new ATOM 0 HB2 ALA A 29 -4.590 14.591 1.158 1.00 70.33 H new ATOM 0 HB3 ALA A 29 -5.611 13.142 0.998 1.00 70.33 H new ATOM 450 N ILE A 30 -4.235 10.344 1.562 1.00 74.43 N ATOM 451 CA ILE A 30 -4.479 8.988 2.138 1.00 72.32 C ATOM 452 C ILE A 30 -3.148 8.306 2.564 1.00 61.31 C ATOM 453 O ILE A 30 -3.161 7.303 3.262 1.00 5.21 O ATOM 454 CB ILE A 30 -5.249 8.056 1.130 1.00 3.41 C ATOM 455 CG1 ILE A 30 -4.306 7.611 -0.028 1.00 42.23 C ATOM 456 CG2 ILE A 30 -6.518 8.760 0.594 1.00 44.31 C ATOM 457 CD1 ILE A 30 -4.943 6.819 -1.141 1.00 64.53 C ATOM 0 H ILE A 30 -4.381 10.398 0.554 1.00 74.43 H new ATOM 0 HA ILE A 30 -5.101 9.132 3.021 1.00 72.32 H new ATOM 0 HB ILE A 30 -5.572 7.159 1.659 1.00 3.41 H new ATOM 0 HG12 ILE A 30 -3.850 8.502 -0.460 1.00 42.23 H new ATOM 0 HG13 ILE A 30 -3.499 7.015 0.398 1.00 42.23 H new ATOM 0 HG21 ILE A 30 -7.035 8.098 -0.101 1.00 44.31 H new ATOM 0 HG22 ILE A 30 -7.180 9.001 1.426 1.00 44.31 H new ATOM 0 HG23 ILE A 30 -6.235 9.678 0.079 1.00 44.31 H new ATOM 0 HD11 ILE A 30 -4.189 6.567 -1.886 1.00 64.53 H new ATOM 0 HD12 ILE A 30 -5.373 5.903 -0.736 1.00 64.53 H new ATOM 0 HD13 ILE A 30 -5.729 7.413 -1.607 1.00 64.53 H new ATOM 469 N TRP A 31 -2.015 8.836 2.068 1.00 42.42 N ATOM 470 CA TRP A 31 -0.656 8.352 2.405 1.00 41.24 C ATOM 471 C TRP A 31 0.003 9.241 3.478 1.00 45.03 C ATOM 472 O TRP A 31 0.598 8.744 4.436 1.00 54.14 O ATOM 473 CB TRP A 31 0.224 8.344 1.123 1.00 72.33 C ATOM 474 CG TRP A 31 -0.318 7.457 0.024 1.00 15.11 C ATOM 475 CD1 TRP A 31 -0.931 7.841 -1.143 1.00 21.32 C ATOM 476 CD2 TRP A 31 -0.298 6.023 0.010 1.00 44.40 C ATOM 477 NE1 TRP A 31 -1.301 6.731 -1.862 1.00 63.21 N ATOM 478 CE2 TRP A 31 -0.918 5.605 -1.179 1.00 65.31 C ATOM 479 CE3 TRP A 31 0.189 5.053 0.896 1.00 5.42 C ATOM 480 CZ2 TRP A 31 -1.069 4.262 -1.503 1.00 64.30 C ATOM 481 CZ3 TRP A 31 0.042 3.722 0.572 1.00 42.43 C ATOM 482 CH2 TRP A 31 -0.577 3.334 -0.621 1.00 13.43 C ATOM 0 H TRP A 31 -2.013 9.620 1.415 1.00 42.42 H new ATOM 0 HA TRP A 31 -0.742 7.342 2.805 1.00 41.24 H new ATOM 0 HB2 TRP A 31 0.312 9.363 0.746 1.00 72.33 H new ATOM 0 HB3 TRP A 31 1.229 8.013 1.384 1.00 72.33 H new ATOM 0 HD1 TRP A 31 -1.097 8.863 -1.450 1.00 21.32 H new ATOM 0 HE1 TRP A 31 -1.784 6.742 -2.761 1.00 63.21 H new ATOM 0 HE3 TRP A 31 0.672 5.344 1.817 1.00 5.42 H new ATOM 0 HZ2 TRP A 31 -1.557 3.959 -2.418 1.00 64.30 H new ATOM 0 HZ3 TRP A 31 0.410 2.966 1.250 1.00 42.43 H new ATOM 0 HH2 TRP A 31 -0.669 2.283 -0.852 1.00 13.43 H new ATOM 493 N GLU A 32 -0.110 10.561 3.277 1.00 3.20 N ATOM 494 CA GLU A 32 0.563 11.588 4.094 1.00 31.24 C ATOM 495 C GLU A 32 -0.122 11.771 5.472 1.00 12.13 C ATOM 496 O GLU A 32 0.549 12.023 6.484 1.00 44.12 O ATOM 497 CB GLU A 32 0.583 12.919 3.288 1.00 73.51 C ATOM 498 CG GLU A 32 1.377 14.071 3.930 1.00 13.34 C ATOM 499 CD GLU A 32 1.381 15.360 3.079 1.00 63.32 C ATOM 500 OE1 GLU A 32 0.409 16.141 3.155 1.00 32.24 O ATOM 501 OE2 GLU A 32 2.348 15.595 2.319 1.00 0.44 O ATOM 0 H GLU A 32 -0.681 10.955 2.529 1.00 3.20 H new ATOM 0 HA GLU A 32 1.584 11.269 4.305 1.00 31.24 H new ATOM 0 HB2 GLU A 32 1.000 12.719 2.301 1.00 73.51 H new ATOM 0 HB3 GLU A 32 -0.445 13.249 3.139 1.00 73.51 H new ATOM 0 HG2 GLU A 32 0.954 14.292 4.910 1.00 13.34 H new ATOM 0 HG3 GLU A 32 2.405 13.748 4.092 1.00 13.34 H new ATOM 508 N ASP A 33 -1.463 11.649 5.498 1.00 2.35 N ATOM 509 CA ASP A 33 -2.258 11.741 6.738 1.00 61.35 C ATOM 510 C ASP A 33 -2.530 10.320 7.317 1.00 55.20 C ATOM 511 O ASP A 33 -3.147 9.483 6.641 1.00 11.14 O ATOM 512 CB ASP A 33 -3.581 12.496 6.468 1.00 1.33 C ATOM 513 CG ASP A 33 -4.364 12.795 7.752 1.00 44.02 C ATOM 514 OD1 ASP A 33 -3.993 13.750 8.472 1.00 74.05 O ATOM 515 OD2 ASP A 33 -5.320 12.060 8.072 1.00 64.44 O ATOM 0 H ASP A 33 -2.025 11.484 4.663 1.00 2.35 H new ATOM 0 HA ASP A 33 -1.691 12.302 7.481 1.00 61.35 H new ATOM 0 HB2 ASP A 33 -3.362 13.432 5.954 1.00 1.33 H new ATOM 0 HB3 ASP A 33 -4.203 11.903 5.798 1.00 1.33 H new ATOM 520 N PRO A 34 -2.068 10.027 8.584 1.00 75.32 N ATOM 521 CA PRO A 34 -2.224 8.682 9.219 1.00 34.12 C ATOM 522 C PRO A 34 -3.706 8.245 9.399 1.00 65.31 C ATOM 523 O PRO A 34 -4.031 7.058 9.293 1.00 23.31 O ATOM 524 CB PRO A 34 -1.529 8.843 10.599 1.00 63.13 C ATOM 525 CG PRO A 34 -0.630 10.037 10.444 1.00 61.32 C ATOM 526 CD PRO A 34 -1.348 10.964 9.496 1.00 51.22 C ATOM 0 HA PRO A 34 -1.791 7.902 8.593 1.00 34.12 H new ATOM 0 HB2 PRO A 34 -2.259 8.999 11.393 1.00 63.13 H new ATOM 0 HB3 PRO A 34 -0.959 7.951 10.861 1.00 63.13 H new ATOM 0 HG2 PRO A 34 -0.451 10.520 11.404 1.00 61.32 H new ATOM 0 HG3 PRO A 34 0.343 9.747 10.047 1.00 61.32 H new ATOM 0 HD2 PRO A 34 -2.038 11.623 10.023 1.00 51.22 H new ATOM 0 HD3 PRO A 34 -0.652 11.601 8.951 1.00 51.22 H new ATOM 534 N ARG A 35 -4.589 9.229 9.676 1.00 44.23 N ATOM 535 CA ARG A 35 -6.040 8.997 9.913 1.00 53.15 C ATOM 536 C ARG A 35 -6.761 8.588 8.602 1.00 43.04 C ATOM 537 O ARG A 35 -7.639 7.715 8.597 1.00 34.30 O ATOM 538 CB ARG A 35 -6.667 10.289 10.493 1.00 14.42 C ATOM 539 CG ARG A 35 -8.144 10.197 10.943 1.00 32.14 C ATOM 540 CD ARG A 35 -8.724 11.579 11.315 1.00 43.43 C ATOM 541 NE ARG A 35 -7.879 12.286 12.304 1.00 71.41 N ATOM 542 CZ ARG A 35 -7.305 13.468 12.134 1.00 63.11 C ATOM 543 NH1 ARG A 35 -7.442 14.137 11.029 1.00 62.03 N ATOM 544 NH2 ARG A 35 -6.576 13.963 13.083 1.00 41.51 N ATOM 0 H ARG A 35 -4.320 10.211 9.743 1.00 44.23 H new ATOM 0 HA ARG A 35 -6.159 8.178 10.623 1.00 53.15 H new ATOM 0 HB2 ARG A 35 -6.069 10.605 11.348 1.00 14.42 H new ATOM 0 HB3 ARG A 35 -6.588 11.074 9.741 1.00 14.42 H new ATOM 0 HG2 ARG A 35 -8.740 9.758 10.143 1.00 32.14 H new ATOM 0 HG3 ARG A 35 -8.220 9.529 11.801 1.00 32.14 H new ATOM 0 HD2 ARG A 35 -8.816 12.188 10.416 1.00 43.43 H new ATOM 0 HD3 ARG A 35 -9.728 11.454 11.720 1.00 43.43 H new ATOM 0 HE ARG A 35 -7.725 11.820 13.198 1.00 71.41 H new ATOM 0 HH11 ARG A 35 -8.002 13.754 10.267 1.00 62.03 H new ATOM 0 HH12 ARG A 35 -6.990 15.045 10.923 1.00 62.03 H new ATOM 0 HH21 ARG A 35 -6.448 13.444 13.951 1.00 41.51 H new ATOM 0 HH22 ARG A 35 -6.130 14.872 12.962 1.00 41.51 H new ATOM 558 N GLN A 36 -6.371 9.233 7.494 1.00 32.12 N ATOM 559 CA GLN A 36 -6.891 8.916 6.145 1.00 65.00 C ATOM 560 C GLN A 36 -6.305 7.600 5.597 1.00 21.22 C ATOM 561 O GLN A 36 -6.904 6.992 4.718 1.00 55.33 O ATOM 562 CB GLN A 36 -6.620 10.087 5.167 1.00 1.23 C ATOM 563 CG GLN A 36 -7.459 11.345 5.452 1.00 4.40 C ATOM 564 CD GLN A 36 -7.172 12.471 4.464 1.00 75.45 C ATOM 565 OE1 GLN A 36 -6.345 13.335 4.705 1.00 75.10 O ATOM 566 NE2 GLN A 36 -7.828 12.437 3.324 1.00 43.21 N ATOM 0 H GLN A 36 -5.687 9.990 7.501 1.00 32.12 H new ATOM 0 HA GLN A 36 -7.969 8.778 6.234 1.00 65.00 H new ATOM 0 HB2 GLN A 36 -5.563 10.349 5.214 1.00 1.23 H new ATOM 0 HB3 GLN A 36 -6.821 9.751 4.150 1.00 1.23 H new ATOM 0 HG2 GLN A 36 -8.518 11.090 5.410 1.00 4.40 H new ATOM 0 HG3 GLN A 36 -7.255 11.693 6.465 1.00 4.40 H new ATOM 0 HE21 GLN A 36 -8.514 11.702 3.152 1.00 43.21 H new ATOM 0 HE22 GLN A 36 -7.651 13.146 2.612 1.00 43.21 H new ATOM 575 N LEU A 37 -5.137 7.186 6.112 1.00 71.13 N ATOM 576 CA LEU A 37 -4.497 5.905 5.738 1.00 64.22 C ATOM 577 C LEU A 37 -5.202 4.695 6.392 1.00 72.33 C ATOM 578 O LEU A 37 -5.592 3.748 5.705 1.00 62.02 O ATOM 579 CB LEU A 37 -3.002 5.941 6.151 1.00 72.41 C ATOM 580 CG LEU A 37 -2.163 4.649 5.871 1.00 71.51 C ATOM 581 CD1 LEU A 37 -2.058 4.328 4.363 1.00 71.41 C ATOM 582 CD2 LEU A 37 -0.775 4.766 6.510 1.00 2.35 C ATOM 0 H LEU A 37 -4.607 7.724 6.798 1.00 71.13 H new ATOM 0 HA LEU A 37 -4.583 5.784 4.658 1.00 64.22 H new ATOM 0 HB2 LEU A 37 -2.526 6.774 5.634 1.00 72.41 H new ATOM 0 HB3 LEU A 37 -2.949 6.156 7.218 1.00 72.41 H new ATOM 0 HG LEU A 37 -2.691 3.813 6.329 1.00 71.51 H new ATOM 0 HD11 LEU A 37 -1.466 3.423 4.224 1.00 71.41 H new ATOM 0 HD12 LEU A 37 -3.056 4.175 3.953 1.00 71.41 H new ATOM 0 HD13 LEU A 37 -1.577 5.159 3.847 1.00 71.41 H new ATOM 0 HD21 LEU A 37 -0.203 3.860 6.307 1.00 2.35 H new ATOM 0 HD22 LEU A 37 -0.253 5.626 6.091 1.00 2.35 H new ATOM 0 HD23 LEU A 37 -0.880 4.895 7.587 1.00 2.35 H new ATOM 594 N GLU A 38 -5.402 4.760 7.720 1.00 33.10 N ATOM 595 CA GLU A 38 -5.900 3.615 8.526 1.00 11.51 C ATOM 596 C GLU A 38 -7.359 3.183 8.178 1.00 70.12 C ATOM 597 O GLU A 38 -7.755 2.043 8.444 1.00 50.21 O ATOM 598 CB GLU A 38 -5.724 3.948 10.039 1.00 23.43 C ATOM 599 CG GLU A 38 -6.444 5.219 10.565 1.00 32.20 C ATOM 600 CD GLU A 38 -7.920 5.011 10.961 1.00 14.21 C ATOM 601 OE1 GLU A 38 -8.175 4.402 12.023 1.00 70.12 O ATOM 602 OE2 GLU A 38 -8.822 5.473 10.238 1.00 53.43 O ATOM 0 H GLU A 38 -5.226 5.601 8.270 1.00 33.10 H new ATOM 0 HA GLU A 38 -5.299 2.742 8.273 1.00 11.51 H new ATOM 0 HB2 GLU A 38 -6.076 3.094 10.618 1.00 23.43 H new ATOM 0 HB3 GLU A 38 -4.658 4.053 10.242 1.00 23.43 H new ATOM 0 HG2 GLU A 38 -5.900 5.595 11.431 1.00 32.20 H new ATOM 0 HG3 GLU A 38 -6.394 5.991 9.797 1.00 32.20 H new ATOM 609 N ARG A 39 -8.130 4.098 7.551 1.00 5.53 N ATOM 610 CA ARG A 39 -9.563 3.868 7.202 1.00 24.12 C ATOM 611 C ARG A 39 -9.761 3.080 5.878 1.00 20.21 C ATOM 612 O ARG A 39 -10.904 2.882 5.436 1.00 31.10 O ATOM 613 CB ARG A 39 -10.308 5.230 7.142 1.00 11.34 C ATOM 614 CG ARG A 39 -9.874 6.177 6.002 1.00 4.11 C ATOM 615 CD ARG A 39 -10.514 7.576 6.128 1.00 11.34 C ATOM 616 NE ARG A 39 -11.991 7.521 6.234 1.00 14.53 N ATOM 617 CZ ARG A 39 -12.731 8.264 7.039 1.00 15.21 C ATOM 618 NH1 ARG A 39 -12.208 9.154 7.819 1.00 71.32 N ATOM 619 NH2 ARG A 39 -14.008 8.099 7.059 1.00 10.41 N ATOM 0 H ARG A 39 -7.785 5.016 7.270 1.00 5.53 H new ATOM 0 HA ARG A 39 -9.985 3.242 7.988 1.00 24.12 H new ATOM 0 HB2 ARG A 39 -11.376 5.036 7.042 1.00 11.34 H new ATOM 0 HB3 ARG A 39 -10.165 5.745 8.092 1.00 11.34 H new ATOM 0 HG2 ARG A 39 -8.788 6.275 6.007 1.00 4.11 H new ATOM 0 HG3 ARG A 39 -10.150 5.738 5.043 1.00 4.11 H new ATOM 0 HD2 ARG A 39 -10.109 8.079 7.006 1.00 11.34 H new ATOM 0 HD3 ARG A 39 -10.238 8.177 5.261 1.00 11.34 H new ATOM 0 HE ARG A 39 -12.478 6.854 5.635 1.00 14.53 H new ATOM 0 HH11 ARG A 39 -11.198 9.298 7.824 1.00 71.32 H new ATOM 0 HH12 ARG A 39 -12.806 9.712 8.429 1.00 71.32 H new ATOM 0 HH21 ARG A 39 -14.441 7.399 6.457 1.00 10.41 H new ATOM 0 HH22 ARG A 39 -14.586 8.668 7.677 1.00 10.41 H new ATOM 633 N TRP A 40 -8.656 2.648 5.242 1.00 60.13 N ATOM 634 CA TRP A 40 -8.702 1.786 4.032 1.00 65.41 C ATOM 635 C TRP A 40 -7.555 0.747 4.019 1.00 73.40 C ATOM 636 O TRP A 40 -7.686 -0.294 3.374 1.00 43.44 O ATOM 637 CB TRP A 40 -8.664 2.645 2.734 1.00 74.34 C ATOM 638 CG TRP A 40 -7.363 3.389 2.509 1.00 62.23 C ATOM 639 CD1 TRP A 40 -7.047 4.644 2.934 1.00 64.51 C ATOM 640 CD2 TRP A 40 -6.208 2.913 1.798 1.00 51.01 C ATOM 641 NE1 TRP A 40 -5.770 4.970 2.548 1.00 61.22 N ATOM 642 CE2 TRP A 40 -5.240 3.928 1.840 1.00 53.33 C ATOM 643 CE3 TRP A 40 -5.907 1.721 1.131 1.00 72.24 C ATOM 644 CZ2 TRP A 40 -3.995 3.790 1.237 1.00 14.34 C ATOM 645 CZ3 TRP A 40 -4.677 1.582 0.534 1.00 2.21 C ATOM 646 CH2 TRP A 40 -3.734 2.612 0.591 1.00 3.23 C ATOM 0 H TRP A 40 -7.710 2.881 5.544 1.00 60.13 H new ATOM 0 HA TRP A 40 -9.645 1.241 4.065 1.00 65.41 H new ATOM 0 HB2 TRP A 40 -8.849 1.995 1.878 1.00 74.34 H new ATOM 0 HB3 TRP A 40 -9.480 3.367 2.768 1.00 74.34 H new ATOM 0 HD1 TRP A 40 -7.706 5.290 3.494 1.00 64.51 H new ATOM 0 HE1 TRP A 40 -5.294 5.848 2.756 1.00 61.22 H new ATOM 0 HE3 TRP A 40 -6.631 0.921 1.086 1.00 72.24 H new ATOM 0 HZ2 TRP A 40 -3.262 4.582 1.277 1.00 14.34 H new ATOM 0 HZ3 TRP A 40 -4.436 0.666 0.015 1.00 2.21 H new ATOM 0 HH2 TRP A 40 -2.775 2.475 0.113 1.00 3.23 H new ATOM 657 N TRP A 41 -6.427 1.071 4.712 1.00 53.04 N ATOM 658 CA TRP A 41 -5.174 0.257 4.700 1.00 64.20 C ATOM 659 C TRP A 41 -5.440 -1.220 5.068 1.00 1.45 C ATOM 660 O TRP A 41 -4.873 -2.144 4.477 1.00 15.53 O ATOM 661 CB TRP A 41 -4.131 0.879 5.670 1.00 41.21 C ATOM 662 CG TRP A 41 -2.749 0.273 5.568 1.00 62.54 C ATOM 663 CD1 TRP A 41 -2.061 -0.432 6.524 1.00 44.15 C ATOM 664 CD2 TRP A 41 -1.903 0.302 4.414 1.00 41.44 C ATOM 665 NE1 TRP A 41 -0.837 -0.807 6.036 1.00 61.53 N ATOM 666 CE2 TRP A 41 -0.724 -0.377 4.739 1.00 44.00 C ATOM 667 CE3 TRP A 41 -2.039 0.841 3.133 1.00 62.12 C ATOM 668 CZ2 TRP A 41 0.317 -0.523 3.830 1.00 51.51 C ATOM 669 CZ3 TRP A 41 -1.012 0.695 2.233 1.00 30.42 C ATOM 670 CH2 TRP A 41 0.153 0.014 2.582 1.00 4.32 C ATOM 0 H TRP A 41 -6.360 1.905 5.296 1.00 53.04 H new ATOM 0 HA TRP A 41 -4.778 0.270 3.685 1.00 64.20 H new ATOM 0 HB2 TRP A 41 -4.062 1.949 5.473 1.00 41.21 H new ATOM 0 HB3 TRP A 41 -4.490 0.766 6.693 1.00 41.21 H new ATOM 0 HD1 TRP A 41 -2.430 -0.658 7.514 1.00 44.15 H new ATOM 0 HE1 TRP A 41 -0.125 -1.323 6.554 1.00 61.53 H new ATOM 0 HE3 TRP A 41 -2.940 1.366 2.854 1.00 62.12 H new ATOM 0 HZ2 TRP A 41 1.225 -1.043 4.099 1.00 51.51 H new ATOM 0 HZ3 TRP A 41 -1.108 1.113 1.242 1.00 30.42 H new ATOM 0 HH2 TRP A 41 0.942 -0.092 1.853 1.00 4.32 H new ATOM 681 N GLY A 42 -6.308 -1.407 6.067 1.00 62.43 N ATOM 682 CA GLY A 42 -6.855 -2.719 6.400 1.00 33.23 C ATOM 683 C GLY A 42 -8.270 -2.917 5.819 1.00 60.02 C ATOM 684 O GLY A 42 -9.028 -1.940 5.722 1.00 44.44 O ATOM 0 H GLY A 42 -6.648 -0.653 6.664 1.00 62.43 H new ATOM 0 HA2 GLY A 42 -6.193 -3.496 6.017 1.00 33.23 H new ATOM 0 HA3 GLY A 42 -6.888 -2.834 7.483 1.00 33.23 H new ATOM 688 N PRO A 43 -8.667 -4.176 5.436 1.00 40.24 N ATOM 689 CA PRO A 43 -10.032 -4.475 4.889 1.00 60.24 C ATOM 690 C PRO A 43 -11.186 -4.166 5.903 1.00 65.34 C ATOM 691 O PRO A 43 -10.919 -3.977 7.096 1.00 33.11 O ATOM 692 CB PRO A 43 -9.945 -5.995 4.542 1.00 12.04 C ATOM 693 CG PRO A 43 -8.836 -6.522 5.398 1.00 54.14 C ATOM 694 CD PRO A 43 -7.822 -5.399 5.488 1.00 4.34 C ATOM 0 HA PRO A 43 -10.280 -3.849 4.032 1.00 60.24 H new ATOM 0 HB2 PRO A 43 -10.885 -6.504 4.756 1.00 12.04 H new ATOM 0 HB3 PRO A 43 -9.734 -6.147 3.484 1.00 12.04 H new ATOM 0 HG2 PRO A 43 -9.202 -6.800 6.386 1.00 54.14 H new ATOM 0 HG3 PRO A 43 -8.393 -7.416 4.959 1.00 54.14 H new ATOM 0 HD2 PRO A 43 -7.244 -5.451 6.411 1.00 4.34 H new ATOM 0 HD3 PRO A 43 -7.110 -5.432 4.664 1.00 4.34 H new ATOM 702 N PRO A 44 -12.498 -4.107 5.449 1.00 33.05 N ATOM 703 CA PRO A 44 -13.661 -3.745 6.336 1.00 33.52 C ATOM 704 C PRO A 44 -13.802 -4.631 7.619 1.00 31.34 C ATOM 705 O PRO A 44 -14.405 -4.209 8.610 1.00 31.13 O ATOM 706 CB PRO A 44 -14.899 -3.899 5.392 1.00 3.31 C ATOM 707 CG PRO A 44 -14.411 -4.741 4.246 1.00 64.21 C ATOM 708 CD PRO A 44 -12.963 -4.347 4.050 1.00 33.44 C ATOM 0 HA PRO A 44 -13.540 -2.743 6.749 1.00 33.52 H new ATOM 0 HB2 PRO A 44 -15.731 -4.378 5.907 1.00 3.31 H new ATOM 0 HB3 PRO A 44 -15.255 -2.929 5.046 1.00 3.31 H new ATOM 0 HG2 PRO A 44 -14.503 -5.803 4.472 1.00 64.21 H new ATOM 0 HG3 PRO A 44 -14.995 -4.555 3.345 1.00 64.21 H new ATOM 0 HD2 PRO A 44 -12.391 -5.136 3.562 1.00 33.44 H new ATOM 0 HD3 PRO A 44 -12.866 -3.454 3.432 1.00 33.44 H new ATOM 716 N THR A 45 -13.236 -5.852 7.582 1.00 43.12 N ATOM 717 CA THR A 45 -13.230 -6.794 8.735 1.00 22.51 C ATOM 718 C THR A 45 -11.956 -6.646 9.611 1.00 31.54 C ATOM 719 O THR A 45 -11.988 -6.943 10.809 1.00 51.41 O ATOM 720 CB THR A 45 -13.341 -8.269 8.239 1.00 44.12 C ATOM 721 OG1 THR A 45 -12.276 -8.545 7.317 1.00 20.21 O ATOM 722 CG2 THR A 45 -14.695 -8.547 7.554 1.00 34.10 C ATOM 0 H THR A 45 -12.768 -6.221 6.754 1.00 43.12 H new ATOM 0 HA THR A 45 -14.095 -6.542 9.348 1.00 22.51 H new ATOM 0 HB THR A 45 -13.268 -8.919 9.111 1.00 44.12 H new ATOM 0 HG1 THR A 45 -12.344 -9.472 7.006 1.00 20.21 H new ATOM 0 HG21 THR A 45 -14.729 -9.585 7.224 1.00 34.10 H new ATOM 0 HG22 THR A 45 -15.505 -8.364 8.260 1.00 34.10 H new ATOM 0 HG23 THR A 45 -14.809 -7.889 6.693 1.00 34.10 H new ATOM 730 N TRP A 46 -10.836 -6.191 9.008 1.00 32.31 N ATOM 731 CA TRP A 46 -9.534 -5.993 9.716 1.00 12.25 C ATOM 732 C TRP A 46 -9.050 -4.508 9.620 1.00 74.52 C ATOM 733 O TRP A 46 -8.114 -4.219 8.869 1.00 33.13 O ATOM 734 CB TRP A 46 -8.442 -6.941 9.119 1.00 31.13 C ATOM 735 CG TRP A 46 -8.650 -8.418 9.362 1.00 24.30 C ATOM 736 CD1 TRP A 46 -9.582 -9.238 8.791 1.00 23.22 C ATOM 737 CD2 TRP A 46 -7.869 -9.252 10.223 1.00 2.34 C ATOM 738 NE1 TRP A 46 -9.463 -10.508 9.292 1.00 44.23 N ATOM 739 CE2 TRP A 46 -8.413 -10.545 10.165 1.00 51.51 C ATOM 740 CE3 TRP A 46 -6.776 -9.021 11.050 1.00 52.13 C ATOM 741 CZ2 TRP A 46 -7.903 -11.603 10.903 1.00 73.05 C ATOM 742 CZ3 TRP A 46 -6.263 -10.072 11.780 1.00 2.41 C ATOM 743 CH2 TRP A 46 -6.827 -11.350 11.707 1.00 44.04 C ATOM 0 H TRP A 46 -10.800 -5.948 8.018 1.00 32.31 H new ATOM 0 HA TRP A 46 -9.691 -6.235 10.767 1.00 12.25 H new ATOM 0 HB2 TRP A 46 -8.390 -6.773 8.043 1.00 31.13 H new ATOM 0 HB3 TRP A 46 -7.475 -6.656 9.533 1.00 31.13 H new ATOM 0 HD1 TRP A 46 -10.307 -8.930 8.052 1.00 23.22 H new ATOM 0 HE1 TRP A 46 -10.062 -11.298 9.052 1.00 44.23 H new ATOM 0 HE3 TRP A 46 -6.337 -8.037 11.119 1.00 52.13 H new ATOM 0 HZ2 TRP A 46 -8.340 -12.589 10.845 1.00 73.05 H new ATOM 0 HZ3 TRP A 46 -5.409 -9.905 12.420 1.00 2.41 H new ATOM 0 HH2 TRP A 46 -6.405 -12.151 12.296 1.00 44.04 H new ATOM 754 N PRO A 47 -9.688 -3.529 10.352 1.00 41.24 N ATOM 755 CA PRO A 47 -9.241 -2.104 10.347 1.00 44.13 C ATOM 756 C PRO A 47 -7.809 -1.911 10.928 1.00 13.13 C ATOM 757 O PRO A 47 -7.520 -2.323 12.061 1.00 3.10 O ATOM 758 CB PRO A 47 -10.309 -1.386 11.222 1.00 10.03 C ATOM 759 CG PRO A 47 -10.890 -2.476 12.076 1.00 71.22 C ATOM 760 CD PRO A 47 -10.898 -3.708 11.198 1.00 20.14 C ATOM 0 HA PRO A 47 -9.170 -1.706 9.335 1.00 44.13 H new ATOM 0 HB2 PRO A 47 -9.861 -0.601 11.831 1.00 10.03 H new ATOM 0 HB3 PRO A 47 -11.074 -0.914 10.606 1.00 10.03 H new ATOM 0 HG2 PRO A 47 -10.291 -2.635 12.972 1.00 71.22 H new ATOM 0 HG3 PRO A 47 -11.897 -2.222 12.407 1.00 71.22 H new ATOM 0 HD2 PRO A 47 -10.845 -4.623 11.788 1.00 20.14 H new ATOM 0 HD3 PRO A 47 -11.805 -3.768 10.596 1.00 20.14 H new ATOM 768 N ALA A 48 -6.923 -1.281 10.133 1.00 2.20 N ATOM 769 CA ALA A 48 -5.521 -1.035 10.523 1.00 35.12 C ATOM 770 C ALA A 48 -5.430 0.059 11.616 1.00 1.41 C ATOM 771 O ALA A 48 -5.898 1.172 11.423 1.00 24.11 O ATOM 772 CB ALA A 48 -4.693 -0.649 9.288 1.00 13.45 C ATOM 0 H ALA A 48 -7.158 -0.929 9.205 1.00 2.20 H new ATOM 0 HA ALA A 48 -5.112 -1.953 10.944 1.00 35.12 H new ATOM 0 HB1 ALA A 48 -3.660 -0.469 9.584 1.00 13.45 H new ATOM 0 HB2 ALA A 48 -4.726 -1.460 8.560 1.00 13.45 H new ATOM 0 HB3 ALA A 48 -5.105 0.256 8.842 1.00 13.45 H new ATOM 778 N THR A 49 -4.848 -0.287 12.771 1.00 14.43 N ATOM 779 CA THR A 49 -4.690 0.632 13.924 1.00 72.33 C ATOM 780 C THR A 49 -3.214 1.070 14.057 1.00 53.30 C ATOM 781 O THR A 49 -2.365 0.277 14.477 1.00 2.31 O ATOM 782 CB THR A 49 -5.177 -0.058 15.248 1.00 64.30 C ATOM 783 OG1 THR A 49 -6.528 -0.536 15.086 1.00 14.13 O ATOM 784 CG2 THR A 49 -5.128 0.888 16.463 1.00 44.41 C ATOM 0 H THR A 49 -4.468 -1.218 12.941 1.00 14.43 H new ATOM 0 HA THR A 49 -5.304 1.516 13.751 1.00 72.33 H new ATOM 0 HB THR A 49 -4.495 -0.886 15.439 1.00 64.30 H new ATOM 0 HG1 THR A 49 -6.600 -1.442 15.452 1.00 14.13 H new ATOM 0 HG21 THR A 49 -5.475 0.359 17.350 1.00 44.41 H new ATOM 0 HG22 THR A 49 -4.104 1.226 16.620 1.00 44.41 H new ATOM 0 HG23 THR A 49 -5.770 1.749 16.280 1.00 44.41 H new ATOM 792 N PHE A 50 -2.911 2.327 13.668 1.00 64.54 N ATOM 793 CA PHE A 50 -1.533 2.875 13.703 1.00 53.23 C ATOM 794 C PHE A 50 -1.200 3.507 15.078 1.00 3.42 C ATOM 795 O PHE A 50 -1.849 4.463 15.515 1.00 43.30 O ATOM 796 CB PHE A 50 -1.318 3.906 12.551 1.00 3.44 C ATOM 797 CG PHE A 50 -1.102 3.260 11.182 1.00 45.22 C ATOM 798 CD1 PHE A 50 -2.164 2.690 10.477 1.00 64.32 C ATOM 799 CD2 PHE A 50 0.175 3.195 10.612 1.00 13.15 C ATOM 800 CE1 PHE A 50 -1.962 2.087 9.252 1.00 13.54 C ATOM 801 CE2 PHE A 50 0.375 2.593 9.384 1.00 13.12 C ATOM 802 CZ PHE A 50 -0.691 2.035 8.708 1.00 75.45 C ATOM 0 H PHE A 50 -3.607 2.988 13.323 1.00 64.54 H new ATOM 0 HA PHE A 50 -0.846 2.042 13.553 1.00 53.23 H new ATOM 0 HB2 PHE A 50 -2.184 4.566 12.499 1.00 3.44 H new ATOM 0 HB3 PHE A 50 -0.456 4.529 12.789 1.00 3.44 H new ATOM 0 HD1 PHE A 50 -3.159 2.721 10.897 1.00 64.32 H new ATOM 0 HD2 PHE A 50 1.016 3.621 11.139 1.00 13.15 H new ATOM 0 HE1 PHE A 50 -2.796 1.656 8.718 1.00 13.54 H new ATOM 0 HE2 PHE A 50 1.365 2.559 8.954 1.00 13.12 H new ATOM 0 HZ PHE A 50 -0.533 1.557 7.753 1.00 75.45 H new ATOM 812 N GLU A 51 -0.187 2.934 15.751 1.00 63.34 N ATOM 813 CA GLU A 51 0.415 3.493 16.982 1.00 13.42 C ATOM 814 C GLU A 51 1.335 4.695 16.656 1.00 55.32 C ATOM 815 O GLU A 51 1.422 5.650 17.437 1.00 72.34 O ATOM 816 CB GLU A 51 1.219 2.384 17.711 1.00 42.23 C ATOM 817 CG GLU A 51 0.385 1.149 18.110 1.00 42.13 C ATOM 818 CD GLU A 51 -0.788 1.485 19.054 1.00 74.42 C ATOM 819 OE1 GLU A 51 -0.542 1.700 20.264 1.00 53.32 O ATOM 820 OE2 GLU A 51 -1.953 1.534 18.596 1.00 31.32 O ATOM 0 H GLU A 51 0.245 2.059 15.455 1.00 63.34 H new ATOM 0 HA GLU A 51 -0.384 3.851 17.631 1.00 13.42 H new ATOM 0 HB2 GLU A 51 2.037 2.062 17.066 1.00 42.23 H new ATOM 0 HB3 GLU A 51 1.669 2.809 18.608 1.00 42.23 H new ATOM 0 HG2 GLU A 51 -0.006 0.677 17.209 1.00 42.13 H new ATOM 0 HG3 GLU A 51 1.035 0.421 18.595 1.00 42.13 H new ATOM 827 N THR A 52 2.031 4.617 15.503 1.00 52.12 N ATOM 828 CA THR A 52 2.859 5.724 14.976 1.00 42.22 C ATOM 829 C THR A 52 2.881 5.694 13.435 1.00 12.43 C ATOM 830 O THR A 52 2.662 4.641 12.827 1.00 3.23 O ATOM 831 CB THR A 52 4.335 5.694 15.529 1.00 63.12 C ATOM 832 OG1 THR A 52 5.041 6.888 15.151 1.00 52.43 O ATOM 833 CG2 THR A 52 5.142 4.473 15.053 1.00 53.44 C ATOM 0 H THR A 52 2.036 3.786 14.911 1.00 52.12 H new ATOM 0 HA THR A 52 2.399 6.650 15.321 1.00 42.22 H new ATOM 0 HB THR A 52 4.242 5.628 16.613 1.00 63.12 H new ATOM 0 HG1 THR A 52 5.955 6.853 15.504 1.00 52.43 H new ATOM 0 HG21 THR A 52 6.148 4.516 15.471 1.00 53.44 H new ATOM 0 HG22 THR A 52 4.650 3.559 15.386 1.00 53.44 H new ATOM 0 HG23 THR A 52 5.201 4.478 13.965 1.00 53.44 H new ATOM 841 N HIS A 53 3.129 6.860 12.826 1.00 55.11 N ATOM 842 CA HIS A 53 3.270 7.019 11.367 1.00 0.20 C ATOM 843 C HIS A 53 4.081 8.308 11.093 1.00 31.45 C ATOM 844 O HIS A 53 3.525 9.410 11.056 1.00 4.41 O ATOM 845 CB HIS A 53 1.867 7.049 10.697 1.00 23.44 C ATOM 846 CG HIS A 53 1.874 7.235 9.198 1.00 55.04 C ATOM 847 ND1 HIS A 53 1.751 8.480 8.634 1.00 40.34 N ATOM 848 CD2 HIS A 53 1.948 6.317 8.206 1.00 44.12 C ATOM 849 CE1 HIS A 53 1.750 8.297 7.336 1.00 11.53 C ATOM 850 NE2 HIS A 53 1.869 7.002 7.021 1.00 44.43 N ATOM 0 H HIS A 53 3.240 7.735 13.338 1.00 55.11 H new ATOM 0 HA HIS A 53 3.807 6.175 10.934 1.00 0.20 H new ATOM 0 HB2 HIS A 53 1.351 6.117 10.929 1.00 23.44 H new ATOM 0 HB3 HIS A 53 1.286 7.855 11.144 1.00 23.44 H new ATOM 0 HD2 HIS A 53 2.050 5.248 8.325 1.00 44.12 H new ATOM 0 HE1 HIS A 53 1.664 9.093 6.611 1.00 11.53 H new ATOM 0 HE2 HIS A 53 1.896 6.603 6.083 1.00 44.43 H new ATOM 858 N GLU A 54 5.414 8.152 10.978 1.00 72.42 N ATOM 859 CA GLU A 54 6.374 9.279 10.838 1.00 11.53 C ATOM 860 C GLU A 54 6.182 10.051 9.508 1.00 72.34 C ATOM 861 O GLU A 54 6.179 11.290 9.490 1.00 1.33 O ATOM 862 CB GLU A 54 7.829 8.728 10.919 1.00 33.21 C ATOM 863 CG GLU A 54 8.195 8.034 12.251 1.00 24.04 C ATOM 864 CD GLU A 54 8.370 9.009 13.430 1.00 24.55 C ATOM 865 OE1 GLU A 54 7.367 9.349 14.098 1.00 32.53 O ATOM 866 OE2 GLU A 54 9.515 9.433 13.696 1.00 35.30 O ATOM 0 H GLU A 54 5.864 7.237 10.979 1.00 72.42 H new ATOM 0 HA GLU A 54 6.186 9.980 11.651 1.00 11.53 H new ATOM 0 HB2 GLU A 54 7.978 8.019 10.105 1.00 33.21 H new ATOM 0 HB3 GLU A 54 8.523 9.552 10.754 1.00 33.21 H new ATOM 0 HG2 GLU A 54 7.417 7.313 12.500 1.00 24.04 H new ATOM 0 HG3 GLU A 54 9.119 7.472 12.116 1.00 24.04 H new ATOM 873 N PHE A 55 6.025 9.274 8.416 1.00 31.32 N ATOM 874 CA PHE A 55 5.984 9.764 7.018 1.00 3.02 C ATOM 875 C PHE A 55 7.198 10.677 6.701 1.00 64.23 C ATOM 876 O PHE A 55 7.073 11.901 6.562 1.00 64.34 O ATOM 877 CB PHE A 55 4.625 10.441 6.664 1.00 74.11 C ATOM 878 CG PHE A 55 4.324 10.447 5.162 1.00 23.32 C ATOM 879 CD1 PHE A 55 3.889 9.284 4.527 1.00 10.33 C ATOM 880 CD2 PHE A 55 4.489 11.592 4.384 1.00 51.12 C ATOM 881 CE1 PHE A 55 3.625 9.264 3.171 1.00 65.42 C ATOM 882 CE2 PHE A 55 4.221 11.570 3.025 1.00 71.14 C ATOM 883 CZ PHE A 55 3.789 10.404 2.422 1.00 10.31 C ATOM 0 H PHE A 55 5.920 8.262 8.482 1.00 31.32 H new ATOM 0 HA PHE A 55 6.062 8.890 6.371 1.00 3.02 H new ATOM 0 HB2 PHE A 55 3.821 9.922 7.186 1.00 74.11 H new ATOM 0 HB3 PHE A 55 4.632 11.468 7.030 1.00 74.11 H new ATOM 0 HD1 PHE A 55 3.756 8.382 5.106 1.00 10.33 H new ATOM 0 HD2 PHE A 55 4.830 12.507 4.846 1.00 51.12 H new ATOM 0 HE1 PHE A 55 3.290 8.352 2.700 1.00 65.42 H new ATOM 0 HE2 PHE A 55 4.350 12.466 2.436 1.00 71.14 H new ATOM 0 HZ PHE A 55 3.580 10.389 1.362 1.00 10.31 H new ATOM 893 N THR A 56 8.386 10.053 6.637 1.00 35.53 N ATOM 894 CA THR A 56 9.665 10.752 6.360 1.00 61.11 C ATOM 895 C THR A 56 10.686 9.796 5.702 1.00 53.05 C ATOM 896 O THR A 56 10.508 8.574 5.725 1.00 1.03 O ATOM 897 CB THR A 56 10.278 11.378 7.661 1.00 12.32 C ATOM 898 OG1 THR A 56 11.518 12.047 7.365 1.00 11.22 O ATOM 899 CG2 THR A 56 10.521 10.333 8.759 1.00 43.23 C ATOM 0 H THR A 56 8.493 9.048 6.775 1.00 35.53 H new ATOM 0 HA THR A 56 9.443 11.563 5.666 1.00 61.11 H new ATOM 0 HB THR A 56 9.546 12.094 8.033 1.00 12.32 H new ATOM 0 HG1 THR A 56 11.886 12.433 8.187 1.00 11.22 H new ATOM 0 HG21 THR A 56 10.946 10.820 9.637 1.00 43.23 H new ATOM 0 HG22 THR A 56 9.576 9.861 9.028 1.00 43.23 H new ATOM 0 HG23 THR A 56 11.214 9.575 8.393 1.00 43.23 H new ATOM 907 N VAL A 57 11.749 10.374 5.117 1.00 73.22 N ATOM 908 CA VAL A 57 12.835 9.611 4.454 1.00 4.23 C ATOM 909 C VAL A 57 13.630 8.783 5.504 1.00 62.31 C ATOM 910 O VAL A 57 14.372 9.346 6.321 1.00 64.31 O ATOM 911 CB VAL A 57 13.800 10.580 3.666 1.00 64.44 C ATOM 912 CG1 VAL A 57 14.930 9.808 2.932 1.00 23.11 C ATOM 913 CG2 VAL A 57 12.996 11.475 2.685 1.00 50.34 C ATOM 0 H VAL A 57 11.885 11.384 5.087 1.00 73.22 H new ATOM 0 HA VAL A 57 12.385 8.924 3.737 1.00 4.23 H new ATOM 0 HB VAL A 57 14.285 11.226 4.398 1.00 64.44 H new ATOM 0 HG11 VAL A 57 15.570 10.515 2.403 1.00 23.11 H new ATOM 0 HG12 VAL A 57 15.524 9.255 3.659 1.00 23.11 H new ATOM 0 HG13 VAL A 57 14.490 9.112 2.218 1.00 23.11 H new ATOM 0 HG21 VAL A 57 13.680 12.136 2.152 1.00 50.34 H new ATOM 0 HG22 VAL A 57 12.467 10.846 1.969 1.00 50.34 H new ATOM 0 HG23 VAL A 57 12.276 12.073 3.244 1.00 50.34 H new ATOM 923 N GLY A 58 13.433 7.451 5.494 1.00 14.15 N ATOM 924 CA GLY A 58 14.054 6.551 6.484 1.00 4.23 C ATOM 925 C GLY A 58 13.244 6.402 7.783 1.00 33.31 C ATOM 926 O GLY A 58 13.754 5.870 8.779 1.00 70.43 O ATOM 0 H GLY A 58 12.847 6.974 4.809 1.00 14.15 H new ATOM 0 HA2 GLY A 58 14.185 5.567 6.034 1.00 4.23 H new ATOM 0 HA3 GLY A 58 15.048 6.925 6.728 1.00 4.23 H new ATOM 930 N GLY A 59 11.986 6.882 7.773 1.00 63.21 N ATOM 931 CA GLY A 59 11.081 6.760 8.928 1.00 22.20 C ATOM 932 C GLY A 59 10.199 5.515 8.878 1.00 60.32 C ATOM 933 O GLY A 59 10.100 4.867 7.835 1.00 11.14 O ATOM 0 H GLY A 59 11.573 7.360 6.972 1.00 63.21 H new ATOM 0 HA2 GLY A 59 11.673 6.741 9.843 1.00 22.20 H new ATOM 0 HA3 GLY A 59 10.446 7.644 8.978 1.00 22.20 H new ATOM 937 N LYS A 60 9.544 5.184 10.005 1.00 45.43 N ATOM 938 CA LYS A 60 8.686 3.980 10.117 1.00 25.21 C ATOM 939 C LYS A 60 7.240 4.301 10.559 1.00 73.20 C ATOM 940 O LYS A 60 6.891 5.438 10.882 1.00 2.15 O ATOM 941 CB LYS A 60 9.320 2.930 11.082 1.00 71.32 C ATOM 942 CG LYS A 60 10.588 2.235 10.529 1.00 74.23 C ATOM 943 CD LYS A 60 11.003 1.003 11.365 1.00 21.11 C ATOM 944 CE LYS A 60 12.183 0.219 10.755 1.00 21.42 C ATOM 945 NZ LYS A 60 13.448 1.000 10.748 1.00 41.44 N ATOM 0 H LYS A 60 9.591 5.736 10.861 1.00 45.43 H new ATOM 0 HA LYS A 60 8.626 3.560 9.113 1.00 25.21 H new ATOM 0 HB2 LYS A 60 9.571 3.423 12.021 1.00 71.32 H new ATOM 0 HB3 LYS A 60 8.574 2.169 11.311 1.00 71.32 H new ATOM 0 HG2 LYS A 60 10.409 1.927 9.499 1.00 74.23 H new ATOM 0 HG3 LYS A 60 11.410 2.950 10.509 1.00 74.23 H new ATOM 0 HD2 LYS A 60 11.273 1.329 12.369 1.00 21.11 H new ATOM 0 HD3 LYS A 60 10.147 0.336 11.466 1.00 21.11 H new ATOM 0 HE2 LYS A 60 12.332 -0.702 11.319 1.00 21.42 H new ATOM 0 HE3 LYS A 60 11.933 -0.069 9.734 1.00 21.42 H new ATOM 0 HZ1 LYS A 60 14.128 0.554 10.100 1.00 41.44 H new ATOM 0 HZ2 LYS A 60 13.254 1.972 10.432 1.00 41.44 H new ATOM 0 HZ3 LYS A 60 13.848 1.022 11.708 1.00 41.44 H new ATOM 959 N ALA A 61 6.409 3.250 10.533 1.00 73.04 N ATOM 960 CA ALA A 61 5.021 3.271 11.006 1.00 13.40 C ATOM 961 C ALA A 61 4.693 1.922 11.676 1.00 64.21 C ATOM 962 O ALA A 61 4.896 0.861 11.076 1.00 72.55 O ATOM 963 CB ALA A 61 4.058 3.566 9.840 1.00 22.25 C ATOM 0 H ALA A 61 6.692 2.339 10.173 1.00 73.04 H new ATOM 0 HA ALA A 61 4.897 4.067 11.741 1.00 13.40 H new ATOM 0 HB1 ALA A 61 3.032 3.578 10.209 1.00 22.25 H new ATOM 0 HB2 ALA A 61 4.299 4.536 9.406 1.00 22.25 H new ATOM 0 HB3 ALA A 61 4.161 2.793 9.079 1.00 22.25 H new ATOM 969 N ALA A 62 4.190 1.970 12.916 1.00 63.42 N ATOM 970 CA ALA A 62 3.867 0.762 13.706 1.00 31.02 C ATOM 971 C ALA A 62 2.350 0.591 13.743 1.00 51.13 C ATOM 972 O ALA A 62 1.638 1.516 14.146 1.00 41.22 O ATOM 973 CB ALA A 62 4.432 0.867 15.133 1.00 52.41 C ATOM 0 H ALA A 62 3.994 2.843 13.405 1.00 63.42 H new ATOM 0 HA ALA A 62 4.326 -0.108 13.236 1.00 31.02 H new ATOM 0 HB1 ALA A 62 4.180 -0.034 15.691 1.00 52.41 H new ATOM 0 HB2 ALA A 62 5.516 0.975 15.088 1.00 52.41 H new ATOM 0 HB3 ALA A 62 4.001 1.735 15.632 1.00 52.41 H new ATOM 979 N TYR A 63 1.856 -0.576 13.307 1.00 11.25 N ATOM 980 CA TYR A 63 0.406 -0.829 13.210 1.00 31.14 C ATOM 981 C TYR A 63 0.052 -2.304 13.441 1.00 33.03 C ATOM 982 O TYR A 63 0.926 -3.173 13.530 1.00 24.21 O ATOM 983 CB TYR A 63 -0.136 -0.353 11.830 1.00 71.40 C ATOM 984 CG TYR A 63 0.416 -1.112 10.603 1.00 5.20 C ATOM 985 CD1 TYR A 63 1.688 -0.829 10.090 1.00 35.35 C ATOM 986 CD2 TYR A 63 -0.337 -2.103 9.956 1.00 40.24 C ATOM 987 CE1 TYR A 63 2.184 -1.503 8.991 1.00 1.54 C ATOM 988 CE2 TYR A 63 0.161 -2.778 8.858 1.00 14.11 C ATOM 989 CZ TYR A 63 1.422 -2.473 8.379 1.00 74.14 C ATOM 990 OH TYR A 63 1.927 -3.145 7.284 1.00 5.20 O ATOM 0 H TYR A 63 2.437 -1.362 13.015 1.00 11.25 H new ATOM 0 HA TYR A 63 -0.073 -0.255 14.004 1.00 31.14 H new ATOM 0 HB2 TYR A 63 -1.222 -0.445 11.834 1.00 71.40 H new ATOM 0 HB3 TYR A 63 0.094 0.706 11.714 1.00 71.40 H new ATOM 0 HD1 TYR A 63 2.293 -0.069 10.563 1.00 35.35 H new ATOM 0 HD2 TYR A 63 -1.324 -2.343 10.323 1.00 40.24 H new ATOM 0 HE1 TYR A 63 3.168 -1.269 8.612 1.00 1.54 H new ATOM 0 HE2 TYR A 63 -0.432 -3.541 8.376 1.00 14.11 H new ATOM 0 HH TYR A 63 2.663 -3.727 7.568 1.00 5.20 H new ATOM 1000 N TYR A 64 -1.256 -2.548 13.551 1.00 11.14 N ATOM 1001 CA TYR A 64 -1.842 -3.895 13.626 1.00 63.43 C ATOM 1002 C TYR A 64 -3.321 -3.839 13.189 1.00 1.32 C ATOM 1003 O TYR A 64 -4.055 -2.938 13.598 1.00 34.51 O ATOM 1004 CB TYR A 64 -1.689 -4.488 15.061 1.00 25.54 C ATOM 1005 CG TYR A 64 -2.177 -3.563 16.196 1.00 71.31 C ATOM 1006 CD1 TYR A 64 -3.506 -3.577 16.627 1.00 30.50 C ATOM 1007 CD2 TYR A 64 -1.303 -2.674 16.833 1.00 70.42 C ATOM 1008 CE1 TYR A 64 -3.945 -2.746 17.639 1.00 64.24 C ATOM 1009 CE2 TYR A 64 -1.738 -1.847 17.845 1.00 3.34 C ATOM 1010 CZ TYR A 64 -3.057 -1.885 18.245 1.00 45.12 C ATOM 1011 OH TYR A 64 -3.488 -1.049 19.252 1.00 15.13 O ATOM 0 H TYR A 64 -1.953 -1.804 13.591 1.00 11.14 H new ATOM 0 HA TYR A 64 -1.306 -4.558 12.947 1.00 63.43 H new ATOM 0 HB2 TYR A 64 -2.241 -5.426 15.113 1.00 25.54 H new ATOM 0 HB3 TYR A 64 -0.639 -4.726 15.231 1.00 25.54 H new ATOM 0 HD1 TYR A 64 -4.206 -4.253 16.158 1.00 30.50 H new ATOM 0 HD2 TYR A 64 -0.268 -2.636 16.525 1.00 70.42 H new ATOM 0 HE1 TYR A 64 -4.978 -2.771 17.953 1.00 64.24 H new ATOM 0 HE2 TYR A 64 -1.047 -1.170 18.325 1.00 3.34 H new ATOM 0 HH TYR A 64 -3.061 -0.172 19.155 1.00 15.13 H new ATOM 1021 N MET A 65 -3.757 -4.797 12.364 1.00 32.43 N ATOM 1022 CA MET A 65 -5.150 -4.847 11.877 1.00 74.41 C ATOM 1023 C MET A 65 -6.047 -5.559 12.909 1.00 44.13 C ATOM 1024 O MET A 65 -5.954 -6.773 13.080 1.00 0.33 O ATOM 1025 CB MET A 65 -5.224 -5.551 10.500 1.00 5.32 C ATOM 1026 CG MET A 65 -4.488 -4.815 9.375 1.00 73.53 C ATOM 1027 SD MET A 65 -4.747 -5.556 7.748 1.00 55.41 S ATOM 1028 CE MET A 65 -4.024 -7.184 7.953 1.00 55.04 C ATOM 0 H MET A 65 -3.167 -5.553 12.016 1.00 32.43 H new ATOM 0 HA MET A 65 -5.513 -3.827 11.750 1.00 74.41 H new ATOM 0 HB2 MET A 65 -4.808 -6.554 10.595 1.00 5.32 H new ATOM 0 HB3 MET A 65 -6.271 -5.665 10.219 1.00 5.32 H new ATOM 0 HG2 MET A 65 -4.820 -3.777 9.351 1.00 73.53 H new ATOM 0 HG3 MET A 65 -3.421 -4.803 9.595 1.00 73.53 H new ATOM 0 HE1 MET A 65 -3.940 -7.670 6.981 1.00 55.04 H new ATOM 0 HE2 MET A 65 -3.034 -7.089 8.398 1.00 55.04 H new ATOM 0 HE3 MET A 65 -4.659 -7.784 8.605 1.00 55.04 H new ATOM 1038 N THR A 66 -6.888 -4.787 13.615 1.00 25.33 N ATOM 1039 CA THR A 66 -7.797 -5.325 14.648 1.00 5.21 C ATOM 1040 C THR A 66 -8.954 -6.120 13.989 1.00 30.44 C ATOM 1041 O THR A 66 -9.962 -5.550 13.571 1.00 5.20 O ATOM 1042 CB THR A 66 -8.359 -4.188 15.571 1.00 33.33 C ATOM 1043 OG1 THR A 66 -7.268 -3.419 16.118 1.00 52.43 O ATOM 1044 CG2 THR A 66 -9.209 -4.749 16.733 1.00 74.32 C ATOM 0 H THR A 66 -6.960 -3.777 13.489 1.00 25.33 H new ATOM 0 HA THR A 66 -7.222 -6.003 15.278 1.00 5.21 H new ATOM 0 HB THR A 66 -9.000 -3.558 14.955 1.00 33.33 H new ATOM 0 HG1 THR A 66 -7.624 -2.709 16.692 1.00 52.43 H new ATOM 0 HG21 THR A 66 -9.577 -3.926 17.345 1.00 74.32 H new ATOM 0 HG22 THR A 66 -10.054 -5.307 16.329 1.00 74.32 H new ATOM 0 HG23 THR A 66 -8.597 -5.411 17.345 1.00 74.32 H new ATOM 1052 N GLY A 67 -8.765 -7.443 13.888 1.00 74.33 N ATOM 1053 CA GLY A 67 -9.684 -8.335 13.165 1.00 33.03 C ATOM 1054 C GLY A 67 -11.029 -8.602 13.850 1.00 40.24 C ATOM 1055 O GLY A 67 -11.241 -8.192 15.001 1.00 74.52 O ATOM 0 H GLY A 67 -7.970 -7.926 14.306 1.00 74.33 H new ATOM 0 HA2 GLY A 67 -9.877 -7.907 12.181 1.00 33.03 H new ATOM 0 HA3 GLY A 67 -9.183 -9.290 13.005 1.00 33.03 H new ATOM 1059 N PRO A 68 -11.958 -9.346 13.168 1.00 23.14 N ATOM 1060 CA PRO A 68 -13.341 -9.592 13.669 1.00 33.34 C ATOM 1061 C PRO A 68 -13.384 -10.613 14.837 1.00 35.24 C ATOM 1062 O PRO A 68 -14.374 -10.693 15.570 1.00 14.23 O ATOM 1063 CB PRO A 68 -14.068 -10.116 12.407 1.00 23.34 C ATOM 1064 CG PRO A 68 -12.995 -10.824 11.624 1.00 3.32 C ATOM 1065 CD PRO A 68 -11.725 -10.029 11.857 1.00 61.04 C ATOM 0 HA PRO A 68 -13.802 -8.701 14.096 1.00 33.34 H new ATOM 0 HB2 PRO A 68 -14.881 -10.793 12.669 1.00 23.34 H new ATOM 0 HB3 PRO A 68 -14.506 -9.299 11.833 1.00 23.34 H new ATOM 0 HG2 PRO A 68 -12.879 -11.854 11.961 1.00 3.32 H new ATOM 0 HG3 PRO A 68 -13.244 -10.862 10.564 1.00 3.32 H new ATOM 0 HD2 PRO A 68 -10.850 -10.678 11.895 1.00 61.04 H new ATOM 0 HD3 PRO A 68 -11.553 -9.309 11.057 1.00 61.04 H new ATOM 1073 N ASP A 69 -12.292 -11.380 14.987 1.00 41.45 N ATOM 1074 CA ASP A 69 -12.088 -12.320 16.108 1.00 74.01 C ATOM 1075 C ASP A 69 -11.516 -11.604 17.355 1.00 1.01 C ATOM 1076 O ASP A 69 -11.557 -12.140 18.469 1.00 32.31 O ATOM 1077 CB ASP A 69 -11.108 -13.435 15.666 1.00 62.15 C ATOM 1078 CG ASP A 69 -11.538 -14.126 14.368 1.00 22.03 C ATOM 1079 OD1 ASP A 69 -11.237 -13.590 13.275 1.00 41.42 O ATOM 1080 OD2 ASP A 69 -12.194 -15.188 14.432 1.00 70.31 O ATOM 0 H ASP A 69 -11.515 -11.367 14.327 1.00 41.45 H new ATOM 0 HA ASP A 69 -13.056 -12.745 16.375 1.00 74.01 H new ATOM 0 HB2 ASP A 69 -10.115 -13.007 15.532 1.00 62.15 H new ATOM 0 HB3 ASP A 69 -11.030 -14.179 16.459 1.00 62.15 H new ATOM 1085 N GLY A 70 -10.991 -10.385 17.137 1.00 52.22 N ATOM 1086 CA GLY A 70 -10.144 -9.693 18.113 1.00 41.30 C ATOM 1087 C GLY A 70 -8.649 -9.917 17.844 1.00 71.34 C ATOM 1088 O GLY A 70 -7.795 -9.307 18.494 1.00 1.13 O ATOM 0 H GLY A 70 -11.144 -9.856 16.279 1.00 52.22 H new ATOM 0 HA2 GLY A 70 -10.360 -8.625 18.087 1.00 41.30 H new ATOM 0 HA3 GLY A 70 -10.388 -10.043 19.116 1.00 41.30 H new ATOM 1092 N THR A 71 -8.340 -10.802 16.865 1.00 53.53 N ATOM 1093 CA THR A 71 -6.961 -11.081 16.408 1.00 22.21 C ATOM 1094 C THR A 71 -6.347 -9.840 15.731 1.00 71.04 C ATOM 1095 O THR A 71 -6.844 -9.385 14.708 1.00 44.41 O ATOM 1096 CB THR A 71 -6.919 -12.281 15.392 1.00 75.14 C ATOM 1097 OG1 THR A 71 -7.585 -13.421 15.951 1.00 72.52 O ATOM 1098 CG2 THR A 71 -5.473 -12.677 15.014 1.00 52.12 C ATOM 0 H THR A 71 -9.047 -11.345 16.369 1.00 53.53 H new ATOM 0 HA THR A 71 -6.383 -11.344 17.293 1.00 22.21 H new ATOM 0 HB THR A 71 -7.427 -11.951 14.486 1.00 75.14 H new ATOM 0 HG1 THR A 71 -7.556 -14.163 15.312 1.00 72.52 H new ATOM 0 HG21 THR A 71 -5.496 -13.509 14.311 1.00 52.12 H new ATOM 0 HG22 THR A 71 -4.971 -11.826 14.553 1.00 52.12 H new ATOM 0 HG23 THR A 71 -4.931 -12.975 15.911 1.00 52.12 H new ATOM 1106 N LYS A 72 -5.286 -9.296 16.324 1.00 4.52 N ATOM 1107 CA LYS A 72 -4.548 -8.148 15.773 1.00 64.54 C ATOM 1108 C LYS A 72 -3.397 -8.640 14.863 1.00 73.45 C ATOM 1109 O LYS A 72 -2.443 -9.260 15.348 1.00 45.41 O ATOM 1110 CB LYS A 72 -4.009 -7.286 16.945 1.00 22.43 C ATOM 1111 CG LYS A 72 -5.116 -6.682 17.843 1.00 34.44 C ATOM 1112 CD LYS A 72 -4.548 -6.024 19.124 1.00 22.43 C ATOM 1113 CE LYS A 72 -5.641 -5.374 19.994 1.00 11.21 C ATOM 1114 NZ LYS A 72 -5.085 -4.814 21.251 1.00 12.32 N ATOM 0 H LYS A 72 -4.907 -9.638 17.207 1.00 4.52 H new ATOM 0 HA LYS A 72 -5.213 -7.537 15.162 1.00 64.54 H new ATOM 0 HB2 LYS A 72 -3.350 -7.899 17.560 1.00 22.43 H new ATOM 0 HB3 LYS A 72 -3.403 -6.476 16.538 1.00 22.43 H new ATOM 0 HG2 LYS A 72 -5.675 -5.939 17.274 1.00 34.44 H new ATOM 0 HG3 LYS A 72 -5.820 -7.466 18.123 1.00 34.44 H new ATOM 0 HD2 LYS A 72 -4.022 -6.777 19.711 1.00 22.43 H new ATOM 0 HD3 LYS A 72 -3.815 -5.268 18.844 1.00 22.43 H new ATOM 0 HE2 LYS A 72 -6.132 -4.582 19.429 1.00 11.21 H new ATOM 0 HE3 LYS A 72 -6.404 -6.115 20.233 1.00 11.21 H new ATOM 0 HZ1 LYS A 72 -5.851 -4.386 21.809 1.00 12.32 H new ATOM 0 HZ2 LYS A 72 -4.639 -5.575 21.802 1.00 12.32 H new ATOM 0 HZ3 LYS A 72 -4.375 -4.089 21.024 1.00 12.32 H new ATOM 1128 N ALA A 73 -3.500 -8.374 13.543 1.00 73.21 N ATOM 1129 CA ALA A 73 -2.437 -8.742 12.580 1.00 73.01 C ATOM 1130 C ALA A 73 -1.325 -7.681 12.628 1.00 3.54 C ATOM 1131 O ALA A 73 -1.436 -6.618 12.007 1.00 2.12 O ATOM 1132 CB ALA A 73 -2.997 -8.882 11.155 1.00 61.14 C ATOM 0 H ALA A 73 -4.303 -7.908 13.121 1.00 73.21 H new ATOM 0 HA ALA A 73 -2.026 -9.712 12.861 1.00 73.01 H new ATOM 0 HB1 ALA A 73 -2.191 -9.153 10.472 1.00 61.14 H new ATOM 0 HB2 ALA A 73 -3.762 -9.658 11.139 1.00 61.14 H new ATOM 0 HB3 ALA A 73 -3.435 -7.934 10.842 1.00 61.14 H new ATOM 1138 N ARG A 74 -0.255 -7.996 13.364 1.00 70.04 N ATOM 1139 CA ARG A 74 0.849 -7.053 13.645 1.00 21.31 C ATOM 1140 C ARG A 74 1.684 -6.810 12.356 1.00 73.15 C ATOM 1141 O ARG A 74 1.944 -7.742 11.598 1.00 33.14 O ATOM 1142 CB ARG A 74 1.705 -7.624 14.835 1.00 61.45 C ATOM 1143 CG ARG A 74 2.275 -6.577 15.832 1.00 45.04 C ATOM 1144 CD ARG A 74 3.518 -5.842 15.321 1.00 20.42 C ATOM 1145 NE ARG A 74 3.955 -4.784 16.245 1.00 63.23 N ATOM 1146 CZ ARG A 74 4.542 -3.660 15.900 1.00 4.54 C ATOM 1147 NH1 ARG A 74 4.700 -3.330 14.650 1.00 64.20 N ATOM 1148 NH2 ARG A 74 4.942 -2.856 16.829 1.00 42.31 N ATOM 0 H ARG A 74 -0.123 -8.915 13.787 1.00 70.04 H new ATOM 0 HA ARG A 74 0.463 -6.080 13.948 1.00 21.31 H new ATOM 0 HB2 ARG A 74 1.089 -8.329 15.393 1.00 61.45 H new ATOM 0 HB3 ARG A 74 2.538 -8.189 14.418 1.00 61.45 H new ATOM 0 HG2 ARG A 74 1.499 -5.845 16.057 1.00 45.04 H new ATOM 0 HG3 ARG A 74 2.521 -7.078 16.768 1.00 45.04 H new ATOM 0 HD2 ARG A 74 4.329 -6.557 15.180 1.00 20.42 H new ATOM 0 HD3 ARG A 74 3.305 -5.405 14.345 1.00 20.42 H new ATOM 0 HE ARG A 74 3.788 -4.936 17.240 1.00 63.23 H new ATOM 0 HH11 ARG A 74 4.365 -3.950 13.913 1.00 64.20 H new ATOM 0 HH12 ARG A 74 5.159 -2.452 14.408 1.00 64.20 H new ATOM 0 HH21 ARG A 74 4.800 -3.099 17.809 1.00 42.31 H new ATOM 0 HH22 ARG A 74 5.400 -1.979 16.582 1.00 42.31 H new ATOM 1162 N GLY A 75 2.034 -5.542 12.076 1.00 65.21 N ATOM 1163 CA GLY A 75 2.859 -5.201 10.905 1.00 64.30 C ATOM 1164 C GLY A 75 3.791 -4.014 11.139 1.00 20.13 C ATOM 1165 O GLY A 75 3.536 -3.164 12.004 1.00 74.12 O ATOM 0 H GLY A 75 1.759 -4.740 12.643 1.00 65.21 H new ATOM 0 HA2 GLY A 75 3.454 -6.070 10.625 1.00 64.30 H new ATOM 0 HA3 GLY A 75 2.205 -4.978 10.062 1.00 64.30 H new ATOM 1169 N TRP A 76 4.885 -3.964 10.356 1.00 30.55 N ATOM 1170 CA TRP A 76 5.834 -2.825 10.337 1.00 62.54 C ATOM 1171 C TRP A 76 5.825 -2.172 8.939 1.00 45.12 C ATOM 1172 O TRP A 76 5.647 -2.844 7.925 1.00 43.13 O ATOM 1173 CB TRP A 76 7.278 -3.286 10.712 1.00 54.23 C ATOM 1174 CG TRP A 76 7.899 -4.276 9.740 1.00 1.11 C ATOM 1175 CD1 TRP A 76 7.743 -5.633 9.741 1.00 74.34 C ATOM 1176 CD2 TRP A 76 8.762 -3.979 8.620 1.00 74.11 C ATOM 1177 NE1 TRP A 76 8.428 -6.190 8.697 1.00 74.14 N ATOM 1178 CE2 TRP A 76 9.067 -5.200 7.999 1.00 42.40 C ATOM 1179 CE3 TRP A 76 9.295 -2.797 8.081 1.00 62.40 C ATOM 1180 CZ2 TRP A 76 9.881 -5.285 6.871 1.00 44.31 C ATOM 1181 CZ3 TRP A 76 10.106 -2.883 6.962 1.00 41.21 C ATOM 1182 CH2 TRP A 76 10.388 -4.120 6.365 1.00 70.31 C ATOM 0 H TRP A 76 5.140 -4.714 9.714 1.00 30.55 H new ATOM 0 HA TRP A 76 5.516 -2.095 11.082 1.00 62.54 H new ATOM 0 HB2 TRP A 76 7.921 -2.408 10.776 1.00 54.23 H new ATOM 0 HB3 TRP A 76 7.255 -3.737 11.704 1.00 54.23 H new ATOM 0 HD1 TRP A 76 7.162 -6.187 10.463 1.00 74.34 H new ATOM 0 HE1 TRP A 76 8.458 -7.185 8.474 1.00 74.14 H new ATOM 0 HE3 TRP A 76 9.077 -1.840 8.530 1.00 62.40 H new ATOM 0 HZ2 TRP A 76 10.104 -6.237 6.413 1.00 44.31 H new ATOM 0 HZ3 TRP A 76 10.528 -1.982 6.542 1.00 41.21 H new ATOM 0 HH2 TRP A 76 11.018 -4.153 5.488 1.00 70.31 H new ATOM 1193 N TRP A 77 6.000 -0.860 8.891 1.00 72.32 N ATOM 1194 CA TRP A 77 6.062 -0.108 7.618 1.00 75.41 C ATOM 1195 C TRP A 77 7.293 0.822 7.651 1.00 2.42 C ATOM 1196 O TRP A 77 7.600 1.375 8.702 1.00 61.20 O ATOM 1197 CB TRP A 77 4.726 0.689 7.461 1.00 74.41 C ATOM 1198 CG TRP A 77 4.200 0.826 6.053 1.00 32.33 C ATOM 1199 CD1 TRP A 77 4.268 -0.095 5.045 1.00 55.24 C ATOM 1200 CD2 TRP A 77 3.452 1.932 5.530 1.00 62.21 C ATOM 1201 NE1 TRP A 77 3.651 0.389 3.925 1.00 11.22 N ATOM 1202 CE2 TRP A 77 3.141 1.633 4.199 1.00 64.43 C ATOM 1203 CE3 TRP A 77 3.034 3.151 6.057 1.00 13.22 C ATOM 1204 CZ2 TRP A 77 2.428 2.508 3.386 1.00 15.02 C ATOM 1205 CZ3 TRP A 77 2.325 4.017 5.247 1.00 41.34 C ATOM 1206 CH2 TRP A 77 2.030 3.694 3.924 1.00 11.10 C ATOM 0 H TRP A 77 6.104 -0.277 9.721 1.00 72.32 H new ATOM 0 HA TRP A 77 6.170 -0.772 6.760 1.00 75.41 H new ATOM 0 HB2 TRP A 77 3.962 0.202 8.067 1.00 74.41 H new ATOM 0 HB3 TRP A 77 4.871 1.688 7.872 1.00 74.41 H new ATOM 0 HD1 TRP A 77 4.740 -1.063 5.122 1.00 55.24 H new ATOM 0 HE1 TRP A 77 3.581 -0.096 3.031 1.00 11.22 H new ATOM 0 HE3 TRP A 77 3.260 3.415 7.080 1.00 13.22 H new ATOM 0 HZ2 TRP A 77 2.198 2.255 2.362 1.00 15.02 H new ATOM 0 HZ3 TRP A 77 1.993 4.963 5.647 1.00 41.34 H new ATOM 0 HH2 TRP A 77 1.477 4.395 3.316 1.00 11.10 H new ATOM 1217 N GLN A 78 8.022 0.976 6.526 1.00 50.44 N ATOM 1218 CA GLN A 78 9.196 1.884 6.473 1.00 25.02 C ATOM 1219 C GLN A 78 9.319 2.586 5.107 1.00 25.20 C ATOM 1220 O GLN A 78 9.381 1.932 4.068 1.00 33.24 O ATOM 1221 CB GLN A 78 10.518 1.135 6.813 1.00 30.15 C ATOM 1222 CG GLN A 78 11.764 2.063 6.858 1.00 34.34 C ATOM 1223 CD GLN A 78 13.044 1.389 7.360 1.00 12.21 C ATOM 1224 OE1 GLN A 78 13.240 0.194 7.187 1.00 20.42 O ATOM 1225 NE2 GLN A 78 13.928 2.157 7.983 1.00 45.33 N ATOM 0 H GLN A 78 7.825 0.492 5.650 1.00 50.44 H new ATOM 0 HA GLN A 78 9.030 2.648 7.232 1.00 25.02 H new ATOM 0 HB2 GLN A 78 10.408 0.641 7.778 1.00 30.15 H new ATOM 0 HB3 GLN A 78 10.684 0.353 6.072 1.00 30.15 H new ATOM 0 HG2 GLN A 78 11.944 2.456 5.857 1.00 34.34 H new ATOM 0 HG3 GLN A 78 11.542 2.916 7.500 1.00 34.34 H new ATOM 0 HE21 GLN A 78 13.738 3.151 8.113 1.00 45.33 H new ATOM 0 HE22 GLN A 78 14.798 1.754 8.332 1.00 45.33 H new ATOM 1234 N PHE A 79 9.384 3.927 5.148 1.00 32.13 N ATOM 1235 CA PHE A 79 9.510 4.791 3.958 1.00 0.04 C ATOM 1236 C PHE A 79 10.996 4.975 3.581 1.00 35.32 C ATOM 1237 O PHE A 79 11.840 5.172 4.463 1.00 23.14 O ATOM 1238 CB PHE A 79 8.893 6.185 4.240 1.00 42.41 C ATOM 1239 CG PHE A 79 7.531 6.140 4.919 1.00 51.54 C ATOM 1240 CD1 PHE A 79 6.360 6.048 4.174 1.00 4.55 C ATOM 1241 CD2 PHE A 79 7.429 6.180 6.314 1.00 73.44 C ATOM 1242 CE1 PHE A 79 5.135 6.002 4.800 1.00 5.42 C ATOM 1243 CE2 PHE A 79 6.202 6.130 6.937 1.00 45.33 C ATOM 1244 CZ PHE A 79 5.056 6.043 6.181 1.00 15.40 C ATOM 0 H PHE A 79 9.350 4.452 6.022 1.00 32.13 H new ATOM 0 HA PHE A 79 8.980 4.312 3.135 1.00 0.04 H new ATOM 0 HB2 PHE A 79 9.580 6.754 4.867 1.00 42.41 H new ATOM 0 HB3 PHE A 79 8.799 6.725 3.298 1.00 42.41 H new ATOM 0 HD1 PHE A 79 6.412 6.012 3.096 1.00 4.55 H new ATOM 0 HD2 PHE A 79 8.326 6.251 6.911 1.00 73.44 H new ATOM 0 HE1 PHE A 79 4.232 5.934 4.211 1.00 5.42 H new ATOM 0 HE2 PHE A 79 6.140 6.159 8.015 1.00 45.33 H new ATOM 0 HZ PHE A 79 4.092 6.007 6.667 1.00 15.40 H new ATOM 1254 N THR A 80 11.306 4.912 2.281 1.00 54.14 N ATOM 1255 CA THR A 80 12.666 5.187 1.760 1.00 1.53 C ATOM 1256 C THR A 80 12.698 6.521 0.977 1.00 25.13 C ATOM 1257 O THR A 80 13.523 7.395 1.252 1.00 32.12 O ATOM 1258 CB THR A 80 13.164 4.029 0.835 1.00 34.52 C ATOM 1259 OG1 THR A 80 12.308 3.918 -0.317 1.00 64.10 O ATOM 1260 CG2 THR A 80 13.198 2.672 1.574 1.00 31.14 C ATOM 0 H THR A 80 10.630 4.671 1.556 1.00 54.14 H new ATOM 0 HA THR A 80 13.332 5.261 2.620 1.00 1.53 H new ATOM 0 HB THR A 80 14.181 4.274 0.528 1.00 34.52 H new ATOM 0 HG1 THR A 80 12.826 3.584 -1.079 1.00 64.10 H new ATOM 0 HG21 THR A 80 13.550 1.896 0.894 1.00 31.14 H new ATOM 0 HG22 THR A 80 13.872 2.739 2.428 1.00 31.14 H new ATOM 0 HG23 THR A 80 12.196 2.422 1.922 1.00 31.14 H new ATOM 1268 N THR A 81 11.787 6.665 -0.006 1.00 62.35 N ATOM 1269 CA THR A 81 11.723 7.852 -0.902 1.00 45.15 C ATOM 1270 C THR A 81 10.382 8.595 -0.747 1.00 33.42 C ATOM 1271 O THR A 81 9.327 8.048 -1.058 1.00 62.44 O ATOM 1272 CB THR A 81 11.910 7.452 -2.410 1.00 41.14 C ATOM 1273 OG1 THR A 81 13.146 6.734 -2.589 1.00 23.43 O ATOM 1274 CG2 THR A 81 11.889 8.671 -3.356 1.00 52.32 C ATOM 0 H THR A 81 11.072 5.966 -0.206 1.00 62.35 H new ATOM 0 HA THR A 81 12.540 8.509 -0.605 1.00 45.15 H new ATOM 0 HB THR A 81 11.064 6.815 -2.669 1.00 41.14 H new ATOM 0 HG1 THR A 81 13.093 6.188 -3.401 1.00 23.43 H new ATOM 0 HG21 THR A 81 12.022 8.336 -4.385 1.00 52.32 H new ATOM 0 HG22 THR A 81 10.933 9.187 -3.264 1.00 52.32 H new ATOM 0 HG23 THR A 81 12.697 9.353 -3.089 1.00 52.32 H new ATOM 1282 N ILE A 82 10.428 9.849 -0.259 1.00 40.13 N ATOM 1283 CA ILE A 82 9.248 10.740 -0.207 1.00 1.34 C ATOM 1284 C ILE A 82 9.593 12.082 -0.887 1.00 33.41 C ATOM 1285 O ILE A 82 10.269 12.932 -0.296 1.00 72.51 O ATOM 1286 CB ILE A 82 8.740 10.989 1.269 1.00 52.12 C ATOM 1287 CG1 ILE A 82 8.460 9.628 1.988 1.00 42.33 C ATOM 1288 CG2 ILE A 82 7.483 11.905 1.282 1.00 33.25 C ATOM 1289 CD1 ILE A 82 7.726 9.715 3.312 1.00 51.33 C ATOM 0 H ILE A 82 11.279 10.274 0.109 1.00 40.13 H new ATOM 0 HA ILE A 82 8.435 10.246 -0.739 1.00 1.34 H new ATOM 0 HB ILE A 82 9.526 11.507 1.819 1.00 52.12 H new ATOM 0 HG12 ILE A 82 7.880 8.996 1.315 1.00 42.33 H new ATOM 0 HG13 ILE A 82 9.413 9.125 2.156 1.00 42.33 H new ATOM 0 HG21 ILE A 82 7.156 12.059 2.310 1.00 33.25 H new ATOM 0 HG22 ILE A 82 7.729 12.867 0.832 1.00 33.25 H new ATOM 0 HG23 ILE A 82 6.682 11.432 0.713 1.00 33.25 H new ATOM 0 HD11 ILE A 82 7.588 8.713 3.718 1.00 51.33 H new ATOM 0 HD12 ILE A 82 8.309 10.313 4.013 1.00 51.33 H new ATOM 0 HD13 ILE A 82 6.753 10.182 3.159 1.00 51.33 H new ATOM 1301 N GLU A 83 9.174 12.235 -2.153 1.00 44.52 N ATOM 1302 CA GLU A 83 9.395 13.476 -2.931 1.00 14.05 C ATOM 1303 C GLU A 83 8.209 14.451 -2.768 1.00 73.01 C ATOM 1304 O GLU A 83 8.411 15.657 -2.566 1.00 53.23 O ATOM 1305 CB GLU A 83 9.624 13.131 -4.425 1.00 44.31 C ATOM 1306 CG GLU A 83 10.840 12.211 -4.674 1.00 72.22 C ATOM 1307 CD GLU A 83 11.153 11.926 -6.154 1.00 32.33 C ATOM 1308 OE1 GLU A 83 10.360 12.301 -7.048 1.00 10.02 O ATOM 1309 OE2 GLU A 83 12.185 11.284 -6.430 1.00 21.22 O ATOM 0 H GLU A 83 8.675 11.510 -2.668 1.00 44.52 H new ATOM 0 HA GLU A 83 10.286 13.972 -2.546 1.00 14.05 H new ATOM 0 HB2 GLU A 83 8.729 12.649 -4.818 1.00 44.31 H new ATOM 0 HB3 GLU A 83 9.760 14.056 -4.985 1.00 44.31 H new ATOM 0 HG2 GLU A 83 11.718 12.664 -4.214 1.00 72.22 H new ATOM 0 HG3 GLU A 83 10.668 11.262 -4.166 1.00 72.22 H new ATOM 1316 N ALA A 84 6.979 13.888 -2.868 1.00 25.05 N ATOM 1317 CA ALA A 84 5.697 14.635 -2.792 1.00 2.24 C ATOM 1318 C ALA A 84 5.489 15.632 -3.986 1.00 13.23 C ATOM 1319 O ALA A 84 6.449 16.236 -4.476 1.00 63.41 O ATOM 1320 CB ALA A 84 5.535 15.339 -1.419 1.00 21.25 C ATOM 0 H ALA A 84 6.847 12.886 -3.006 1.00 25.05 H new ATOM 0 HA ALA A 84 4.904 13.893 -2.884 1.00 2.24 H new ATOM 0 HB1 ALA A 84 4.587 15.877 -1.395 1.00 21.25 H new ATOM 0 HB2 ALA A 84 5.549 14.593 -0.624 1.00 21.25 H new ATOM 0 HB3 ALA A 84 6.355 16.042 -1.272 1.00 21.25 H new ATOM 1326 N PRO A 85 4.227 15.821 -4.500 1.00 72.30 N ATOM 1327 CA PRO A 85 2.999 15.131 -4.028 1.00 51.33 C ATOM 1328 C PRO A 85 2.661 13.848 -4.830 1.00 71.15 C ATOM 1329 O PRO A 85 1.537 13.367 -4.767 1.00 54.03 O ATOM 1330 CB PRO A 85 1.943 16.230 -4.262 1.00 42.04 C ATOM 1331 CG PRO A 85 2.379 16.895 -5.550 1.00 75.05 C ATOM 1332 CD PRO A 85 3.901 16.764 -5.609 1.00 64.24 C ATOM 0 HA PRO A 85 3.078 14.768 -3.003 1.00 51.33 H new ATOM 0 HB2 PRO A 85 0.942 15.808 -4.351 1.00 42.04 H new ATOM 0 HB3 PRO A 85 1.918 16.940 -3.436 1.00 42.04 H new ATOM 0 HG2 PRO A 85 1.914 16.415 -6.411 1.00 75.05 H new ATOM 0 HG3 PRO A 85 2.078 17.943 -5.567 1.00 75.05 H new ATOM 0 HD2 PRO A 85 4.231 16.376 -6.573 1.00 64.24 H new ATOM 0 HD3 PRO A 85 4.390 17.728 -5.470 1.00 64.24 H new ATOM 1340 N ASP A 86 3.643 13.301 -5.569 1.00 12.33 N ATOM 1341 CA ASP A 86 3.414 12.193 -6.532 1.00 15.11 C ATOM 1342 C ASP A 86 4.180 10.892 -6.158 1.00 15.54 C ATOM 1343 O ASP A 86 3.576 9.821 -6.057 1.00 63.03 O ATOM 1344 CB ASP A 86 3.795 12.680 -7.959 1.00 54.23 C ATOM 1345 CG ASP A 86 5.285 13.054 -8.105 1.00 62.13 C ATOM 1346 OD1 ASP A 86 5.762 13.928 -7.350 1.00 22.34 O ATOM 1347 OD2 ASP A 86 5.988 12.467 -8.955 1.00 1.21 O ATOM 0 H ASP A 86 4.615 13.608 -5.521 1.00 12.33 H new ATOM 0 HA ASP A 86 2.357 11.929 -6.498 1.00 15.11 H new ATOM 0 HB2 ASP A 86 3.553 11.897 -8.678 1.00 54.23 H new ATOM 0 HB3 ASP A 86 3.185 13.546 -8.214 1.00 54.23 H new ATOM 1352 N HIS A 87 5.507 10.998 -5.953 1.00 64.35 N ATOM 1353 CA HIS A 87 6.406 9.828 -5.796 1.00 10.04 C ATOM 1354 C HIS A 87 6.581 9.450 -4.302 1.00 55.22 C ATOM 1355 O HIS A 87 7.029 10.259 -3.480 1.00 3.52 O ATOM 1356 CB HIS A 87 7.780 10.136 -6.455 1.00 52.13 C ATOM 1357 CG HIS A 87 8.771 8.988 -6.536 1.00 43.45 C ATOM 1358 ND1 HIS A 87 10.033 9.135 -7.081 1.00 41.52 N ATOM 1359 CD2 HIS A 87 8.699 7.682 -6.157 1.00 74.10 C ATOM 1360 CE1 HIS A 87 10.677 7.990 -7.030 1.00 60.32 C ATOM 1361 NE2 HIS A 87 9.893 7.097 -6.479 1.00 5.14 N ATOM 0 H HIS A 87 5.990 11.894 -5.891 1.00 64.35 H new ATOM 0 HA HIS A 87 5.955 8.971 -6.296 1.00 10.04 H new ATOM 0 HB2 HIS A 87 7.598 10.500 -7.466 1.00 52.13 H new ATOM 0 HB3 HIS A 87 8.248 10.951 -5.902 1.00 52.13 H new ATOM 0 HD2 HIS A 87 7.855 7.197 -5.689 1.00 74.10 H new ATOM 0 HE1 HIS A 87 11.683 7.815 -7.383 1.00 60.32 H new ATOM 0 HE2 HIS A 87 10.135 6.120 -6.316 1.00 5.14 H new ATOM 1370 N LEU A 88 6.245 8.191 -3.997 1.00 42.33 N ATOM 1371 CA LEU A 88 6.394 7.575 -2.670 1.00 0.40 C ATOM 1372 C LEU A 88 6.987 6.161 -2.835 1.00 65.15 C ATOM 1373 O LEU A 88 6.656 5.456 -3.785 1.00 70.11 O ATOM 1374 CB LEU A 88 5.008 7.508 -1.969 1.00 32.23 C ATOM 1375 CG LEU A 88 4.958 6.882 -0.542 1.00 21.51 C ATOM 1376 CD1 LEU A 88 5.884 7.617 0.441 1.00 51.43 C ATOM 1377 CD2 LEU A 88 3.512 6.839 -0.012 1.00 41.41 C ATOM 0 H LEU A 88 5.850 7.552 -4.687 1.00 42.33 H new ATOM 0 HA LEU A 88 7.066 8.172 -2.053 1.00 0.40 H new ATOM 0 HB2 LEU A 88 4.612 8.522 -1.907 1.00 32.23 H new ATOM 0 HB3 LEU A 88 4.333 6.941 -2.610 1.00 32.23 H new ATOM 0 HG LEU A 88 5.324 5.858 -0.624 1.00 21.51 H new ATOM 0 HD11 LEU A 88 5.818 7.148 1.423 1.00 51.43 H new ATOM 0 HD12 LEU A 88 6.912 7.564 0.082 1.00 51.43 H new ATOM 0 HD13 LEU A 88 5.580 8.661 0.516 1.00 51.43 H new ATOM 0 HD21 LEU A 88 3.503 6.398 0.985 1.00 41.41 H new ATOM 0 HD22 LEU A 88 3.112 7.852 0.035 1.00 41.41 H new ATOM 0 HD23 LEU A 88 2.897 6.237 -0.681 1.00 41.41 H new ATOM 1389 N GLU A 89 7.893 5.775 -1.931 1.00 63.45 N ATOM 1390 CA GLU A 89 8.465 4.416 -1.869 1.00 23.24 C ATOM 1391 C GLU A 89 8.525 3.961 -0.406 1.00 54.14 C ATOM 1392 O GLU A 89 8.912 4.731 0.481 1.00 3.12 O ATOM 1393 CB GLU A 89 9.885 4.351 -2.498 1.00 42.12 C ATOM 1394 CG GLU A 89 9.935 4.482 -4.034 1.00 13.54 C ATOM 1395 CD GLU A 89 11.362 4.399 -4.611 1.00 34.13 C ATOM 1396 OE1 GLU A 89 11.990 3.329 -4.496 1.00 33.31 O ATOM 1397 OE2 GLU A 89 11.865 5.401 -5.160 1.00 22.44 O ATOM 0 H GLU A 89 8.257 6.400 -1.212 1.00 63.45 H new ATOM 0 HA GLU A 89 7.821 3.753 -2.447 1.00 23.24 H new ATOM 0 HB2 GLU A 89 10.493 5.144 -2.063 1.00 42.12 H new ATOM 0 HB3 GLU A 89 10.346 3.404 -2.216 1.00 42.12 H new ATOM 0 HG2 GLU A 89 9.326 3.695 -4.478 1.00 13.54 H new ATOM 0 HG3 GLU A 89 9.489 5.433 -4.325 1.00 13.54 H new ATOM 1404 N PHE A 90 8.136 2.711 -0.179 1.00 44.32 N ATOM 1405 CA PHE A 90 8.100 2.094 1.155 1.00 73.04 C ATOM 1406 C PHE A 90 8.169 0.567 1.036 1.00 12.13 C ATOM 1407 O PHE A 90 8.181 0.020 -0.069 1.00 75.15 O ATOM 1408 CB PHE A 90 6.829 2.530 1.945 1.00 51.13 C ATOM 1409 CG PHE A 90 5.517 2.311 1.195 1.00 63.45 C ATOM 1410 CD1 PHE A 90 4.942 1.046 1.091 1.00 41.30 C ATOM 1411 CD2 PHE A 90 4.862 3.375 0.585 1.00 50.11 C ATOM 1412 CE1 PHE A 90 3.762 0.862 0.406 1.00 14.22 C ATOM 1413 CE2 PHE A 90 3.685 3.182 -0.099 1.00 11.32 C ATOM 1414 CZ PHE A 90 3.132 1.928 -0.187 1.00 40.11 C ATOM 0 H PHE A 90 7.831 2.083 -0.923 1.00 44.32 H new ATOM 0 HA PHE A 90 8.970 2.440 1.713 1.00 73.04 H new ATOM 0 HB2 PHE A 90 6.793 1.979 2.885 1.00 51.13 H new ATOM 0 HB3 PHE A 90 6.917 3.587 2.198 1.00 51.13 H new ATOM 0 HD1 PHE A 90 5.428 0.200 1.553 1.00 41.30 H new ATOM 0 HD2 PHE A 90 5.284 4.367 0.649 1.00 50.11 H new ATOM 0 HE1 PHE A 90 3.330 -0.125 0.335 1.00 14.22 H new ATOM 0 HE2 PHE A 90 3.193 4.021 -0.569 1.00 11.32 H new ATOM 0 HZ PHE A 90 2.205 1.781 -0.721 1.00 40.11 H new ATOM 1424 N ASP A 91 8.222 -0.101 2.187 1.00 64.43 N ATOM 1425 CA ASP A 91 8.226 -1.567 2.271 1.00 5.34 C ATOM 1426 C ASP A 91 7.014 -2.078 3.084 1.00 10.04 C ATOM 1427 O ASP A 91 6.918 -1.817 4.295 1.00 32.45 O ATOM 1428 CB ASP A 91 9.554 -2.038 2.900 1.00 31.51 C ATOM 1429 CG ASP A 91 10.771 -1.686 2.026 1.00 15.40 C ATOM 1430 OD1 ASP A 91 11.281 -0.548 2.119 1.00 22.14 O ATOM 1431 OD2 ASP A 91 11.212 -2.529 1.215 1.00 64.21 O ATOM 0 H ASP A 91 8.264 0.360 3.096 1.00 64.43 H new ATOM 0 HA ASP A 91 8.141 -1.983 1.267 1.00 5.34 H new ATOM 0 HB2 ASP A 91 9.671 -1.581 3.883 1.00 31.51 H new ATOM 0 HB3 ASP A 91 9.519 -3.117 3.053 1.00 31.51 H new ATOM 1436 N ASP A 92 6.087 -2.787 2.400 1.00 3.00 N ATOM 1437 CA ASP A 92 4.916 -3.427 3.037 1.00 41.34 C ATOM 1438 C ASP A 92 5.361 -4.649 3.865 1.00 62.25 C ATOM 1439 O ASP A 92 5.488 -5.768 3.343 1.00 65.13 O ATOM 1440 CB ASP A 92 3.875 -3.856 1.976 1.00 22.12 C ATOM 1441 CG ASP A 92 3.503 -2.715 1.036 1.00 35.24 C ATOM 1442 OD1 ASP A 92 4.231 -2.510 0.041 1.00 22.41 O ATOM 1443 OD2 ASP A 92 2.506 -2.010 1.304 1.00 62.23 O ATOM 0 H ASP A 92 6.131 -2.931 1.391 1.00 3.00 H new ATOM 0 HA ASP A 92 4.450 -2.698 3.700 1.00 41.34 H new ATOM 0 HB2 ASP A 92 4.274 -4.687 1.395 1.00 22.12 H new ATOM 0 HB3 ASP A 92 2.977 -4.219 2.477 1.00 22.12 H new ATOM 1448 N GLY A 93 5.647 -4.407 5.147 1.00 40.12 N ATOM 1449 CA GLY A 93 6.155 -5.440 6.037 1.00 61.12 C ATOM 1450 C GLY A 93 5.100 -5.986 6.994 1.00 51.02 C ATOM 1451 O GLY A 93 4.310 -5.232 7.574 1.00 20.41 O ATOM 0 H GLY A 93 5.532 -3.495 5.589 1.00 40.12 H new ATOM 0 HA2 GLY A 93 6.553 -6.260 5.440 1.00 61.12 H new ATOM 0 HA3 GLY A 93 6.985 -5.035 6.616 1.00 61.12 H new ATOM 1455 N PHE A 94 5.089 -7.309 7.161 1.00 11.22 N ATOM 1456 CA PHE A 94 4.291 -7.991 8.192 1.00 60.45 C ATOM 1457 C PHE A 94 5.197 -8.297 9.386 1.00 65.11 C ATOM 1458 O PHE A 94 6.390 -8.563 9.212 1.00 12.25 O ATOM 1459 CB PHE A 94 3.673 -9.291 7.627 1.00 50.21 C ATOM 1460 CG PHE A 94 2.694 -9.054 6.480 1.00 22.21 C ATOM 1461 CD1 PHE A 94 3.138 -9.000 5.157 1.00 64.33 C ATOM 1462 CD2 PHE A 94 1.333 -8.878 6.726 1.00 51.10 C ATOM 1463 CE1 PHE A 94 2.251 -8.776 4.123 1.00 2.01 C ATOM 1464 CE2 PHE A 94 0.445 -8.654 5.690 1.00 31.03 C ATOM 1465 CZ PHE A 94 0.906 -8.604 4.387 1.00 55.45 C ATOM 0 H PHE A 94 5.636 -7.946 6.582 1.00 11.22 H new ATOM 0 HA PHE A 94 3.471 -7.347 8.511 1.00 60.45 H new ATOM 0 HB2 PHE A 94 4.474 -9.944 7.281 1.00 50.21 H new ATOM 0 HB3 PHE A 94 3.158 -9.818 8.430 1.00 50.21 H new ATOM 0 HD1 PHE A 94 4.187 -9.135 4.940 1.00 64.33 H new ATOM 0 HD2 PHE A 94 0.967 -8.917 7.741 1.00 51.10 H new ATOM 0 HE1 PHE A 94 2.610 -8.735 3.105 1.00 2.01 H new ATOM 0 HE2 PHE A 94 -0.606 -8.518 5.898 1.00 31.03 H new ATOM 0 HZ PHE A 94 0.214 -8.430 3.576 1.00 55.45 H new ATOM 1475 N ALA A 95 4.643 -8.259 10.594 1.00 23.44 N ATOM 1476 CA ALA A 95 5.411 -8.475 11.826 1.00 4.35 C ATOM 1477 C ALA A 95 4.734 -9.515 12.733 1.00 73.15 C ATOM 1478 O ALA A 95 3.508 -9.594 12.825 1.00 41.25 O ATOM 1479 CB ALA A 95 5.617 -7.145 12.567 1.00 62.41 C ATOM 0 H ALA A 95 3.652 -8.078 10.751 1.00 23.44 H new ATOM 0 HA ALA A 95 6.389 -8.871 11.551 1.00 4.35 H new ATOM 0 HB1 ALA A 95 6.188 -7.321 13.479 1.00 62.41 H new ATOM 0 HB2 ALA A 95 6.162 -6.452 11.926 1.00 62.41 H new ATOM 0 HB3 ALA A 95 4.648 -6.717 12.823 1.00 62.41 H new ATOM 1485 N ASP A 96 5.576 -10.344 13.344 1.00 53.12 N ATOM 1486 CA ASP A 96 5.234 -11.200 14.483 1.00 44.54 C ATOM 1487 C ASP A 96 4.546 -10.385 15.622 1.00 52.54 C ATOM 1488 O ASP A 96 4.722 -9.165 15.725 1.00 63.24 O ATOM 1489 CB ASP A 96 6.559 -11.888 14.940 1.00 64.42 C ATOM 1490 CG ASP A 96 6.571 -12.374 16.393 1.00 35.43 C ATOM 1491 OD1 ASP A 96 5.935 -13.404 16.702 1.00 11.24 O ATOM 1492 OD2 ASP A 96 7.214 -11.711 17.236 1.00 50.24 O ATOM 0 H ASP A 96 6.548 -10.444 13.052 1.00 53.12 H new ATOM 0 HA ASP A 96 4.503 -11.959 14.203 1.00 44.54 H new ATOM 0 HB2 ASP A 96 6.752 -12.739 14.287 1.00 64.42 H new ATOM 0 HB3 ASP A 96 7.381 -11.186 14.801 1.00 64.42 H new ATOM 1497 N GLU A 97 3.793 -11.089 16.486 1.00 1.31 N ATOM 1498 CA GLU A 97 2.978 -10.489 17.575 1.00 23.14 C ATOM 1499 C GLU A 97 3.792 -9.603 18.563 1.00 21.01 C ATOM 1500 O GLU A 97 3.213 -8.792 19.290 1.00 32.25 O ATOM 1501 CB GLU A 97 2.259 -11.629 18.345 1.00 5.20 C ATOM 1502 CG GLU A 97 3.209 -12.642 19.023 1.00 43.51 C ATOM 1503 CD GLU A 97 2.465 -13.800 19.708 1.00 2.35 C ATOM 1504 OE1 GLU A 97 2.200 -14.823 19.045 1.00 5.11 O ATOM 1505 OE2 GLU A 97 2.129 -13.681 20.906 1.00 30.30 O ATOM 0 H GLU A 97 3.728 -12.106 16.453 1.00 1.31 H new ATOM 0 HA GLU A 97 2.260 -9.817 17.105 1.00 23.14 H new ATOM 0 HB2 GLU A 97 1.616 -11.187 19.106 1.00 5.20 H new ATOM 0 HB3 GLU A 97 1.610 -12.165 17.652 1.00 5.20 H new ATOM 0 HG2 GLU A 97 3.891 -13.048 18.276 1.00 43.51 H new ATOM 0 HG3 GLU A 97 3.818 -12.122 19.762 1.00 43.51 H new ATOM 1512 N HIS A 98 5.129 -9.772 18.591 1.00 52.53 N ATOM 1513 CA HIS A 98 6.029 -8.976 19.464 1.00 43.04 C ATOM 1514 C HIS A 98 6.624 -7.748 18.717 1.00 21.34 C ATOM 1515 O HIS A 98 7.039 -6.772 19.353 1.00 75.33 O ATOM 1516 CB HIS A 98 7.159 -9.883 20.031 1.00 63.44 C ATOM 1517 CG HIS A 98 6.665 -11.159 20.679 1.00 60.11 C ATOM 1518 ND1 HIS A 98 5.950 -11.183 21.860 1.00 4.41 N ATOM 1519 CD2 HIS A 98 6.762 -12.454 20.289 1.00 3.11 C ATOM 1520 CE1 HIS A 98 5.634 -12.430 22.160 1.00 63.34 C ATOM 1521 NE2 HIS A 98 6.114 -13.216 21.224 1.00 40.43 N ATOM 0 H HIS A 98 5.617 -10.458 18.015 1.00 52.53 H new ATOM 0 HA HIS A 98 5.437 -8.588 20.293 1.00 43.04 H new ATOM 0 HB2 HIS A 98 7.843 -10.141 19.222 1.00 63.44 H new ATOM 0 HB3 HIS A 98 7.732 -9.315 20.764 1.00 63.44 H new ATOM 0 HD2 HIS A 98 7.260 -12.818 19.402 1.00 3.11 H new ATOM 0 HE1 HIS A 98 5.076 -12.749 23.028 1.00 63.34 H new ATOM 0 HE2 HIS A 98 6.019 -14.231 21.198 1.00 40.43 H new ATOM 1530 N GLY A 99 6.641 -7.799 17.364 1.00 34.11 N ATOM 1531 CA GLY A 99 7.159 -6.687 16.532 1.00 21.42 C ATOM 1532 C GLY A 99 8.230 -7.103 15.513 1.00 62.43 C ATOM 1533 O GLY A 99 8.670 -6.274 14.711 1.00 54.01 O ATOM 0 H GLY A 99 6.303 -8.597 16.826 1.00 34.11 H new ATOM 0 HA2 GLY A 99 6.326 -6.230 15.999 1.00 21.42 H new ATOM 0 HA3 GLY A 99 7.576 -5.923 17.188 1.00 21.42 H new ATOM 1537 N ALA A 100 8.624 -8.389 15.521 1.00 61.25 N ATOM 1538 CA ALA A 100 9.728 -8.910 14.674 1.00 53.33 C ATOM 1539 C ALA A 100 9.287 -9.086 13.196 1.00 41.01 C ATOM 1540 O ALA A 100 8.256 -9.693 12.954 1.00 34.12 O ATOM 1541 CB ALA A 100 10.223 -10.251 15.240 1.00 33.13 C ATOM 0 H ALA A 100 8.192 -9.100 16.111 1.00 61.25 H new ATOM 0 HA ALA A 100 10.538 -8.181 14.690 1.00 53.33 H new ATOM 0 HB1 ALA A 100 11.033 -10.632 14.618 1.00 33.13 H new ATOM 0 HB2 ALA A 100 10.585 -10.105 16.258 1.00 33.13 H new ATOM 0 HB3 ALA A 100 9.402 -10.968 15.247 1.00 33.13 H new ATOM 1547 N PRO A 101 10.067 -8.576 12.184 1.00 43.21 N ATOM 1548 CA PRO A 101 9.731 -8.753 10.735 1.00 31.25 C ATOM 1549 C PRO A 101 9.624 -10.254 10.307 1.00 31.02 C ATOM 1550 O PRO A 101 10.544 -11.045 10.553 1.00 31.55 O ATOM 1551 CB PRO A 101 10.899 -8.024 10.004 1.00 65.12 C ATOM 1552 CG PRO A 101 12.003 -7.935 11.021 1.00 51.42 C ATOM 1553 CD PRO A 101 11.313 -7.779 12.357 1.00 53.45 C ATOM 0 HA PRO A 101 8.749 -8.348 10.491 1.00 31.25 H new ATOM 0 HB2 PRO A 101 11.219 -8.579 9.122 1.00 65.12 H new ATOM 0 HB3 PRO A 101 10.595 -7.034 9.665 1.00 65.12 H new ATOM 0 HG2 PRO A 101 12.625 -8.830 11.003 1.00 51.42 H new ATOM 0 HG3 PRO A 101 12.657 -7.088 10.816 1.00 51.42 H new ATOM 0 HD2 PRO A 101 11.925 -8.159 13.175 1.00 53.45 H new ATOM 0 HD3 PRO A 101 11.096 -6.734 12.580 1.00 53.45 H new ATOM 1561 N VAL A 102 8.493 -10.626 9.670 1.00 71.25 N ATOM 1562 CA VAL A 102 8.211 -12.026 9.260 1.00 62.30 C ATOM 1563 C VAL A 102 9.015 -12.413 7.991 1.00 71.43 C ATOM 1564 O VAL A 102 8.706 -11.966 6.879 1.00 11.14 O ATOM 1565 CB VAL A 102 6.666 -12.256 9.025 1.00 40.33 C ATOM 1566 CG1 VAL A 102 6.348 -13.706 8.582 1.00 32.01 C ATOM 1567 CG2 VAL A 102 5.861 -11.901 10.292 1.00 24.14 C ATOM 0 H VAL A 102 7.751 -9.971 9.425 1.00 71.25 H new ATOM 0 HA VAL A 102 8.530 -12.673 10.077 1.00 62.30 H new ATOM 0 HB VAL A 102 6.368 -11.592 8.214 1.00 40.33 H new ATOM 0 HG11 VAL A 102 5.274 -13.814 8.433 1.00 32.01 H new ATOM 0 HG12 VAL A 102 6.867 -13.923 7.649 1.00 32.01 H new ATOM 0 HG13 VAL A 102 6.679 -14.403 9.352 1.00 32.01 H new ATOM 0 HG21 VAL A 102 4.800 -12.067 10.107 1.00 24.14 H new ATOM 0 HG22 VAL A 102 6.188 -12.531 11.119 1.00 24.14 H new ATOM 0 HG23 VAL A 102 6.026 -10.854 10.546 1.00 24.14 H new ATOM 1577 N ASP A 103 10.059 -13.244 8.184 1.00 20.15 N ATOM 1578 CA ASP A 103 10.953 -13.708 7.095 1.00 30.25 C ATOM 1579 C ASP A 103 10.243 -14.742 6.179 1.00 32.13 C ATOM 1580 O ASP A 103 10.609 -14.910 5.012 1.00 70.03 O ATOM 1581 CB ASP A 103 12.255 -14.292 7.704 1.00 45.54 C ATOM 1582 CG ASP A 103 13.314 -14.664 6.648 1.00 52.21 C ATOM 1583 OD1 ASP A 103 13.902 -13.751 6.035 1.00 2.32 O ATOM 1584 OD2 ASP A 103 13.563 -15.869 6.417 1.00 3.11 O ATOM 0 H ASP A 103 10.310 -13.615 9.100 1.00 20.15 H new ATOM 0 HA ASP A 103 11.211 -12.855 6.467 1.00 30.25 H new ATOM 0 HB2 ASP A 103 12.682 -13.565 8.395 1.00 45.54 H new ATOM 0 HB3 ASP A 103 12.008 -15.179 8.288 1.00 45.54 H new ATOM 1589 N GLU A 104 9.228 -15.433 6.741 1.00 42.10 N ATOM 1590 CA GLU A 104 8.323 -16.333 5.983 1.00 71.43 C ATOM 1591 C GLU A 104 7.634 -15.578 4.813 1.00 24.32 C ATOM 1592 O GLU A 104 7.569 -16.073 3.687 1.00 75.53 O ATOM 1593 CB GLU A 104 7.259 -16.913 6.961 1.00 21.20 C ATOM 1594 CG GLU A 104 6.182 -17.821 6.329 1.00 54.01 C ATOM 1595 CD GLU A 104 6.725 -19.147 5.762 1.00 33.51 C ATOM 1596 OE1 GLU A 104 6.999 -20.073 6.555 1.00 14.42 O ATOM 1597 OE2 GLU A 104 6.860 -19.278 4.527 1.00 64.00 O ATOM 0 H GLU A 104 9.010 -15.384 7.736 1.00 42.10 H new ATOM 0 HA GLU A 104 8.906 -17.145 5.548 1.00 71.43 H new ATOM 0 HB2 GLU A 104 7.777 -17.481 7.734 1.00 21.20 H new ATOM 0 HB3 GLU A 104 6.759 -16.081 7.457 1.00 21.20 H new ATOM 0 HG2 GLU A 104 5.424 -18.044 7.080 1.00 54.01 H new ATOM 0 HG3 GLU A 104 5.685 -17.273 5.528 1.00 54.01 H new ATOM 1604 N LEU A 105 7.148 -14.359 5.101 1.00 40.51 N ATOM 1605 CA LEU A 105 6.456 -13.498 4.113 1.00 75.20 C ATOM 1606 C LEU A 105 7.433 -12.574 3.354 1.00 62.02 C ATOM 1607 O LEU A 105 7.099 -12.071 2.272 1.00 74.14 O ATOM 1608 CB LEU A 105 5.360 -12.676 4.841 1.00 13.33 C ATOM 1609 CG LEU A 105 4.246 -13.531 5.527 1.00 4.13 C ATOM 1610 CD1 LEU A 105 3.189 -12.650 6.212 1.00 61.33 C ATOM 1611 CD2 LEU A 105 3.602 -14.500 4.523 1.00 34.10 C ATOM 0 H LEU A 105 7.222 -13.937 6.027 1.00 40.51 H new ATOM 0 HA LEU A 105 5.996 -14.138 3.360 1.00 75.20 H new ATOM 0 HB2 LEU A 105 5.836 -12.052 5.597 1.00 13.33 H new ATOM 0 HB3 LEU A 105 4.892 -12.004 4.122 1.00 13.33 H new ATOM 0 HG LEU A 105 4.722 -14.123 6.309 1.00 4.13 H new ATOM 0 HD11 LEU A 105 2.433 -13.283 6.676 1.00 61.33 H new ATOM 0 HD12 LEU A 105 3.667 -12.036 6.975 1.00 61.33 H new ATOM 0 HD13 LEU A 105 2.717 -12.005 5.471 1.00 61.33 H new ATOM 0 HD21 LEU A 105 2.830 -15.084 5.025 1.00 34.10 H new ATOM 0 HD22 LEU A 105 3.155 -13.934 3.706 1.00 34.10 H new ATOM 0 HD23 LEU A 105 4.363 -15.171 4.125 1.00 34.10 H new ATOM 1623 N GLY A 106 8.626 -12.351 3.933 1.00 13.43 N ATOM 1624 CA GLY A 106 9.664 -11.528 3.303 1.00 11.01 C ATOM 1625 C GLY A 106 9.372 -10.019 3.327 1.00 72.15 C ATOM 1626 O GLY A 106 8.523 -9.550 4.092 1.00 43.13 O ATOM 0 H GLY A 106 8.892 -12.733 4.841 1.00 13.43 H new ATOM 0 HA2 GLY A 106 10.613 -11.711 3.807 1.00 11.01 H new ATOM 0 HA3 GLY A 106 9.786 -11.847 2.268 1.00 11.01 H new ATOM 1630 N VAL A 107 10.102 -9.260 2.487 1.00 44.42 N ATOM 1631 CA VAL A 107 9.944 -7.790 2.355 1.00 43.11 C ATOM 1632 C VAL A 107 9.639 -7.421 0.878 1.00 23.35 C ATOM 1633 O VAL A 107 10.306 -7.912 -0.040 1.00 30.23 O ATOM 1634 CB VAL A 107 11.239 -7.025 2.841 1.00 73.11 C ATOM 1635 CG1 VAL A 107 11.060 -5.492 2.732 1.00 54.41 C ATOM 1636 CG2 VAL A 107 11.626 -7.424 4.290 1.00 51.52 C ATOM 0 H VAL A 107 10.822 -9.646 1.876 1.00 44.42 H new ATOM 0 HA VAL A 107 9.112 -7.483 2.988 1.00 43.11 H new ATOM 0 HB VAL A 107 12.054 -7.322 2.181 1.00 73.11 H new ATOM 0 HG11 VAL A 107 11.968 -4.994 3.074 1.00 54.41 H new ATOM 0 HG12 VAL A 107 10.866 -5.221 1.694 1.00 54.41 H new ATOM 0 HG13 VAL A 107 10.220 -5.179 3.351 1.00 54.41 H new ATOM 0 HG21 VAL A 107 12.521 -6.879 4.591 1.00 51.52 H new ATOM 0 HG22 VAL A 107 10.807 -7.179 4.966 1.00 51.52 H new ATOM 0 HG23 VAL A 107 11.823 -8.495 4.332 1.00 51.52 H new ATOM 1646 N THR A 108 8.612 -6.577 0.661 1.00 44.00 N ATOM 1647 CA THR A 108 8.227 -6.085 -0.689 1.00 30.11 C ATOM 1648 C THR A 108 8.193 -4.540 -0.722 1.00 65.44 C ATOM 1649 O THR A 108 7.625 -3.905 0.166 1.00 52.15 O ATOM 1650 CB THR A 108 6.850 -6.672 -1.157 1.00 73.13 C ATOM 1651 OG1 THR A 108 6.453 -6.080 -2.409 1.00 61.22 O ATOM 1652 CG2 THR A 108 5.728 -6.483 -0.119 1.00 53.22 C ATOM 0 H THR A 108 8.023 -6.214 1.410 1.00 44.00 H new ATOM 0 HA THR A 108 8.988 -6.435 -1.387 1.00 30.11 H new ATOM 0 HB THR A 108 6.999 -7.745 -1.279 1.00 73.13 H new ATOM 0 HG1 THR A 108 6.028 -6.760 -2.972 1.00 61.22 H new ATOM 0 HG21 THR A 108 4.802 -6.910 -0.503 1.00 53.22 H new ATOM 0 HG22 THR A 108 6.002 -6.985 0.809 1.00 53.22 H new ATOM 0 HG23 THR A 108 5.585 -5.420 0.073 1.00 53.22 H new ATOM 1660 N HIS A 109 8.809 -3.950 -1.760 1.00 11.40 N ATOM 1661 CA HIS A 109 9.002 -2.492 -1.876 1.00 4.32 C ATOM 1662 C HIS A 109 8.015 -1.878 -2.899 1.00 44.01 C ATOM 1663 O HIS A 109 8.226 -1.984 -4.111 1.00 33.43 O ATOM 1664 CB HIS A 109 10.465 -2.203 -2.294 1.00 52.53 C ATOM 1665 CG HIS A 109 10.881 -0.764 -2.133 1.00 3.41 C ATOM 1666 ND1 HIS A 109 11.351 -0.271 -0.948 1.00 3.31 N ATOM 1667 CD2 HIS A 109 10.893 0.291 -2.994 1.00 41.43 C ATOM 1668 CE1 HIS A 109 11.637 0.994 -1.082 1.00 64.40 C ATOM 1669 NE2 HIS A 109 11.375 1.366 -2.306 1.00 74.52 N ATOM 0 H HIS A 109 9.190 -4.473 -2.548 1.00 11.40 H new ATOM 0 HA HIS A 109 8.802 -2.032 -0.908 1.00 4.32 H new ATOM 0 HB2 HIS A 109 11.131 -2.830 -1.701 1.00 52.53 H new ATOM 0 HB3 HIS A 109 10.597 -2.493 -3.336 1.00 52.53 H new ATOM 0 HD2 HIS A 109 10.580 0.279 -4.028 1.00 41.43 H new ATOM 0 HE1 HIS A 109 12.028 1.633 -0.304 1.00 64.40 H new ATOM 0 HE2 HIS A 109 11.508 2.304 -2.685 1.00 74.52 H new ATOM 1678 N ALA A 110 6.958 -1.213 -2.408 1.00 13.42 N ATOM 1679 CA ALA A 110 5.911 -0.626 -3.272 1.00 74.43 C ATOM 1680 C ALA A 110 6.203 0.853 -3.602 1.00 23.35 C ATOM 1681 O ALA A 110 6.567 1.643 -2.721 1.00 42.13 O ATOM 1682 CB ALA A 110 4.537 -0.772 -2.627 1.00 3.13 C ATOM 0 H ALA A 110 6.801 -1.065 -1.411 1.00 13.42 H new ATOM 0 HA ALA A 110 5.916 -1.178 -4.212 1.00 74.43 H new ATOM 0 HB1 ALA A 110 3.781 -0.334 -3.278 1.00 3.13 H new ATOM 0 HB2 ALA A 110 4.317 -1.829 -2.475 1.00 3.13 H new ATOM 0 HB3 ALA A 110 4.530 -0.258 -1.666 1.00 3.13 H new ATOM 1688 N THR A 111 6.016 1.218 -4.883 1.00 42.24 N ATOM 1689 CA THR A 111 6.253 2.585 -5.388 1.00 73.40 C ATOM 1690 C THR A 111 4.911 3.225 -5.803 1.00 21.52 C ATOM 1691 O THR A 111 4.329 2.834 -6.810 1.00 13.35 O ATOM 1692 CB THR A 111 7.228 2.587 -6.625 1.00 5.23 C ATOM 1693 OG1 THR A 111 8.373 1.756 -6.352 1.00 21.13 O ATOM 1694 CG2 THR A 111 7.714 4.010 -6.964 1.00 50.30 C ATOM 0 H THR A 111 5.694 0.570 -5.602 1.00 42.24 H new ATOM 0 HA THR A 111 6.716 3.160 -4.586 1.00 73.40 H new ATOM 0 HB THR A 111 6.673 2.197 -7.478 1.00 5.23 H new ATOM 0 HG1 THR A 111 8.973 1.761 -7.127 1.00 21.13 H new ATOM 0 HG21 THR A 111 8.384 3.971 -7.823 1.00 50.30 H new ATOM 0 HG22 THR A 111 6.857 4.640 -7.201 1.00 50.30 H new ATOM 0 HG23 THR A 111 8.245 4.427 -6.108 1.00 50.30 H new ATOM 1702 N VAL A 112 4.432 4.208 -5.026 1.00 21.40 N ATOM 1703 CA VAL A 112 3.186 4.949 -5.320 1.00 31.23 C ATOM 1704 C VAL A 112 3.509 6.185 -6.186 1.00 53.20 C ATOM 1705 O VAL A 112 4.294 7.042 -5.784 1.00 25.54 O ATOM 1706 CB VAL A 112 2.469 5.398 -3.996 1.00 2.44 C ATOM 1707 CG1 VAL A 112 1.179 6.208 -4.287 1.00 63.40 C ATOM 1708 CG2 VAL A 112 2.172 4.171 -3.108 1.00 55.05 C ATOM 0 H VAL A 112 4.896 4.516 -4.172 1.00 21.40 H new ATOM 0 HA VAL A 112 2.512 4.286 -5.863 1.00 31.23 H new ATOM 0 HB VAL A 112 3.144 6.062 -3.455 1.00 2.44 H new ATOM 0 HG11 VAL A 112 0.713 6.500 -3.346 1.00 63.40 H new ATOM 0 HG12 VAL A 112 1.431 7.101 -4.859 1.00 63.40 H new ATOM 0 HG13 VAL A 112 0.485 5.593 -4.860 1.00 63.40 H new ATOM 0 HG21 VAL A 112 1.675 4.495 -2.194 1.00 55.05 H new ATOM 0 HG22 VAL A 112 1.524 3.480 -3.647 1.00 55.05 H new ATOM 0 HG23 VAL A 112 3.107 3.670 -2.855 1.00 55.05 H new ATOM 1718 N LYS A 113 2.926 6.240 -7.389 1.00 3.33 N ATOM 1719 CA LYS A 113 3.187 7.301 -8.381 1.00 34.01 C ATOM 1720 C LYS A 113 1.857 7.927 -8.844 1.00 23.14 C ATOM 1721 O LYS A 113 1.010 7.244 -9.431 1.00 33.53 O ATOM 1722 CB LYS A 113 3.976 6.678 -9.565 1.00 22.22 C ATOM 1723 CG LYS A 113 5.373 6.135 -9.154 1.00 35.32 C ATOM 1724 CD LYS A 113 5.999 5.188 -10.197 1.00 4.43 C ATOM 1725 CE LYS A 113 6.193 5.841 -11.569 1.00 44.34 C ATOM 1726 NZ LYS A 113 6.762 4.899 -12.562 1.00 74.03 N ATOM 0 H LYS A 113 2.252 5.544 -7.709 1.00 3.33 H new ATOM 0 HA LYS A 113 3.783 8.101 -7.943 1.00 34.01 H new ATOM 0 HB2 LYS A 113 3.390 5.866 -9.996 1.00 22.22 H new ATOM 0 HB3 LYS A 113 4.101 7.429 -10.345 1.00 22.22 H new ATOM 0 HG2 LYS A 113 6.046 6.976 -8.989 1.00 35.32 H new ATOM 0 HG3 LYS A 113 5.283 5.608 -8.204 1.00 35.32 H new ATOM 0 HD2 LYS A 113 6.964 4.840 -9.828 1.00 4.43 H new ATOM 0 HD3 LYS A 113 5.364 4.309 -10.307 1.00 4.43 H new ATOM 0 HE2 LYS A 113 5.235 6.213 -11.931 1.00 44.34 H new ATOM 0 HE3 LYS A 113 6.852 6.703 -11.469 1.00 44.34 H new ATOM 0 HZ1 LYS A 113 6.876 5.384 -13.475 1.00 74.03 H new ATOM 0 HZ2 LYS A 113 7.689 4.563 -12.230 1.00 74.03 H new ATOM 0 HZ3 LYS A 113 6.121 4.088 -12.678 1.00 74.03 H new ATOM 1740 N LEU A 114 1.671 9.221 -8.526 1.00 22.53 N ATOM 1741 CA LEU A 114 0.446 9.977 -8.856 1.00 53.23 C ATOM 1742 C LEU A 114 0.615 10.823 -10.138 1.00 13.24 C ATOM 1743 O LEU A 114 1.557 11.615 -10.257 1.00 74.11 O ATOM 1744 CB LEU A 114 0.041 10.874 -7.661 1.00 14.24 C ATOM 1745 CG LEU A 114 -0.293 10.119 -6.335 1.00 31.23 C ATOM 1746 CD1 LEU A 114 -0.629 11.092 -5.198 1.00 41.30 C ATOM 1747 CD2 LEU A 114 -1.438 9.120 -6.547 1.00 25.54 C ATOM 0 H LEU A 114 2.369 9.776 -8.030 1.00 22.53 H new ATOM 0 HA LEU A 114 -0.348 9.256 -9.050 1.00 53.23 H new ATOM 0 HB2 LEU A 114 0.852 11.575 -7.465 1.00 14.24 H new ATOM 0 HB3 LEU A 114 -0.828 11.465 -7.951 1.00 14.24 H new ATOM 0 HG LEU A 114 0.599 9.565 -6.043 1.00 31.23 H new ATOM 0 HD11 LEU A 114 -0.856 10.529 -4.293 1.00 41.30 H new ATOM 0 HD12 LEU A 114 0.224 11.746 -5.015 1.00 41.30 H new ATOM 0 HD13 LEU A 114 -1.494 11.693 -5.477 1.00 41.30 H new ATOM 0 HD21 LEU A 114 -1.652 8.607 -5.609 1.00 25.54 H new ATOM 0 HD22 LEU A 114 -2.329 9.653 -6.880 1.00 25.54 H new ATOM 0 HD23 LEU A 114 -1.148 8.389 -7.302 1.00 25.54 H new ATOM 1759 N GLU A 115 -0.316 10.640 -11.092 1.00 11.54 N ATOM 1760 CA GLU A 115 -0.348 11.402 -12.359 1.00 31.41 C ATOM 1761 C GLU A 115 -1.452 12.482 -12.321 1.00 12.41 C ATOM 1762 O GLU A 115 -2.625 12.152 -12.120 1.00 10.44 O ATOM 1763 CB GLU A 115 -0.599 10.462 -13.568 1.00 34.10 C ATOM 1764 CG GLU A 115 0.596 9.564 -13.949 1.00 60.05 C ATOM 1765 CD GLU A 115 0.899 8.408 -12.962 1.00 13.42 C ATOM 1766 OE1 GLU A 115 0.221 7.356 -13.030 1.00 53.52 O ATOM 1767 OE2 GLU A 115 1.844 8.531 -12.156 1.00 14.40 O ATOM 0 H GLU A 115 -1.070 9.958 -11.008 1.00 11.54 H new ATOM 0 HA GLU A 115 0.624 11.882 -12.475 1.00 31.41 H new ATOM 0 HB2 GLU A 115 -1.456 9.827 -13.344 1.00 34.10 H new ATOM 0 HB3 GLU A 115 -0.869 11.069 -14.432 1.00 34.10 H new ATOM 0 HG2 GLU A 115 0.409 9.138 -14.935 1.00 60.05 H new ATOM 0 HG3 GLU A 115 1.485 10.188 -14.035 1.00 60.05 H new ATOM 1774 N PRO A 116 -1.091 13.791 -12.512 1.00 42.40 N ATOM 1775 CA PRO A 116 -2.087 14.888 -12.559 1.00 45.51 C ATOM 1776 C PRO A 116 -2.977 14.838 -13.833 1.00 12.41 C ATOM 1777 O PRO A 116 -2.542 15.187 -14.941 1.00 0.24 O ATOM 1778 CB PRO A 116 -1.215 16.169 -12.505 1.00 34.03 C ATOM 1779 CG PRO A 116 0.119 15.757 -13.059 1.00 13.31 C ATOM 1780 CD PRO A 116 0.304 14.300 -12.672 1.00 64.43 C ATOM 0 HA PRO A 116 -2.806 14.829 -11.742 1.00 45.51 H new ATOM 0 HB2 PRO A 116 -1.656 16.972 -13.096 1.00 34.03 H new ATOM 0 HB3 PRO A 116 -1.121 16.539 -11.484 1.00 34.03 H new ATOM 0 HG2 PRO A 116 0.146 15.879 -14.142 1.00 13.31 H new ATOM 0 HG3 PRO A 116 0.919 16.374 -12.649 1.00 13.31 H new ATOM 0 HD2 PRO A 116 0.845 13.748 -13.441 1.00 64.43 H new ATOM 0 HD3 PRO A 116 0.874 14.201 -11.748 1.00 64.43 H new ATOM 1788 N LEU A 117 -4.225 14.369 -13.661 1.00 73.01 N ATOM 1789 CA LEU A 117 -5.227 14.309 -14.758 1.00 74.23 C ATOM 1790 C LEU A 117 -6.281 15.438 -14.580 1.00 11.25 C ATOM 1791 O LEU A 117 -7.440 15.300 -15.001 1.00 61.12 O ATOM 1792 CB LEU A 117 -5.896 12.901 -14.783 1.00 1.52 C ATOM 1793 CG LEU A 117 -4.936 11.664 -14.696 1.00 71.32 C ATOM 1794 CD1 LEU A 117 -5.730 10.341 -14.702 1.00 11.43 C ATOM 1795 CD2 LEU A 117 -3.864 11.681 -15.811 1.00 20.04 C ATOM 0 H LEU A 117 -4.573 14.021 -12.767 1.00 73.01 H new ATOM 0 HA LEU A 117 -4.731 14.465 -15.716 1.00 74.23 H new ATOM 0 HB2 LEU A 117 -6.600 12.844 -13.953 1.00 1.52 H new ATOM 0 HB3 LEU A 117 -6.477 12.817 -15.701 1.00 1.52 H new ATOM 0 HG LEU A 117 -4.407 11.734 -13.745 1.00 71.32 H new ATOM 0 HD11 LEU A 117 -5.038 9.501 -14.641 1.00 11.43 H new ATOM 0 HD12 LEU A 117 -6.405 10.318 -13.847 1.00 11.43 H new ATOM 0 HD13 LEU A 117 -6.309 10.268 -15.623 1.00 11.43 H new ATOM 0 HD21 LEU A 117 -3.222 10.806 -15.712 1.00 20.04 H new ATOM 0 HD22 LEU A 117 -4.352 11.664 -16.785 1.00 20.04 H new ATOM 0 HD23 LEU A 117 -3.262 12.585 -15.723 1.00 20.04 H new ATOM 1807 N GLU A 118 -5.838 16.549 -13.945 1.00 64.32 N ATOM 1808 CA GLU A 118 -6.632 17.777 -13.700 1.00 22.15 C ATOM 1809 C GLU A 118 -7.782 17.542 -12.686 1.00 62.32 C ATOM 1810 O GLU A 118 -7.618 17.780 -11.483 1.00 53.03 O ATOM 1811 CB GLU A 118 -7.145 18.389 -15.032 1.00 22.34 C ATOM 1812 CG GLU A 118 -7.904 19.721 -14.874 1.00 40.52 C ATOM 1813 CD GLU A 118 -8.344 20.331 -16.211 1.00 11.21 C ATOM 1814 OE1 GLU A 118 -9.232 19.755 -16.874 1.00 42.50 O ATOM 1815 OE2 GLU A 118 -7.797 21.380 -16.621 1.00 75.30 O ATOM 0 H GLU A 118 -4.889 16.618 -13.578 1.00 64.32 H new ATOM 0 HA GLU A 118 -5.965 18.506 -13.240 1.00 22.15 H new ATOM 0 HB2 GLU A 118 -6.295 18.547 -15.696 1.00 22.34 H new ATOM 0 HB3 GLU A 118 -7.801 17.668 -15.520 1.00 22.34 H new ATOM 0 HG2 GLU A 118 -8.783 19.559 -14.250 1.00 40.52 H new ATOM 0 HG3 GLU A 118 -7.268 20.434 -14.349 1.00 40.52 H new ATOM 1822 N ASN A 119 -8.942 17.054 -13.182 1.00 42.32 N ATOM 1823 CA ASN A 119 -10.114 16.733 -12.337 1.00 32.44 C ATOM 1824 C ASN A 119 -9.982 15.317 -11.734 1.00 40.10 C ATOM 1825 O ASN A 119 -10.750 14.934 -10.849 1.00 0.40 O ATOM 1826 CB ASN A 119 -11.412 16.851 -13.173 1.00 74.01 C ATOM 1827 CG ASN A 119 -11.635 18.251 -13.748 1.00 32.32 C ATOM 1828 OD1 ASN A 119 -11.216 19.255 -13.178 1.00 72.20 O ATOM 1829 ND2 ASN A 119 -12.295 18.327 -14.885 1.00 35.24 N ATOM 0 H ASN A 119 -9.091 16.873 -14.175 1.00 42.32 H new ATOM 0 HA ASN A 119 -10.159 17.446 -11.514 1.00 32.44 H new ATOM 0 HB2 ASN A 119 -11.376 16.131 -13.991 1.00 74.01 H new ATOM 0 HB3 ASN A 119 -12.264 16.582 -12.549 1.00 74.01 H new ATOM 0 HD21 ASN A 119 -12.469 19.236 -15.314 1.00 35.24 H new ATOM 0 HD22 ASN A 119 -12.632 17.477 -15.337 1.00 35.24 H new ATOM 1836 N ARG A 120 -9.007 14.544 -12.248 1.00 35.14 N ATOM 1837 CA ARG A 120 -8.691 13.186 -11.757 1.00 51.41 C ATOM 1838 C ARG A 120 -7.195 13.087 -11.387 1.00 73.23 C ATOM 1839 O ARG A 120 -6.418 14.018 -11.628 1.00 45.31 O ATOM 1840 CB ARG A 120 -9.021 12.127 -12.840 1.00 44.32 C ATOM 1841 CG ARG A 120 -10.479 12.134 -13.352 1.00 64.43 C ATOM 1842 CD ARG A 120 -10.682 11.135 -14.507 1.00 73.31 C ATOM 1843 NE ARG A 120 -9.766 11.403 -15.629 1.00 70.21 N ATOM 1844 CZ ARG A 120 -9.502 10.586 -16.620 1.00 74.10 C ATOM 1845 NH1 ARG A 120 -10.085 9.430 -16.726 1.00 3.35 N ATOM 1846 NH2 ARG A 120 -8.651 10.947 -17.521 1.00 44.22 N ATOM 0 H ARG A 120 -8.412 14.844 -13.020 1.00 35.14 H new ATOM 0 HA ARG A 120 -9.298 12.994 -10.872 1.00 51.41 H new ATOM 0 HB2 ARG A 120 -8.355 12.281 -13.689 1.00 44.32 H new ATOM 0 HB3 ARG A 120 -8.800 11.139 -12.437 1.00 44.32 H new ATOM 0 HG2 ARG A 120 -11.154 11.885 -12.533 1.00 64.43 H new ATOM 0 HG3 ARG A 120 -10.742 13.137 -13.688 1.00 64.43 H new ATOM 0 HD2 ARG A 120 -10.523 10.120 -14.142 1.00 73.31 H new ATOM 0 HD3 ARG A 120 -11.713 11.190 -14.858 1.00 73.31 H new ATOM 0 HE ARG A 120 -9.294 12.307 -15.636 1.00 70.21 H new ATOM 0 HH11 ARG A 120 -10.768 9.137 -16.027 1.00 3.35 H new ATOM 0 HH12 ARG A 120 -9.860 8.815 -17.508 1.00 3.35 H new ATOM 0 HH21 ARG A 120 -8.194 11.857 -17.456 1.00 44.22 H new ATOM 0 HH22 ARG A 120 -8.435 10.322 -18.298 1.00 44.22 H new ATOM 1860 N THR A 121 -6.808 11.954 -10.794 1.00 12.42 N ATOM 1861 CA THR A 121 -5.392 11.609 -10.526 1.00 63.41 C ATOM 1862 C THR A 121 -5.233 10.077 -10.531 1.00 25.23 C ATOM 1863 O THR A 121 -6.081 9.358 -9.997 1.00 61.54 O ATOM 1864 CB THR A 121 -4.872 12.205 -9.168 1.00 12.12 C ATOM 1865 OG1 THR A 121 -4.905 13.640 -9.222 1.00 43.31 O ATOM 1866 CG2 THR A 121 -3.436 11.759 -8.829 1.00 20.10 C ATOM 0 H THR A 121 -7.466 11.240 -10.481 1.00 12.42 H new ATOM 0 HA THR A 121 -4.786 12.053 -11.316 1.00 63.41 H new ATOM 0 HB THR A 121 -5.533 11.827 -8.388 1.00 12.12 H new ATOM 0 HG1 THR A 121 -5.274 13.927 -10.084 1.00 43.31 H new ATOM 0 HG21 THR A 121 -3.132 12.202 -7.881 1.00 20.10 H new ATOM 0 HG22 THR A 121 -3.402 10.672 -8.750 1.00 20.10 H new ATOM 0 HG23 THR A 121 -2.758 12.087 -9.617 1.00 20.10 H new ATOM 1874 N ARG A 122 -4.134 9.583 -11.121 1.00 74.31 N ATOM 1875 CA ARG A 122 -3.888 8.142 -11.285 1.00 70.24 C ATOM 1876 C ARG A 122 -2.842 7.644 -10.271 1.00 14.21 C ATOM 1877 O ARG A 122 -1.706 8.105 -10.278 1.00 71.14 O ATOM 1878 CB ARG A 122 -3.417 7.870 -12.731 1.00 31.42 C ATOM 1879 CG ARG A 122 -3.094 6.395 -13.040 1.00 25.04 C ATOM 1880 CD ARG A 122 -2.725 6.184 -14.514 1.00 11.34 C ATOM 1881 NE ARG A 122 -3.843 6.530 -15.419 1.00 71.34 N ATOM 1882 CZ ARG A 122 -3.755 7.263 -16.510 1.00 42.21 C ATOM 1883 NH1 ARG A 122 -2.622 7.764 -16.903 1.00 52.15 N ATOM 1884 NH2 ARG A 122 -4.826 7.490 -17.202 1.00 14.11 N ATOM 0 H ARG A 122 -3.391 10.171 -11.498 1.00 74.31 H new ATOM 0 HA ARG A 122 -4.814 7.598 -11.097 1.00 70.24 H new ATOM 0 HB2 ARG A 122 -4.190 8.210 -13.420 1.00 31.42 H new ATOM 0 HB3 ARG A 122 -2.529 8.471 -12.928 1.00 31.42 H new ATOM 0 HG2 ARG A 122 -2.269 6.065 -12.409 1.00 25.04 H new ATOM 0 HG3 ARG A 122 -3.955 5.775 -12.789 1.00 25.04 H new ATOM 0 HD2 ARG A 122 -1.856 6.794 -14.761 1.00 11.34 H new ATOM 0 HD3 ARG A 122 -2.440 5.144 -14.671 1.00 11.34 H new ATOM 0 HE ARG A 122 -4.765 6.168 -15.176 1.00 71.34 H new ATOM 0 HH11 ARG A 122 -1.774 7.593 -16.363 1.00 52.15 H new ATOM 0 HH12 ARG A 122 -2.581 8.328 -17.752 1.00 52.15 H new ATOM 0 HH21 ARG A 122 -5.720 7.103 -16.900 1.00 14.11 H new ATOM 0 HH22 ARG A 122 -4.775 8.056 -18.049 1.00 14.11 H new ATOM 1898 N MET A 123 -3.238 6.692 -9.408 1.00 54.45 N ATOM 1899 CA MET A 123 -2.342 6.090 -8.409 1.00 53.42 C ATOM 1900 C MET A 123 -1.845 4.713 -8.897 1.00 23.52 C ATOM 1901 O MET A 123 -2.596 3.733 -8.879 1.00 2.24 O ATOM 1902 CB MET A 123 -3.073 5.943 -7.049 1.00 42.21 C ATOM 1903 CG MET A 123 -2.164 5.491 -5.892 1.00 44.34 C ATOM 1904 SD MET A 123 -3.055 5.261 -4.343 1.00 63.32 S ATOM 1905 CE MET A 123 -4.111 3.874 -4.763 1.00 40.44 C ATOM 0 H MET A 123 -4.187 6.320 -9.385 1.00 54.45 H new ATOM 0 HA MET A 123 -1.482 6.746 -8.274 1.00 53.42 H new ATOM 0 HB2 MET A 123 -3.527 6.899 -6.788 1.00 42.21 H new ATOM 0 HB3 MET A 123 -3.885 5.224 -7.161 1.00 42.21 H new ATOM 0 HG2 MET A 123 -1.675 4.556 -6.166 1.00 44.34 H new ATOM 0 HG3 MET A 123 -1.377 6.231 -5.745 1.00 44.34 H new ATOM 0 HE1 MET A 123 -5.156 4.171 -4.671 1.00 40.44 H new ATOM 0 HE2 MET A 123 -3.911 3.562 -5.788 1.00 40.44 H new ATOM 0 HE3 MET A 123 -3.909 3.044 -4.085 1.00 40.44 H new ATOM 1915 N THR A 124 -0.582 4.647 -9.332 1.00 43.11 N ATOM 1916 CA THR A 124 0.052 3.389 -9.781 1.00 22.13 C ATOM 1917 C THR A 124 1.048 2.907 -8.708 1.00 1.11 C ATOM 1918 O THR A 124 2.056 3.574 -8.456 1.00 11.43 O ATOM 1919 CB THR A 124 0.786 3.583 -11.152 1.00 43.31 C ATOM 1920 OG1 THR A 124 -0.116 4.171 -12.112 1.00 1.54 O ATOM 1921 CG2 THR A 124 1.325 2.244 -11.709 1.00 34.40 C ATOM 0 H THR A 124 0.034 5.459 -9.385 1.00 43.11 H new ATOM 0 HA THR A 124 -0.726 2.638 -9.923 1.00 22.13 H new ATOM 0 HB THR A 124 1.635 4.245 -10.980 1.00 43.31 H new ATOM 0 HG1 THR A 124 0.129 5.108 -12.260 1.00 1.54 H new ATOM 0 HG21 THR A 124 1.827 2.421 -12.660 1.00 34.40 H new ATOM 0 HG22 THR A 124 2.032 1.813 -11.000 1.00 34.40 H new ATOM 0 HG23 THR A 124 0.496 1.553 -11.860 1.00 34.40 H new ATOM 1929 N ILE A 125 0.751 1.763 -8.058 1.00 71.13 N ATOM 1930 CA ILE A 125 1.587 1.209 -6.967 1.00 20.52 C ATOM 1931 C ILE A 125 2.325 -0.068 -7.446 1.00 22.21 C ATOM 1932 O ILE A 125 1.686 -1.093 -7.690 1.00 74.25 O ATOM 1933 CB ILE A 125 0.716 0.860 -5.702 1.00 45.23 C ATOM 1934 CG1 ILE A 125 -0.231 2.044 -5.316 1.00 34.23 C ATOM 1935 CG2 ILE A 125 1.624 0.472 -4.506 1.00 52.22 C ATOM 1936 CD1 ILE A 125 -1.160 1.757 -4.139 1.00 22.24 C ATOM 0 H ILE A 125 -0.071 1.198 -8.271 1.00 71.13 H new ATOM 0 HA ILE A 125 2.316 1.972 -6.692 1.00 20.52 H new ATOM 0 HB ILE A 125 0.090 0.004 -5.954 1.00 45.23 H new ATOM 0 HG12 ILE A 125 0.378 2.916 -5.077 1.00 34.23 H new ATOM 0 HG13 ILE A 125 -0.836 2.306 -6.184 1.00 34.23 H new ATOM 0 HG21 ILE A 125 1.005 0.234 -3.641 1.00 52.22 H new ATOM 0 HG22 ILE A 125 2.225 -0.398 -4.772 1.00 52.22 H new ATOM 0 HG23 ILE A 125 2.282 1.306 -4.263 1.00 52.22 H new ATOM 0 HD11 ILE A 125 -1.779 2.632 -3.942 1.00 22.24 H new ATOM 0 HD12 ILE A 125 -1.799 0.907 -4.379 1.00 22.24 H new ATOM 0 HD13 ILE A 125 -0.566 1.527 -3.255 1.00 22.24 H new ATOM 1948 N ILE A 126 3.667 -0.006 -7.568 1.00 34.14 N ATOM 1949 CA ILE A 126 4.491 -1.126 -8.096 1.00 4.10 C ATOM 1950 C ILE A 126 5.310 -1.783 -6.950 1.00 51.24 C ATOM 1951 O ILE A 126 6.299 -1.210 -6.486 1.00 44.20 O ATOM 1952 CB ILE A 126 5.488 -0.669 -9.252 1.00 61.44 C ATOM 1953 CG1 ILE A 126 4.802 0.252 -10.330 1.00 21.34 C ATOM 1954 CG2 ILE A 126 6.122 -1.911 -9.932 1.00 73.14 C ATOM 1955 CD1 ILE A 126 4.640 1.710 -9.940 1.00 64.23 C ATOM 0 H ILE A 126 4.213 0.815 -7.306 1.00 34.14 H new ATOM 0 HA ILE A 126 3.793 -1.846 -8.524 1.00 4.10 H new ATOM 0 HB ILE A 126 6.266 -0.070 -8.778 1.00 61.44 H new ATOM 0 HG12 ILE A 126 5.387 0.203 -11.249 1.00 21.34 H new ATOM 0 HG13 ILE A 126 3.817 -0.156 -10.557 1.00 21.34 H new ATOM 0 HG21 ILE A 126 6.801 -1.587 -10.720 1.00 73.14 H new ATOM 0 HG22 ILE A 126 6.675 -2.489 -9.191 1.00 73.14 H new ATOM 0 HG23 ILE A 126 5.336 -2.531 -10.363 1.00 73.14 H new ATOM 0 HD11 ILE A 126 4.157 2.253 -10.753 1.00 64.23 H new ATOM 0 HD12 ILE A 126 4.026 1.780 -9.042 1.00 64.23 H new ATOM 0 HD13 ILE A 126 5.620 2.145 -9.745 1.00 64.23 H new ATOM 1967 N SER A 127 4.890 -2.980 -6.500 1.00 40.02 N ATOM 1968 CA SER A 127 5.546 -3.722 -5.394 1.00 13.34 C ATOM 1969 C SER A 127 6.589 -4.727 -5.943 1.00 55.43 C ATOM 1970 O SER A 127 6.241 -5.712 -6.596 1.00 44.03 O ATOM 1971 CB SER A 127 4.477 -4.444 -4.532 1.00 61.34 C ATOM 1972 OG SER A 127 3.693 -5.338 -5.305 1.00 63.03 O ATOM 0 H SER A 127 4.083 -3.466 -6.891 1.00 40.02 H new ATOM 0 HA SER A 127 6.077 -3.009 -4.763 1.00 13.34 H new ATOM 0 HB2 SER A 127 4.968 -4.993 -3.728 1.00 61.34 H new ATOM 0 HB3 SER A 127 3.828 -3.704 -4.063 1.00 61.34 H new ATOM 0 HG SER A 127 3.932 -6.261 -5.080 1.00 63.03 H new ATOM 1978 N THR A 128 7.880 -4.433 -5.708 1.00 70.44 N ATOM 1979 CA THR A 128 9.002 -5.312 -6.089 1.00 43.22 C ATOM 1980 C THR A 128 9.333 -6.311 -4.958 1.00 34.33 C ATOM 1981 O THR A 128 9.505 -5.921 -3.805 1.00 24.14 O ATOM 1982 CB THR A 128 10.281 -4.481 -6.446 1.00 33.30 C ATOM 1983 OG1 THR A 128 10.663 -3.660 -5.329 1.00 14.23 O ATOM 1984 CG2 THR A 128 10.054 -3.591 -7.689 1.00 3.21 C ATOM 0 H THR A 128 8.177 -3.574 -5.246 1.00 70.44 H new ATOM 0 HA THR A 128 8.689 -5.868 -6.973 1.00 43.22 H new ATOM 0 HB THR A 128 11.080 -5.186 -6.675 1.00 33.30 H new ATOM 0 HG1 THR A 128 11.464 -3.145 -5.560 1.00 14.23 H new ATOM 0 HG21 THR A 128 10.963 -3.030 -7.906 1.00 3.21 H new ATOM 0 HG22 THR A 128 9.802 -4.218 -8.544 1.00 3.21 H new ATOM 0 HG23 THR A 128 9.237 -2.897 -7.495 1.00 3.21 H new ATOM 1992 N PHE A 129 9.432 -7.600 -5.304 1.00 20.52 N ATOM 1993 CA PHE A 129 9.704 -8.693 -4.341 1.00 2.25 C ATOM 1994 C PHE A 129 11.182 -9.143 -4.436 1.00 60.52 C ATOM 1995 O PHE A 129 11.872 -8.825 -5.416 1.00 73.14 O ATOM 1996 CB PHE A 129 8.747 -9.880 -4.633 1.00 4.15 C ATOM 1997 CG PHE A 129 7.265 -9.488 -4.633 1.00 3.51 C ATOM 1998 CD1 PHE A 129 6.517 -9.511 -3.460 1.00 14.22 C ATOM 1999 CD2 PHE A 129 6.627 -9.081 -5.808 1.00 31.33 C ATOM 2000 CE1 PHE A 129 5.183 -9.145 -3.461 1.00 64.23 C ATOM 2001 CE2 PHE A 129 5.297 -8.719 -5.804 1.00 62.43 C ATOM 2002 CZ PHE A 129 4.573 -8.750 -4.633 1.00 20.33 C ATOM 0 H PHE A 129 9.326 -7.924 -6.265 1.00 20.52 H new ATOM 0 HA PHE A 129 9.529 -8.335 -3.327 1.00 2.25 H new ATOM 0 HB2 PHE A 129 9.000 -10.310 -5.602 1.00 4.15 H new ATOM 0 HB3 PHE A 129 8.908 -10.658 -3.887 1.00 4.15 H new ATOM 0 HD1 PHE A 129 6.984 -9.819 -2.536 1.00 14.22 H new ATOM 0 HD2 PHE A 129 7.184 -9.050 -6.733 1.00 31.33 H new ATOM 0 HE1 PHE A 129 4.618 -9.169 -2.541 1.00 64.23 H new ATOM 0 HE2 PHE A 129 4.821 -8.410 -6.723 1.00 62.43 H new ATOM 0 HZ PHE A 129 3.531 -8.466 -4.632 1.00 20.33 H new ATOM 2012 N GLU A 130 11.663 -9.876 -3.415 1.00 51.02 N ATOM 2013 CA GLU A 130 13.048 -10.404 -3.396 1.00 60.04 C ATOM 2014 C GLU A 130 13.225 -11.569 -4.402 1.00 50.23 C ATOM 2015 O GLU A 130 14.244 -11.648 -5.095 1.00 22.43 O ATOM 2016 CB GLU A 130 13.454 -10.837 -1.961 1.00 13.50 C ATOM 2017 CG GLU A 130 13.445 -9.685 -0.923 1.00 63.53 C ATOM 2018 CD GLU A 130 14.364 -8.512 -1.318 1.00 64.21 C ATOM 2019 OE1 GLU A 130 15.601 -8.655 -1.215 1.00 41.44 O ATOM 2020 OE2 GLU A 130 13.859 -7.459 -1.769 1.00 44.41 O ATOM 0 H GLU A 130 11.115 -10.119 -2.589 1.00 51.02 H new ATOM 0 HA GLU A 130 13.714 -9.600 -3.708 1.00 60.04 H new ATOM 0 HB2 GLU A 130 12.775 -11.620 -1.624 1.00 13.50 H new ATOM 0 HB3 GLU A 130 14.452 -11.274 -1.994 1.00 13.50 H new ATOM 0 HG2 GLU A 130 12.426 -9.317 -0.805 1.00 63.53 H new ATOM 0 HG3 GLU A 130 13.757 -10.074 0.046 1.00 63.53 H new ATOM 2027 N SER A 131 12.209 -12.447 -4.493 1.00 54.31 N ATOM 2028 CA SER A 131 12.205 -13.578 -5.450 1.00 51.31 C ATOM 2029 C SER A 131 10.772 -14.110 -5.689 1.00 64.35 C ATOM 2030 O SER A 131 9.842 -13.781 -4.944 1.00 32.43 O ATOM 2031 CB SER A 131 13.139 -14.715 -4.972 1.00 50.01 C ATOM 2032 OG SER A 131 13.167 -15.798 -5.892 1.00 4.34 O ATOM 0 H SER A 131 11.372 -12.397 -3.912 1.00 54.31 H new ATOM 0 HA SER A 131 12.585 -13.203 -6.401 1.00 51.31 H new ATOM 0 HB2 SER A 131 14.148 -14.325 -4.839 1.00 50.01 H new ATOM 0 HB3 SER A 131 12.806 -15.074 -3.998 1.00 50.01 H new ATOM 0 HG SER A 131 13.768 -16.496 -5.558 1.00 4.34 H new ATOM 2038 N GLU A 132 10.625 -14.901 -6.772 1.00 41.12 N ATOM 2039 CA GLU A 132 9.355 -15.517 -7.208 1.00 4.14 C ATOM 2040 C GLU A 132 8.656 -16.328 -6.096 1.00 40.45 C ATOM 2041 O GLU A 132 7.454 -16.195 -5.924 1.00 35.21 O ATOM 2042 CB GLU A 132 9.612 -16.421 -8.448 1.00 32.02 C ATOM 2043 CG GLU A 132 8.390 -17.246 -8.913 1.00 31.00 C ATOM 2044 CD GLU A 132 8.673 -18.124 -10.144 1.00 33.45 C ATOM 2045 OE1 GLU A 132 9.343 -19.168 -9.993 1.00 22.45 O ATOM 2046 OE2 GLU A 132 8.245 -17.766 -11.267 1.00 11.15 O ATOM 0 H GLU A 132 11.407 -15.135 -7.383 1.00 41.12 H new ATOM 0 HA GLU A 132 8.679 -14.702 -7.466 1.00 4.14 H new ATOM 0 HB2 GLU A 132 9.945 -15.794 -9.275 1.00 32.02 H new ATOM 0 HB3 GLU A 132 10.429 -17.105 -8.218 1.00 32.02 H new ATOM 0 HG2 GLU A 132 8.058 -17.882 -8.092 1.00 31.00 H new ATOM 0 HG3 GLU A 132 7.569 -16.566 -9.143 1.00 31.00 H new ATOM 2053 N GLU A 133 9.416 -17.153 -5.352 1.00 74.25 N ATOM 2054 CA GLU A 133 8.859 -17.999 -4.257 1.00 4.31 C ATOM 2055 C GLU A 133 8.222 -17.153 -3.111 1.00 44.15 C ATOM 2056 O GLU A 133 7.220 -17.564 -2.510 1.00 73.33 O ATOM 2057 CB GLU A 133 9.942 -19.010 -3.739 1.00 42.14 C ATOM 2058 CG GLU A 133 11.379 -18.452 -3.527 1.00 14.40 C ATOM 2059 CD GLU A 133 11.529 -17.490 -2.329 1.00 12.14 C ATOM 2060 OE1 GLU A 133 11.519 -17.959 -1.173 1.00 35.44 O ATOM 2061 OE2 GLU A 133 11.672 -16.268 -2.540 1.00 54.14 O ATOM 0 H GLU A 133 10.422 -17.258 -5.483 1.00 74.25 H new ATOM 0 HA GLU A 133 8.037 -18.583 -4.671 1.00 4.31 H new ATOM 0 HB2 GLU A 133 9.595 -19.424 -2.792 1.00 42.14 H new ATOM 0 HB3 GLU A 133 10.000 -19.838 -4.446 1.00 42.14 H new ATOM 0 HG2 GLU A 133 12.063 -19.290 -3.390 1.00 14.40 H new ATOM 0 HG3 GLU A 133 11.689 -17.932 -4.433 1.00 14.40 H new ATOM 2068 N GLN A 134 8.779 -15.953 -2.859 1.00 54.54 N ATOM 2069 CA GLN A 134 8.199 -14.984 -1.902 1.00 2.13 C ATOM 2070 C GLN A 134 6.945 -14.346 -2.525 1.00 4.23 C ATOM 2071 O GLN A 134 5.926 -14.166 -1.867 1.00 64.44 O ATOM 2072 CB GLN A 134 9.217 -13.865 -1.549 1.00 11.40 C ATOM 2073 CG GLN A 134 8.720 -12.884 -0.452 1.00 60.03 C ATOM 2074 CD GLN A 134 9.273 -11.462 -0.562 1.00 50.24 C ATOM 2075 OE1 GLN A 134 10.358 -11.236 -1.070 1.00 3.13 O ATOM 2076 NE2 GLN A 134 8.522 -10.492 -0.071 1.00 41.50 N ATOM 0 H GLN A 134 9.636 -15.628 -3.307 1.00 54.54 H new ATOM 0 HA GLN A 134 7.941 -15.517 -0.987 1.00 2.13 H new ATOM 0 HB2 GLN A 134 10.147 -14.326 -1.216 1.00 11.40 H new ATOM 0 HB3 GLN A 134 9.447 -13.299 -2.452 1.00 11.40 H new ATOM 0 HG2 GLN A 134 7.632 -12.839 -0.491 1.00 60.03 H new ATOM 0 HG3 GLN A 134 8.987 -13.288 0.524 1.00 60.03 H new ATOM 0 HE21 GLN A 134 7.618 -10.709 0.349 1.00 41.50 H new ATOM 0 HE22 GLN A 134 8.846 -9.526 -0.112 1.00 41.50 H new ATOM 2085 N MET A 135 7.065 -14.024 -3.817 1.00 23.14 N ATOM 2086 CA MET A 135 5.990 -13.432 -4.631 1.00 71.41 C ATOM 2087 C MET A 135 4.750 -14.370 -4.728 1.00 31.13 C ATOM 2088 O MET A 135 3.609 -13.897 -4.816 1.00 21.25 O ATOM 2089 CB MET A 135 6.580 -13.085 -6.029 1.00 32.42 C ATOM 2090 CG MET A 135 5.579 -12.531 -7.033 1.00 10.32 C ATOM 2091 SD MET A 135 6.356 -11.732 -8.456 1.00 25.24 S ATOM 2092 CE MET A 135 4.991 -10.768 -9.123 1.00 22.32 C ATOM 0 H MET A 135 7.929 -14.169 -4.340 1.00 23.14 H new ATOM 0 HA MET A 135 5.625 -12.521 -4.156 1.00 71.41 H new ATOM 0 HB2 MET A 135 7.380 -12.357 -5.898 1.00 32.42 H new ATOM 0 HB3 MET A 135 7.032 -13.984 -6.448 1.00 32.42 H new ATOM 0 HG2 MET A 135 4.942 -13.342 -7.385 1.00 10.32 H new ATOM 0 HG3 MET A 135 4.932 -11.812 -6.531 1.00 10.32 H new ATOM 0 HE1 MET A 135 4.763 -11.110 -10.133 1.00 22.32 H new ATOM 0 HE2 MET A 135 4.113 -10.895 -8.490 1.00 22.32 H new ATOM 0 HE3 MET A 135 5.269 -9.714 -9.151 1.00 22.32 H new ATOM 2102 N GLN A 136 4.990 -15.700 -4.690 1.00 42.33 N ATOM 2103 CA GLN A 136 3.902 -16.705 -4.630 1.00 42.22 C ATOM 2104 C GLN A 136 3.272 -16.701 -3.220 1.00 10.44 C ATOM 2105 O GLN A 136 2.054 -16.698 -3.079 1.00 42.42 O ATOM 2106 CB GLN A 136 4.411 -18.138 -4.967 1.00 63.44 C ATOM 2107 CG GLN A 136 5.218 -18.295 -6.279 1.00 53.40 C ATOM 2108 CD GLN A 136 4.578 -17.640 -7.512 1.00 40.54 C ATOM 2109 OE1 GLN A 136 3.774 -18.244 -8.212 1.00 74.55 O ATOM 2110 NE2 GLN A 136 4.958 -16.402 -7.800 1.00 14.51 N ATOM 0 H GLN A 136 5.927 -16.103 -4.700 1.00 42.33 H new ATOM 0 HA GLN A 136 3.158 -16.432 -5.378 1.00 42.22 H new ATOM 0 HB2 GLN A 136 5.033 -18.482 -4.141 1.00 63.44 H new ATOM 0 HB3 GLN A 136 3.549 -18.803 -5.015 1.00 63.44 H new ATOM 0 HG2 GLN A 136 6.210 -17.868 -6.132 1.00 53.40 H new ATOM 0 HG3 GLN A 136 5.355 -19.358 -6.480 1.00 53.40 H new ATOM 0 HE21 GLN A 136 5.629 -15.922 -7.200 1.00 14.51 H new ATOM 0 HE22 GLN A 136 4.579 -15.930 -8.621 1.00 14.51 H new ATOM 2119 N LYS A 137 4.149 -16.689 -2.189 1.00 34.30 N ATOM 2120 CA LYS A 137 3.759 -16.651 -0.751 1.00 65.54 C ATOM 2121 C LYS A 137 2.832 -15.447 -0.419 1.00 53.03 C ATOM 2122 O LYS A 137 1.884 -15.580 0.361 1.00 5.23 O ATOM 2123 CB LYS A 137 5.045 -16.614 0.127 1.00 31.51 C ATOM 2124 CG LYS A 137 4.854 -16.455 1.669 1.00 71.10 C ATOM 2125 CD LYS A 137 4.460 -17.757 2.433 1.00 70.52 C ATOM 2126 CE LYS A 137 3.008 -18.211 2.209 1.00 14.53 C ATOM 2127 NZ LYS A 137 2.665 -19.389 3.031 1.00 55.33 N ATOM 0 H LYS A 137 5.159 -16.706 -2.329 1.00 34.30 H new ATOM 0 HA LYS A 137 3.186 -17.552 -0.532 1.00 65.54 H new ATOM 0 HB2 LYS A 137 5.602 -17.534 -0.051 1.00 31.51 H new ATOM 0 HB3 LYS A 137 5.669 -15.791 -0.222 1.00 31.51 H new ATOM 0 HG2 LYS A 137 5.781 -16.071 2.095 1.00 71.10 H new ATOM 0 HG3 LYS A 137 4.085 -15.703 1.847 1.00 71.10 H new ATOM 0 HD2 LYS A 137 5.130 -18.560 2.127 1.00 70.52 H new ATOM 0 HD3 LYS A 137 4.618 -17.599 3.500 1.00 70.52 H new ATOM 0 HE2 LYS A 137 2.331 -17.391 2.449 1.00 14.53 H new ATOM 0 HE3 LYS A 137 2.861 -18.448 1.155 1.00 14.53 H new ATOM 0 HZ1 LYS A 137 1.678 -19.663 2.850 1.00 55.33 H new ATOM 0 HZ2 LYS A 137 3.294 -20.179 2.785 1.00 55.33 H new ATOM 0 HZ3 LYS A 137 2.781 -19.155 4.038 1.00 55.33 H new ATOM 2141 N MET A 138 3.117 -14.285 -1.027 1.00 24.13 N ATOM 2142 CA MET A 138 2.299 -13.061 -0.862 1.00 25.51 C ATOM 2143 C MET A 138 0.867 -13.272 -1.433 1.00 21.32 C ATOM 2144 O MET A 138 -0.131 -12.898 -0.807 1.00 23.33 O ATOM 2145 CB MET A 138 3.009 -11.869 -1.560 1.00 72.34 C ATOM 2146 CG MET A 138 4.437 -11.541 -1.035 1.00 43.52 C ATOM 2147 SD MET A 138 4.497 -10.270 0.260 1.00 74.52 S ATOM 2148 CE MET A 138 3.809 -11.109 1.686 1.00 32.04 C ATOM 0 H MET A 138 3.918 -14.162 -1.647 1.00 24.13 H new ATOM 0 HA MET A 138 2.197 -12.838 0.200 1.00 25.51 H new ATOM 0 HB2 MET A 138 3.073 -12.081 -2.627 1.00 72.34 H new ATOM 0 HB3 MET A 138 2.386 -10.981 -1.448 1.00 72.34 H new ATOM 0 HG2 MET A 138 4.886 -12.456 -0.648 1.00 43.52 H new ATOM 0 HG3 MET A 138 5.052 -11.215 -1.874 1.00 43.52 H new ATOM 0 HE1 MET A 138 4.050 -10.549 2.589 1.00 32.04 H new ATOM 0 HE2 MET A 138 2.726 -11.178 1.580 1.00 32.04 H new ATOM 0 HE3 MET A 138 4.231 -12.111 1.757 1.00 32.04 H new ATOM 2158 N ALA A 139 0.791 -13.901 -2.623 1.00 33.31 N ATOM 2159 CA ALA A 139 -0.491 -14.278 -3.267 1.00 11.22 C ATOM 2160 C ALA A 139 -1.260 -15.356 -2.444 1.00 34.34 C ATOM 2161 O ALA A 139 -2.496 -15.347 -2.406 1.00 15.14 O ATOM 2162 CB ALA A 139 -0.225 -14.758 -4.707 1.00 10.51 C ATOM 0 H ALA A 139 1.613 -14.163 -3.167 1.00 33.31 H new ATOM 0 HA ALA A 139 -1.131 -13.396 -3.299 1.00 11.22 H new ATOM 0 HB1 ALA A 139 -1.168 -15.035 -5.178 1.00 10.51 H new ATOM 0 HB2 ALA A 139 0.244 -13.956 -5.277 1.00 10.51 H new ATOM 0 HB3 ALA A 139 0.437 -15.623 -4.686 1.00 10.51 H new ATOM 2168 N GLU A 140 -0.509 -16.264 -1.775 1.00 24.03 N ATOM 2169 CA GLU A 140 -1.082 -17.304 -0.872 1.00 34.23 C ATOM 2170 C GLU A 140 -1.811 -16.673 0.339 1.00 62.01 C ATOM 2171 O GLU A 140 -2.799 -17.219 0.837 1.00 33.21 O ATOM 2172 CB GLU A 140 0.035 -18.255 -0.356 1.00 3.53 C ATOM 2173 CG GLU A 140 0.723 -19.124 -1.433 1.00 21.32 C ATOM 2174 CD GLU A 140 -0.191 -20.208 -2.029 1.00 62.03 C ATOM 2175 OE1 GLU A 140 -0.366 -21.267 -1.382 1.00 53.10 O ATOM 2176 OE2 GLU A 140 -0.733 -20.018 -3.136 1.00 15.44 O ATOM 0 H GLU A 140 0.508 -16.300 -1.843 1.00 24.03 H new ATOM 0 HA GLU A 140 -1.807 -17.870 -1.456 1.00 34.23 H new ATOM 0 HB2 GLU A 140 0.797 -17.655 0.142 1.00 3.53 H new ATOM 0 HB3 GLU A 140 -0.394 -18.915 0.398 1.00 3.53 H new ATOM 0 HG2 GLU A 140 1.078 -18.478 -2.236 1.00 21.32 H new ATOM 0 HG3 GLU A 140 1.601 -19.601 -0.996 1.00 21.32 H new ATOM 2183 N MET A 141 -1.300 -15.519 0.801 1.00 64.14 N ATOM 2184 CA MET A 141 -1.883 -14.762 1.935 1.00 71.40 C ATOM 2185 C MET A 141 -3.112 -13.914 1.515 1.00 53.40 C ATOM 2186 O MET A 141 -3.703 -13.225 2.356 1.00 3.12 O ATOM 2187 CB MET A 141 -0.789 -13.844 2.533 1.00 13.04 C ATOM 2188 CG MET A 141 0.387 -14.598 3.162 1.00 24.01 C ATOM 2189 SD MET A 141 -0.070 -15.519 4.650 1.00 52.23 S ATOM 2190 CE MET A 141 -0.448 -14.196 5.810 1.00 73.41 C ATOM 0 H MET A 141 -0.470 -15.080 0.402 1.00 64.14 H new ATOM 0 HA MET A 141 -2.234 -15.480 2.676 1.00 71.40 H new ATOM 0 HB2 MET A 141 -0.409 -13.191 1.747 1.00 13.04 H new ATOM 0 HB3 MET A 141 -1.242 -13.203 3.289 1.00 13.04 H new ATOM 0 HG2 MET A 141 0.801 -15.289 2.428 1.00 24.01 H new ATOM 0 HG3 MET A 141 1.175 -13.887 3.410 1.00 24.01 H new ATOM 0 HE1 MET A 141 -0.447 -14.591 6.826 1.00 73.41 H new ATOM 0 HE2 MET A 141 0.304 -13.412 5.725 1.00 73.41 H new ATOM 0 HE3 MET A 141 -1.430 -13.782 5.582 1.00 73.41 H new ATOM 2200 N GLY A 142 -3.481 -13.956 0.219 1.00 34.21 N ATOM 2201 CA GLY A 142 -4.582 -13.135 -0.309 1.00 34.20 C ATOM 2202 C GLY A 142 -4.256 -11.634 -0.355 1.00 32.15 C ATOM 2203 O GLY A 142 -5.154 -10.798 -0.509 1.00 22.04 O ATOM 0 H GLY A 142 -3.032 -14.550 -0.478 1.00 34.21 H new ATOM 0 HA2 GLY A 142 -4.830 -13.476 -1.314 1.00 34.20 H new ATOM 0 HA3 GLY A 142 -5.468 -13.288 0.308 1.00 34.20 H new ATOM 2207 N MET A 143 -2.953 -11.308 -0.237 1.00 22.33 N ATOM 2208 CA MET A 143 -2.443 -9.922 -0.223 1.00 3.13 C ATOM 2209 C MET A 143 -2.588 -9.260 -1.614 1.00 41.15 C ATOM 2210 O MET A 143 -2.891 -8.078 -1.710 1.00 13.04 O ATOM 2211 CB MET A 143 -0.956 -9.933 0.225 1.00 24.51 C ATOM 2212 CG MET A 143 -0.274 -8.562 0.325 1.00 30.21 C ATOM 2213 SD MET A 143 1.485 -8.723 0.713 1.00 13.53 S ATOM 2214 CE MET A 143 2.021 -7.015 0.792 1.00 64.22 C ATOM 0 H MET A 143 -2.217 -12.008 -0.148 1.00 22.33 H new ATOM 0 HA MET A 143 -3.032 -9.334 0.481 1.00 3.13 H new ATOM 0 HB2 MET A 143 -0.894 -10.420 1.198 1.00 24.51 H new ATOM 0 HB3 MET A 143 -0.391 -10.548 -0.475 1.00 24.51 H new ATOM 0 HG2 MET A 143 -0.392 -8.026 -0.617 1.00 30.21 H new ATOM 0 HG3 MET A 143 -0.764 -7.966 1.095 1.00 30.21 H new ATOM 0 HE1 MET A 143 3.073 -6.976 1.076 1.00 64.22 H new ATOM 0 HE2 MET A 143 1.891 -6.547 -0.184 1.00 64.22 H new ATOM 0 HE3 MET A 143 1.425 -6.481 1.532 1.00 64.22 H new ATOM 2224 N GLU A 144 -2.382 -10.055 -2.677 1.00 23.52 N ATOM 2225 CA GLU A 144 -2.474 -9.599 -4.086 1.00 72.10 C ATOM 2226 C GLU A 144 -3.885 -9.033 -4.435 1.00 70.24 C ATOM 2227 O GLU A 144 -4.018 -7.881 -4.871 1.00 64.22 O ATOM 2228 CB GLU A 144 -2.108 -10.790 -5.011 1.00 2.42 C ATOM 2229 CG GLU A 144 -2.240 -10.530 -6.522 1.00 31.33 C ATOM 2230 CD GLU A 144 -1.952 -11.776 -7.371 1.00 53.04 C ATOM 2231 OE1 GLU A 144 -0.825 -12.304 -7.297 1.00 72.44 O ATOM 2232 OE2 GLU A 144 -2.849 -12.225 -8.123 1.00 63.25 O ATOM 0 H GLU A 144 -2.144 -11.043 -2.588 1.00 23.52 H new ATOM 0 HA GLU A 144 -1.774 -8.777 -4.236 1.00 72.10 H new ATOM 0 HB2 GLU A 144 -1.080 -11.086 -4.801 1.00 2.42 H new ATOM 0 HB3 GLU A 144 -2.743 -11.637 -4.750 1.00 2.42 H new ATOM 0 HG2 GLU A 144 -3.248 -10.175 -6.738 1.00 31.33 H new ATOM 0 HG3 GLU A 144 -1.553 -9.734 -6.810 1.00 31.33 H new ATOM 2239 N GLU A 145 -4.925 -9.859 -4.220 1.00 3.30 N ATOM 2240 CA GLU A 145 -6.330 -9.495 -4.507 1.00 2.35 C ATOM 2241 C GLU A 145 -6.895 -8.528 -3.438 1.00 44.03 C ATOM 2242 O GLU A 145 -7.542 -7.524 -3.769 1.00 1.43 O ATOM 2243 CB GLU A 145 -7.190 -10.777 -4.586 1.00 41.22 C ATOM 2244 CG GLU A 145 -8.671 -10.537 -4.922 1.00 42.31 C ATOM 2245 CD GLU A 145 -9.480 -11.836 -5.056 1.00 40.12 C ATOM 2246 OE1 GLU A 145 -10.004 -12.338 -4.042 1.00 1.24 O ATOM 2247 OE2 GLU A 145 -9.593 -12.368 -6.183 1.00 62.24 O ATOM 0 H GLU A 145 -4.818 -10.800 -3.842 1.00 3.30 H new ATOM 0 HA GLU A 145 -6.363 -8.977 -5.465 1.00 2.35 H new ATOM 0 HB2 GLU A 145 -6.763 -11.439 -5.340 1.00 41.22 H new ATOM 0 HB3 GLU A 145 -7.128 -11.299 -3.631 1.00 41.22 H new ATOM 0 HG2 GLU A 145 -9.117 -9.917 -4.144 1.00 42.31 H new ATOM 0 HG3 GLU A 145 -8.739 -9.977 -5.854 1.00 42.31 H new ATOM 2254 N GLY A 146 -6.620 -8.843 -2.156 1.00 1.24 N ATOM 2255 CA GLY A 146 -7.084 -8.030 -1.018 1.00 22.00 C ATOM 2256 C GLY A 146 -6.543 -6.589 -1.008 1.00 0.43 C ATOM 2257 O GLY A 146 -7.172 -5.689 -0.433 1.00 52.01 O ATOM 0 H GLY A 146 -6.075 -9.661 -1.884 1.00 1.24 H new ATOM 0 HA2 GLY A 146 -8.173 -7.997 -1.030 1.00 22.00 H new ATOM 0 HA3 GLY A 146 -6.791 -8.522 -0.091 1.00 22.00 H new ATOM 2261 N MET A 147 -5.380 -6.373 -1.657 1.00 54.04 N ATOM 2262 CA MET A 147 -4.786 -5.030 -1.825 1.00 13.14 C ATOM 2263 C MET A 147 -5.682 -4.135 -2.715 1.00 31.41 C ATOM 2264 O MET A 147 -5.887 -2.964 -2.398 1.00 4.13 O ATOM 2265 CB MET A 147 -3.366 -5.144 -2.425 1.00 73.03 C ATOM 2266 CG MET A 147 -2.578 -3.834 -2.493 1.00 70.54 C ATOM 2267 SD MET A 147 -0.922 -4.069 -3.177 1.00 21.35 S ATOM 2268 CE MET A 147 -0.317 -2.383 -3.203 1.00 40.11 C ATOM 0 H MET A 147 -4.828 -7.121 -2.078 1.00 54.04 H new ATOM 0 HA MET A 147 -4.714 -4.563 -0.843 1.00 13.14 H new ATOM 0 HB2 MET A 147 -2.796 -5.861 -1.834 1.00 73.03 H new ATOM 0 HB3 MET A 147 -3.447 -5.553 -3.432 1.00 73.03 H new ATOM 0 HG2 MET A 147 -3.123 -3.115 -3.105 1.00 70.54 H new ATOM 0 HG3 MET A 147 -2.499 -3.407 -1.493 1.00 70.54 H new ATOM 0 HE1 MET A 147 0.697 -2.367 -3.602 1.00 40.11 H new ATOM 0 HE2 MET A 147 -0.965 -1.774 -3.833 1.00 40.11 H new ATOM 0 HE3 MET A 147 -0.315 -1.981 -2.190 1.00 40.11 H new ATOM 2278 N ARG A 148 -6.226 -4.705 -3.821 1.00 41.32 N ATOM 2279 CA ARG A 148 -7.189 -3.978 -4.692 1.00 63.22 C ATOM 2280 C ARG A 148 -8.487 -3.637 -3.945 1.00 31.33 C ATOM 2281 O ARG A 148 -9.067 -2.596 -4.196 1.00 60.43 O ATOM 2282 CB ARG A 148 -7.540 -4.749 -5.992 1.00 44.21 C ATOM 2283 CG ARG A 148 -6.405 -4.793 -7.048 1.00 12.35 C ATOM 2284 CD ARG A 148 -5.636 -6.123 -7.066 1.00 10.13 C ATOM 2285 NE ARG A 148 -6.482 -7.236 -7.532 1.00 21.24 N ATOM 2286 CZ ARG A 148 -6.052 -8.399 -7.966 1.00 33.44 C ATOM 2287 NH1 ARG A 148 -4.793 -8.713 -7.938 1.00 45.41 N ATOM 2288 NH2 ARG A 148 -6.907 -9.270 -8.387 1.00 51.44 N ATOM 0 H ARG A 148 -6.018 -5.655 -4.129 1.00 41.32 H new ATOM 0 HA ARG A 148 -6.678 -3.058 -4.974 1.00 63.22 H new ATOM 0 HB2 ARG A 148 -7.813 -5.771 -5.729 1.00 44.21 H new ATOM 0 HB3 ARG A 148 -8.420 -4.290 -6.443 1.00 44.21 H new ATOM 0 HG2 ARG A 148 -6.831 -4.615 -8.035 1.00 12.35 H new ATOM 0 HG3 ARG A 148 -5.705 -3.980 -6.852 1.00 12.35 H new ATOM 0 HD2 ARG A 148 -4.765 -6.031 -7.715 1.00 10.13 H new ATOM 0 HD3 ARG A 148 -5.265 -6.342 -6.065 1.00 10.13 H new ATOM 0 HE ARG A 148 -7.491 -7.090 -7.516 1.00 21.24 H new ATOM 0 HH11 ARG A 148 -4.110 -8.050 -7.572 1.00 45.41 H new ATOM 0 HH12 ARG A 148 -4.487 -9.623 -8.281 1.00 45.41 H new ATOM 0 HH21 ARG A 148 -7.903 -9.051 -8.380 1.00 51.44 H new ATOM 0 HH22 ARG A 148 -6.586 -10.177 -8.727 1.00 51.44 H new ATOM 2302 N GLU A 149 -8.927 -4.527 -3.039 1.00 35.21 N ATOM 2303 CA GLU A 149 -10.125 -4.283 -2.189 1.00 54.44 C ATOM 2304 C GLU A 149 -9.920 -3.068 -1.249 1.00 62.34 C ATOM 2305 O GLU A 149 -10.852 -2.290 -1.009 1.00 13.22 O ATOM 2306 CB GLU A 149 -10.469 -5.554 -1.370 1.00 5.33 C ATOM 2307 CG GLU A 149 -10.840 -6.780 -2.231 1.00 21.12 C ATOM 2308 CD GLU A 149 -11.262 -7.999 -1.394 1.00 23.42 C ATOM 2309 OE1 GLU A 149 -12.296 -7.913 -0.685 1.00 5.24 O ATOM 2310 OE2 GLU A 149 -10.575 -9.047 -1.442 1.00 64.12 O ATOM 0 H GLU A 149 -8.476 -5.426 -2.870 1.00 35.21 H new ATOM 0 HA GLU A 149 -10.961 -4.050 -2.848 1.00 54.44 H new ATOM 0 HB2 GLU A 149 -9.616 -5.810 -0.742 1.00 5.33 H new ATOM 0 HB3 GLU A 149 -11.300 -5.328 -0.702 1.00 5.33 H new ATOM 0 HG2 GLU A 149 -11.653 -6.511 -2.905 1.00 21.12 H new ATOM 0 HG3 GLU A 149 -9.987 -7.051 -2.853 1.00 21.12 H new ATOM 2317 N ALA A 150 -8.686 -2.923 -0.727 1.00 54.04 N ATOM 2318 CA ALA A 150 -8.271 -1.738 0.065 1.00 71.52 C ATOM 2319 C ALA A 150 -8.271 -0.455 -0.807 1.00 41.42 C ATOM 2320 O ALA A 150 -8.739 0.608 -0.383 1.00 12.32 O ATOM 2321 CB ALA A 150 -6.879 -1.976 0.674 1.00 70.04 C ATOM 0 H ALA A 150 -7.948 -3.618 -0.839 1.00 54.04 H new ATOM 0 HA ALA A 150 -8.991 -1.593 0.870 1.00 71.52 H new ATOM 0 HB1 ALA A 150 -6.581 -1.102 1.254 1.00 70.04 H new ATOM 0 HB2 ALA A 150 -6.911 -2.850 1.325 1.00 70.04 H new ATOM 0 HB3 ALA A 150 -6.157 -2.145 -0.125 1.00 70.04 H new ATOM 2327 N ILE A 151 -7.751 -0.592 -2.040 1.00 12.12 N ATOM 2328 CA ILE A 151 -7.657 0.511 -3.023 1.00 74.03 C ATOM 2329 C ILE A 151 -9.054 0.937 -3.572 1.00 11.32 C ATOM 2330 O ILE A 151 -9.284 2.107 -3.891 1.00 2.41 O ATOM 2331 CB ILE A 151 -6.660 0.116 -4.184 1.00 72.41 C ATOM 2332 CG1 ILE A 151 -5.219 -0.104 -3.605 1.00 12.15 C ATOM 2333 CG2 ILE A 151 -6.638 1.166 -5.322 1.00 24.40 C ATOM 2334 CD1 ILE A 151 -4.189 -0.617 -4.603 1.00 40.11 C ATOM 0 H ILE A 151 -7.381 -1.476 -2.388 1.00 12.12 H new ATOM 0 HA ILE A 151 -7.259 1.387 -2.510 1.00 74.03 H new ATOM 0 HB ILE A 151 -7.018 -0.816 -4.621 1.00 72.41 H new ATOM 0 HG12 ILE A 151 -4.863 0.840 -3.193 1.00 12.15 H new ATOM 0 HG13 ILE A 151 -5.282 -0.810 -2.777 1.00 12.15 H new ATOM 0 HG21 ILE A 151 -5.938 0.850 -6.096 1.00 24.40 H new ATOM 0 HG22 ILE A 151 -7.636 1.259 -5.751 1.00 24.40 H new ATOM 0 HG23 ILE A 151 -6.324 2.130 -4.922 1.00 24.40 H new ATOM 0 HD11 ILE A 151 -3.227 -0.736 -4.104 1.00 40.11 H new ATOM 0 HD12 ILE A 151 -4.514 -1.579 -4.999 1.00 40.11 H new ATOM 0 HD13 ILE A 151 -4.088 0.096 -5.421 1.00 40.11 H new ATOM 2346 N GLU A 152 -9.992 -0.015 -3.630 1.00 34.02 N ATOM 2347 CA GLU A 152 -11.391 0.258 -4.035 1.00 21.21 C ATOM 2348 C GLU A 152 -12.208 0.864 -2.880 1.00 51.12 C ATOM 2349 O GLU A 152 -13.267 1.469 -3.105 1.00 1.14 O ATOM 2350 CB GLU A 152 -12.044 -1.036 -4.598 1.00 5.11 C ATOM 2351 CG GLU A 152 -11.447 -1.533 -5.944 1.00 2.32 C ATOM 2352 CD GLU A 152 -11.630 -0.557 -7.130 1.00 72.51 C ATOM 2353 OE1 GLU A 152 -11.054 0.554 -7.097 1.00 0.34 O ATOM 2354 OE2 GLU A 152 -12.312 -0.909 -8.120 1.00 35.53 O ATOM 0 H GLU A 152 -9.813 -0.993 -3.401 1.00 34.02 H new ATOM 0 HA GLU A 152 -11.383 1.005 -4.829 1.00 21.21 H new ATOM 0 HB2 GLU A 152 -11.944 -1.829 -3.857 1.00 5.11 H new ATOM 0 HB3 GLU A 152 -13.111 -0.859 -4.733 1.00 5.11 H new ATOM 0 HG2 GLU A 152 -10.382 -1.721 -5.806 1.00 2.32 H new ATOM 0 HG3 GLU A 152 -11.909 -2.486 -6.201 1.00 2.32 H new ATOM 2361 N GLN A 153 -11.693 0.724 -1.643 1.00 72.32 N ATOM 2362 CA GLN A 153 -12.272 1.380 -0.463 1.00 31.13 C ATOM 2363 C GLN A 153 -11.756 2.843 -0.355 1.00 33.20 C ATOM 2364 O GLN A 153 -12.347 3.650 0.350 1.00 4.32 O ATOM 2365 CB GLN A 153 -11.968 0.559 0.823 1.00 33.24 C ATOM 2366 CG GLN A 153 -12.839 0.949 2.037 1.00 75.13 C ATOM 2367 CD GLN A 153 -12.655 0.031 3.251 1.00 12.25 C ATOM 2368 OE1 GLN A 153 -13.330 -0.985 3.383 1.00 40.42 O ATOM 2369 NE2 GLN A 153 -11.784 0.404 4.157 1.00 62.13 N ATOM 0 H GLN A 153 -10.870 0.157 -1.438 1.00 72.32 H new ATOM 0 HA GLN A 153 -13.356 1.419 -0.572 1.00 31.13 H new ATOM 0 HB2 GLN A 153 -12.114 -0.500 0.609 1.00 33.24 H new ATOM 0 HB3 GLN A 153 -10.918 0.689 1.085 1.00 33.24 H new ATOM 0 HG2 GLN A 153 -12.603 1.972 2.328 1.00 75.13 H new ATOM 0 HG3 GLN A 153 -13.887 0.936 1.739 1.00 75.13 H new ATOM 0 HE21 GLN A 153 -11.237 1.254 4.019 1.00 62.13 H new ATOM 0 HE22 GLN A 153 -11.653 -0.156 5.000 1.00 62.13 H new ATOM 2378 N ILE A 154 -10.655 3.180 -1.081 1.00 54.44 N ATOM 2379 CA ILE A 154 -10.186 4.591 -1.242 1.00 51.01 C ATOM 2380 C ILE A 154 -11.218 5.414 -2.041 1.00 53.41 C ATOM 2381 O ILE A 154 -11.464 6.593 -1.741 1.00 64.12 O ATOM 2382 CB ILE A 154 -8.811 4.677 -1.991 1.00 4.00 C ATOM 2383 CG1 ILE A 154 -7.737 3.854 -1.243 1.00 74.22 C ATOM 2384 CG2 ILE A 154 -8.349 6.152 -2.185 1.00 64.42 C ATOM 2385 CD1 ILE A 154 -6.419 3.731 -1.978 1.00 23.20 C ATOM 0 H ILE A 154 -10.074 2.496 -1.565 1.00 54.44 H new ATOM 0 HA ILE A 154 -10.066 4.993 -0.236 1.00 51.01 H new ATOM 0 HB ILE A 154 -8.947 4.250 -2.985 1.00 4.00 H new ATOM 0 HG12 ILE A 154 -7.556 4.314 -0.271 1.00 74.22 H new ATOM 0 HG13 ILE A 154 -8.129 2.854 -1.055 1.00 74.22 H new ATOM 0 HG21 ILE A 154 -7.393 6.168 -2.708 1.00 64.42 H new ATOM 0 HG22 ILE A 154 -9.092 6.692 -2.772 1.00 64.42 H new ATOM 0 HG23 ILE A 154 -8.238 6.630 -1.211 1.00 64.42 H new ATOM 0 HD11 ILE A 154 -5.724 3.139 -1.383 1.00 23.20 H new ATOM 0 HD12 ILE A 154 -6.582 3.242 -2.938 1.00 23.20 H new ATOM 0 HD13 ILE A 154 -6.000 4.724 -2.143 1.00 23.20 H new ATOM 2397 N ASP A 155 -11.809 4.769 -3.065 1.00 22.34 N ATOM 2398 CA ASP A 155 -12.871 5.369 -3.894 1.00 24.43 C ATOM 2399 C ASP A 155 -14.118 5.657 -3.012 1.00 34.12 C ATOM 2400 O ASP A 155 -14.828 6.642 -3.224 1.00 0.40 O ATOM 2401 CB ASP A 155 -13.203 4.412 -5.078 1.00 64.04 C ATOM 2402 CG ASP A 155 -13.966 5.101 -6.225 1.00 62.34 C ATOM 2403 OD1 ASP A 155 -15.209 5.218 -6.147 1.00 12.02 O ATOM 2404 OD2 ASP A 155 -13.316 5.530 -7.210 1.00 65.21 O ATOM 0 H ASP A 155 -11.564 3.818 -3.340 1.00 22.34 H new ATOM 0 HA ASP A 155 -12.536 6.318 -4.314 1.00 24.43 H new ATOM 0 HB2 ASP A 155 -12.275 3.993 -5.468 1.00 64.04 H new ATOM 0 HB3 ASP A 155 -13.797 3.578 -4.706 1.00 64.04 H new ATOM 2409 N ALA A 156 -14.342 4.777 -2.007 1.00 10.31 N ATOM 2410 CA ALA A 156 -15.353 4.990 -0.944 1.00 13.11 C ATOM 2411 C ALA A 156 -14.955 6.148 0.007 1.00 5.32 C ATOM 2412 O ALA A 156 -15.808 6.939 0.390 1.00 32.14 O ATOM 2413 CB ALA A 156 -15.574 3.696 -0.137 1.00 53.51 C ATOM 0 H ALA A 156 -13.828 3.901 -1.911 1.00 10.31 H new ATOM 0 HA ALA A 156 -16.285 5.267 -1.436 1.00 13.11 H new ATOM 0 HB1 ALA A 156 -16.319 3.873 0.638 1.00 53.51 H new ATOM 0 HB2 ALA A 156 -15.924 2.907 -0.803 1.00 53.51 H new ATOM 0 HB3 ALA A 156 -14.635 3.391 0.325 1.00 53.51 H new ATOM 2419 N VAL A 157 -13.647 6.241 0.358 1.00 0.24 N ATOM 2420 CA VAL A 157 -13.112 7.273 1.295 1.00 71.25 C ATOM 2421 C VAL A 157 -13.328 8.710 0.748 1.00 10.35 C ATOM 2422 O VAL A 157 -13.683 9.624 1.503 1.00 60.34 O ATOM 2423 CB VAL A 157 -11.582 7.012 1.629 1.00 70.21 C ATOM 2424 CG1 VAL A 157 -10.911 8.215 2.342 1.00 1.55 C ATOM 2425 CG2 VAL A 157 -11.409 5.731 2.488 1.00 30.34 C ATOM 0 H VAL A 157 -12.932 5.606 0.003 1.00 0.24 H new ATOM 0 HA VAL A 157 -13.675 7.189 2.224 1.00 71.25 H new ATOM 0 HB VAL A 157 -11.081 6.875 0.671 1.00 70.21 H new ATOM 0 HG11 VAL A 157 -9.866 7.981 2.546 1.00 1.55 H new ATOM 0 HG12 VAL A 157 -10.967 9.095 1.701 1.00 1.55 H new ATOM 0 HG13 VAL A 157 -11.428 8.416 3.281 1.00 1.55 H new ATOM 0 HG21 VAL A 157 -10.351 5.576 2.702 1.00 30.34 H new ATOM 0 HG22 VAL A 157 -11.956 5.844 3.424 1.00 30.34 H new ATOM 0 HG23 VAL A 157 -11.798 4.872 1.942 1.00 30.34 H new ATOM 2435 N LEU A 158 -13.153 8.887 -0.571 1.00 51.32 N ATOM 2436 CA LEU A 158 -13.375 10.192 -1.244 1.00 23.20 C ATOM 2437 C LEU A 158 -14.890 10.443 -1.480 1.00 64.41 C ATOM 2438 O LEU A 158 -15.313 11.587 -1.661 1.00 31.01 O ATOM 2439 CB LEU A 158 -12.588 10.244 -2.585 1.00 32.01 C ATOM 2440 CG LEU A 158 -11.027 10.162 -2.468 1.00 64.31 C ATOM 2441 CD1 LEU A 158 -10.351 10.164 -3.857 1.00 2.23 C ATOM 2442 CD2 LEU A 158 -10.460 11.292 -1.574 1.00 42.41 C ATOM 0 H LEU A 158 -12.857 8.143 -1.202 1.00 51.32 H new ATOM 0 HA LEU A 158 -13.004 10.985 -0.594 1.00 23.20 H new ATOM 0 HB2 LEU A 158 -12.929 9.423 -3.216 1.00 32.01 H new ATOM 0 HB3 LEU A 158 -12.846 11.170 -3.099 1.00 32.01 H new ATOM 0 HG LEU A 158 -10.794 9.212 -1.987 1.00 64.31 H new ATOM 0 HD11 LEU A 158 -9.269 10.106 -3.735 1.00 2.23 H new ATOM 0 HD12 LEU A 158 -10.698 9.305 -4.432 1.00 2.23 H new ATOM 0 HD13 LEU A 158 -10.608 11.082 -4.385 1.00 2.23 H new ATOM 0 HD21 LEU A 158 -9.375 11.201 -1.517 1.00 42.41 H new ATOM 0 HD22 LEU A 158 -10.721 12.260 -2.001 1.00 42.41 H new ATOM 0 HD23 LEU A 158 -10.884 11.211 -0.573 1.00 42.41 H new ATOM 2454 N SER A 159 -15.693 9.359 -1.466 1.00 62.12 N ATOM 2455 CA SER A 159 -17.166 9.424 -1.655 1.00 30.42 C ATOM 2456 C SER A 159 -17.944 9.494 -0.310 1.00 43.33 C ATOM 2457 O SER A 159 -19.155 9.741 -0.314 1.00 73.53 O ATOM 2458 CB SER A 159 -17.633 8.194 -2.475 1.00 75.55 C ATOM 2459 OG SER A 159 -19.034 8.210 -2.721 1.00 61.24 O ATOM 0 H SER A 159 -15.343 8.412 -1.324 1.00 62.12 H new ATOM 0 HA SER A 159 -17.386 10.346 -2.194 1.00 30.42 H new ATOM 0 HB2 SER A 159 -17.100 8.170 -3.425 1.00 75.55 H new ATOM 0 HB3 SER A 159 -17.371 7.282 -1.939 1.00 75.55 H new ATOM 0 HG SER A 159 -19.480 8.751 -2.037 1.00 61.24 H new