USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0574 (180deg=-0.0526) USER MOD Single : A 3 SER OG : rot 43:sc= 0.841 USER MOD Single : A 4 THR OG1 : rot -38:sc= 1.19 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -115:sc= -0.842 (180deg=-4.01!) USER MOD Single : A 14 THR OG1 : rot 94:sc= 0.679 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0312 F(o=-2.3!,f=-0.031) USER MOD Single : A 21 MET CE :methyl -134:sc=-0.00331 (180deg=-2.49!) USER MOD Single : A 23 THR OG1 : rot -140:sc= 0.085 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 157:sc= -0.0464 (180deg=-0.481) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -130:sc= -0.0178 USER MOD Single : A 52 SER OG : rot -43:sc= 1.1 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.532 9.719 6.342 1.00 0.00 N ATOM 2 CA MET A 1 -22.836 10.988 5.980 1.00 0.00 C ATOM 3 C MET A 1 -21.317 10.892 6.176 1.00 0.00 C ATOM 4 O MET A 1 -20.560 11.558 5.470 1.00 0.00 O ATOM 5 CB MET A 1 -23.412 12.135 6.825 1.00 0.00 C ATOM 6 CG MET A 1 -23.148 12.009 8.320 1.00 0.00 C ATOM 7 SD MET A 1 -24.580 11.398 9.228 1.00 0.00 S ATOM 8 CE MET A 1 -23.952 11.419 10.905 1.00 0.00 C ATOM 0 H1 MET A 1 -24.268 9.513 5.636 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.844 8.939 6.362 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.970 9.819 7.280 1.00 0.00 H new ATOM 0 HA MET A 1 -23.007 11.180 4.921 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.991 13.077 6.472 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.488 12.186 6.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.306 11.336 8.481 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.859 12.982 8.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.725 11.066 11.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.081 10.768 10.976 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.667 12.436 11.174 1.00 0.00 H new ATOM 20 N VAL A 2 -20.872 10.072 7.135 1.00 0.00 N ATOM 21 CA VAL A 2 -19.443 9.918 7.402 1.00 0.00 C ATOM 22 C VAL A 2 -18.905 8.610 6.824 1.00 0.00 C ATOM 23 O VAL A 2 -19.309 7.526 7.245 1.00 0.00 O ATOM 24 CB VAL A 2 -19.138 9.960 8.915 1.00 0.00 C ATOM 25 CG1 VAL A 2 -17.634 9.998 9.159 1.00 0.00 C ATOM 26 CG2 VAL A 2 -19.824 11.151 9.574 1.00 0.00 C ATOM 0 H VAL A 2 -21.478 9.510 7.733 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.946 10.758 6.916 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.534 9.051 9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.440 10.027 10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -17.173 9.108 8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.212 10.886 8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.594 11.159 10.640 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.467 12.075 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.902 11.072 9.436 1.00 0.00 H new ATOM 36 N SER A 3 -17.987 8.725 5.860 1.00 0.00 N ATOM 37 CA SER A 3 -17.382 7.554 5.223 1.00 0.00 C ATOM 38 C SER A 3 -16.165 7.960 4.385 1.00 0.00 C ATOM 39 O SER A 3 -16.262 8.098 3.163 1.00 0.00 O ATOM 40 CB SER A 3 -18.412 6.835 4.346 1.00 0.00 C ATOM 41 OG SER A 3 -19.073 5.809 5.068 1.00 0.00 O ATOM 0 H SER A 3 -17.647 9.618 5.504 1.00 0.00 H new ATOM 0 HA SER A 3 -17.049 6.873 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.144 7.553 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.917 6.408 3.474 1.00 0.00 H new ATOM 0 HG SER A 3 -19.306 6.136 5.962 1.00 0.00 H new ATOM 47 N THR A 4 -15.027 8.159 5.057 1.00 0.00 N ATOM 48 CA THR A 4 -13.775 8.566 4.398 1.00 0.00 C ATOM 49 C THR A 4 -13.959 9.867 3.607 1.00 0.00 C ATOM 50 O THR A 4 -14.999 10.523 3.704 1.00 0.00 O ATOM 51 CB THR A 4 -13.232 7.454 3.476 1.00 0.00 C ATOM 52 OG1 THR A 4 -13.865 7.479 2.204 1.00 0.00 O ATOM 53 CG2 THR A 4 -13.388 6.059 4.046 1.00 0.00 C ATOM 0 H THR A 4 -14.944 8.044 6.067 1.00 0.00 H new ATOM 0 HA THR A 4 -13.043 8.742 5.186 1.00 0.00 H new ATOM 0 HB THR A 4 -12.168 7.670 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.814 7.699 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.984 5.331 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.848 5.989 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.444 5.852 4.216 1.00 0.00 H new ATOM 61 N TYR A 5 -12.942 10.239 2.827 1.00 0.00 N ATOM 62 CA TYR A 5 -12.997 11.460 2.025 1.00 0.00 C ATOM 63 C TYR A 5 -13.057 11.141 0.530 1.00 0.00 C ATOM 64 O TYR A 5 -13.805 11.777 -0.214 1.00 0.00 O ATOM 65 CB TYR A 5 -11.791 12.356 2.327 1.00 0.00 C ATOM 66 CG TYR A 5 -12.166 13.708 2.898 1.00 0.00 C ATOM 67 CD1 TYR A 5 -12.657 13.829 4.193 1.00 0.00 C ATOM 68 CD2 TYR A 5 -12.025 14.865 2.140 1.00 0.00 C ATOM 69 CE1 TYR A 5 -12.995 15.063 4.716 1.00 0.00 C ATOM 70 CE2 TYR A 5 -12.362 16.102 2.657 1.00 0.00 C ATOM 71 CZ TYR A 5 -12.847 16.197 3.944 1.00 0.00 C ATOM 72 OH TYR A 5 -13.180 17.429 4.463 1.00 0.00 O ATOM 0 H TYR A 5 -12.073 9.713 2.735 1.00 0.00 H new ATOM 0 HA TYR A 5 -13.909 11.993 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -11.136 11.843 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -11.221 12.504 1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.776 12.944 4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -11.646 14.796 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -13.373 15.139 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -12.246 16.991 2.055 1.00 0.00 H new ATOM 0 HH TYR A 5 -13.015 18.123 3.791 1.00 0.00 H new ATOM 82 N ASP A 6 -12.267 10.157 0.097 1.00 0.00 N ATOM 83 CA ASP A 6 -12.234 9.758 -1.311 1.00 0.00 C ATOM 84 C ASP A 6 -11.766 8.309 -1.465 1.00 0.00 C ATOM 85 O ASP A 6 -11.402 7.657 -0.483 1.00 0.00 O ATOM 86 CB ASP A 6 -11.311 10.689 -2.108 1.00 0.00 C ATOM 87 CG ASP A 6 -12.045 11.884 -2.688 1.00 0.00 C ATOM 88 OD1 ASP A 6 -12.996 11.677 -3.472 1.00 0.00 O ATOM 89 OD2 ASP A 6 -11.666 13.027 -2.360 1.00 0.00 O ATOM 0 H ASP A 6 -11.642 9.622 0.700 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.248 9.835 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.508 11.040 -1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.845 10.126 -2.917 1.00 0.00 H new ATOM 94 N GLU A 7 -11.776 7.814 -2.707 1.00 0.00 N ATOM 95 CA GLU A 7 -11.350 6.446 -2.996 1.00 0.00 C ATOM 96 C GLU A 7 -10.342 6.413 -4.148 1.00 0.00 C ATOM 97 O GLU A 7 -10.566 7.023 -5.196 1.00 0.00 O ATOM 98 CB GLU A 7 -12.562 5.569 -3.331 1.00 0.00 C ATOM 99 CG GLU A 7 -13.333 6.020 -4.564 1.00 0.00 C ATOM 100 CD GLU A 7 -14.822 5.749 -4.452 1.00 0.00 C ATOM 101 OE1 GLU A 7 -15.530 6.574 -3.838 1.00 0.00 O ATOM 102 OE2 GLU A 7 -15.277 4.713 -4.979 1.00 0.00 O ATOM 0 H GLU A 7 -12.075 8.343 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.862 6.051 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.225 4.544 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.238 5.560 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.172 7.087 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.939 5.508 -5.442 1.00 0.00 H new ATOM 109 N ILE A 8 -9.230 5.701 -3.943 1.00 0.00 N ATOM 110 CA ILE A 8 -8.182 5.589 -4.960 1.00 0.00 C ATOM 111 C ILE A 8 -7.783 4.131 -5.194 1.00 0.00 C ATOM 112 O ILE A 8 -7.927 3.289 -4.308 1.00 0.00 O ATOM 113 CB ILE A 8 -6.922 6.397 -4.566 1.00 0.00 C ATOM 114 CG1 ILE A 8 -7.305 7.811 -4.118 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.938 6.460 -5.727 1.00 0.00 C ATOM 116 CD1 ILE A 8 -8.005 8.620 -5.190 1.00 0.00 C ATOM 0 H ILE A 8 -9.033 5.193 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.598 5.999 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.440 5.887 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.954 7.743 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.405 8.340 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.060 7.032 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.636 5.450 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.413 6.943 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.245 9.609 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.350 8.720 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.924 8.114 -5.486 1.00 0.00 H new ATOM 128 N GLU A 9 -7.277 3.845 -6.392 1.00 0.00 N ATOM 129 CA GLU A 9 -6.852 2.491 -6.746 1.00 0.00 C ATOM 130 C GLU A 9 -5.330 2.368 -6.716 1.00 0.00 C ATOM 131 O GLU A 9 -4.616 3.329 -7.009 1.00 0.00 O ATOM 132 CB GLU A 9 -7.371 2.112 -8.137 1.00 0.00 C ATOM 133 CG GLU A 9 -8.881 2.243 -8.298 1.00 0.00 C ATOM 134 CD GLU A 9 -9.291 2.673 -9.696 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.704 2.163 -10.676 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.204 3.516 -9.812 1.00 0.00 O ATOM 0 H GLU A 9 -7.151 4.533 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.272 1.808 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.882 2.743 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.082 1.083 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.350 1.287 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.257 2.967 -7.576 1.00 0.00 H new ATOM 143 N ILE A 10 -4.843 1.174 -6.368 1.00 0.00 N ATOM 144 CA ILE A 10 -3.402 0.914 -6.308 1.00 0.00 C ATOM 145 C ILE A 10 -2.735 1.165 -7.659 1.00 0.00 C ATOM 146 O ILE A 10 -1.579 1.585 -7.718 1.00 0.00 O ATOM 147 CB ILE A 10 -3.091 -0.530 -5.852 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.790 -1.558 -6.750 1.00 0.00 C ATOM 149 CG2 ILE A 10 -3.499 -0.722 -4.403 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.292 -2.974 -6.545 1.00 0.00 C ATOM 0 H ILE A 10 -5.425 0.373 -6.124 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.998 1.607 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.016 -0.689 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.863 -1.527 -6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.644 -1.277 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.275 -1.743 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.947 -0.023 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.568 -0.538 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.829 -3.649 -7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.225 -3.020 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.463 -3.274 -5.511 1.00 0.00 H new ATOM 162 N GLU A 11 -3.474 0.908 -8.740 1.00 0.00 N ATOM 163 CA GLU A 11 -2.958 1.111 -10.093 1.00 0.00 C ATOM 164 C GLU A 11 -2.574 2.575 -10.326 1.00 0.00 C ATOM 165 O GLU A 11 -1.658 2.867 -11.096 1.00 0.00 O ATOM 166 CB GLU A 11 -3.997 0.677 -11.129 1.00 0.00 C ATOM 167 CG GLU A 11 -3.990 -0.817 -11.410 1.00 0.00 C ATOM 168 CD GLU A 11 -5.378 -1.363 -11.681 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.150 -1.529 -10.713 1.00 0.00 O ATOM 170 OE2 GLU A 11 -5.692 -1.625 -12.861 1.00 0.00 O ATOM 0 H GLU A 11 -4.432 0.559 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.063 0.499 -10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.988 0.968 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.816 1.214 -12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.350 -1.019 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.557 -1.342 -10.559 1.00 0.00 H new ATOM 177 N ASP A 12 -3.274 3.489 -9.651 1.00 0.00 N ATOM 178 CA ASP A 12 -3.003 4.917 -9.780 1.00 0.00 C ATOM 179 C ASP A 12 -2.131 5.418 -8.624 1.00 0.00 C ATOM 180 O ASP A 12 -2.334 6.520 -8.109 1.00 0.00 O ATOM 181 CB ASP A 12 -4.319 5.702 -9.828 1.00 0.00 C ATOM 182 CG ASP A 12 -4.227 6.955 -10.682 1.00 0.00 C ATOM 183 OD1 ASP A 12 -3.132 7.556 -10.749 1.00 0.00 O ATOM 184 OD2 ASP A 12 -5.251 7.337 -11.284 1.00 0.00 O ATOM 0 H ASP A 12 -4.034 3.262 -9.009 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.458 5.077 -10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.107 5.058 -10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.608 5.979 -8.814 1.00 0.00 H new ATOM 189 N MET A 13 -1.159 4.600 -8.222 1.00 0.00 N ATOM 190 CA MET A 13 -0.254 4.955 -7.134 1.00 0.00 C ATOM 191 C MET A 13 1.195 4.673 -7.527 1.00 0.00 C ATOM 192 O MET A 13 1.475 3.694 -8.221 1.00 0.00 O ATOM 193 CB MET A 13 -0.619 4.178 -5.866 1.00 0.00 C ATOM 194 CG MET A 13 -1.547 4.938 -4.932 1.00 0.00 C ATOM 195 SD MET A 13 -2.706 3.855 -4.074 1.00 0.00 S ATOM 196 CE MET A 13 -2.693 4.568 -2.430 1.00 0.00 C ATOM 0 H MET A 13 -0.979 3.685 -8.636 1.00 0.00 H new ATOM 0 HA MET A 13 -0.357 6.022 -6.935 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.093 3.238 -6.150 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.295 3.925 -5.329 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.952 5.482 -4.198 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.104 5.680 -5.504 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.273 3.850 -1.725 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.086 5.473 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.712 4.815 -2.132 1.00 0.00 H new ATOM 206 N THR A 14 2.112 5.538 -7.087 1.00 0.00 N ATOM 207 CA THR A 14 3.532 5.377 -7.407 1.00 0.00 C ATOM 208 C THR A 14 4.082 4.073 -6.834 1.00 0.00 C ATOM 209 O THR A 14 4.044 3.852 -5.622 1.00 0.00 O ATOM 210 CB THR A 14 4.355 6.558 -6.879 1.00 0.00 C ATOM 211 OG1 THR A 14 3.610 7.764 -6.932 1.00 0.00 O ATOM 212 CG2 THR A 14 5.638 6.780 -7.649 1.00 0.00 C ATOM 0 H THR A 14 1.898 6.353 -6.511 1.00 0.00 H new ATOM 0 HA THR A 14 3.616 5.347 -8.493 1.00 0.00 H new ATOM 0 HB THR A 14 4.602 6.296 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.171 7.916 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.174 7.630 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.261 5.888 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.405 6.982 -8.694 1.00 0.00 H new ATOM 220 N PHE A 15 4.598 3.221 -7.715 1.00 0.00 N ATOM 221 CA PHE A 15 5.167 1.940 -7.304 1.00 0.00 C ATOM 222 C PHE A 15 6.642 2.095 -6.947 1.00 0.00 C ATOM 223 O PHE A 15 7.436 2.591 -7.748 1.00 0.00 O ATOM 224 CB PHE A 15 5.003 0.881 -8.405 1.00 0.00 C ATOM 225 CG PHE A 15 5.399 1.350 -9.781 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.703 1.205 -10.232 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.465 1.934 -10.623 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.066 1.635 -11.494 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.824 2.365 -11.886 1.00 0.00 C ATOM 230 CZ PHE A 15 6.125 2.215 -12.323 1.00 0.00 C ATOM 0 H PHE A 15 4.634 3.394 -8.720 1.00 0.00 H new ATOM 0 HA PHE A 15 4.623 1.605 -6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.602 0.008 -8.145 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.962 0.558 -8.430 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.443 0.751 -9.589 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.445 2.053 -10.288 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.085 1.518 -11.832 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.087 2.819 -12.531 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.406 2.550 -13.310 1.00 0.00 H new ATOM 240 N GLU A 16 7.000 1.667 -5.740 1.00 0.00 N ATOM 241 CA GLU A 16 8.379 1.753 -5.273 1.00 0.00 C ATOM 242 C GLU A 16 8.981 0.357 -5.131 1.00 0.00 C ATOM 243 O GLU A 16 8.952 -0.237 -4.051 1.00 0.00 O ATOM 244 CB GLU A 16 8.445 2.493 -3.935 1.00 0.00 C ATOM 245 CG GLU A 16 8.024 3.951 -4.022 1.00 0.00 C ATOM 246 CD GLU A 16 8.942 4.868 -3.236 1.00 0.00 C ATOM 247 OE1 GLU A 16 10.020 5.218 -3.758 1.00 0.00 O ATOM 248 OE2 GLU A 16 8.583 5.234 -2.098 1.00 0.00 O ATOM 0 H GLU A 16 6.353 1.257 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 16 8.957 2.311 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.806 1.982 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.464 2.440 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.014 4.261 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.005 4.055 -3.648 1.00 0.00 H new ATOM 255 N PRO A 17 9.539 -0.187 -6.230 1.00 0.00 N ATOM 256 CA PRO A 17 10.152 -1.521 -6.230 1.00 0.00 C ATOM 257 C PRO A 17 11.424 -1.588 -5.385 1.00 0.00 C ATOM 258 O PRO A 17 11.845 -2.672 -4.978 1.00 0.00 O ATOM 259 CB PRO A 17 10.479 -1.767 -7.705 1.00 0.00 C ATOM 260 CG PRO A 17 10.586 -0.409 -8.307 1.00 0.00 C ATOM 261 CD PRO A 17 9.615 0.456 -7.555 1.00 0.00 C ATOM 0 HA PRO A 17 9.487 -2.267 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.410 -2.322 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.699 -2.353 -8.190 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.601 -0.023 -8.219 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.345 -0.433 -9.370 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.967 1.485 -7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.641 0.485 -8.044 1.00 0.00 H new ATOM 269 N GLU A 18 12.030 -0.425 -5.122 1.00 0.00 N ATOM 270 CA GLU A 18 13.252 -0.354 -4.323 1.00 0.00 C ATOM 271 C GLU A 18 13.079 -1.061 -2.977 1.00 0.00 C ATOM 272 O GLU A 18 14.013 -1.688 -2.474 1.00 0.00 O ATOM 273 CB GLU A 18 13.664 1.107 -4.099 1.00 0.00 C ATOM 274 CG GLU A 18 12.559 1.981 -3.519 1.00 0.00 C ATOM 275 CD GLU A 18 13.032 3.387 -3.204 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.002 4.241 -4.114 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.431 3.634 -2.046 1.00 0.00 O ATOM 0 H GLU A 18 11.692 0.479 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 18 14.039 -0.865 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.523 1.133 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.988 1.532 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.731 2.030 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.175 1.519 -2.610 1.00 0.00 H new ATOM 284 N ASN A 19 11.880 -0.958 -2.399 1.00 0.00 N ATOM 285 CA ASN A 19 11.588 -1.590 -1.115 1.00 0.00 C ATOM 286 C ASN A 19 10.195 -2.232 -1.104 1.00 0.00 C ATOM 287 O ASN A 19 9.613 -2.438 -0.037 1.00 0.00 O ATOM 288 CB ASN A 19 11.698 -0.562 0.015 1.00 0.00 C ATOM 289 CG ASN A 19 12.369 -1.133 1.250 1.00 0.00 C ATOM 290 OD1 ASN A 19 12.154 -2.291 1.610 1.00 0.00 O ATOM 291 ND2 ASN A 19 13.186 -0.321 1.911 1.00 0.00 N ATOM 0 H ASN A 19 11.097 -0.443 -2.802 1.00 0.00 H new ATOM 0 HA ASN A 19 12.322 -2.381 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.263 0.301 -0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.702 -0.206 0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.663 -0.650 2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.337 0.632 1.579 1.00 0.00 H new ATOM 298 N GLN A 20 9.667 -2.551 -2.293 1.00 0.00 N ATOM 299 CA GLN A 20 8.347 -3.170 -2.419 1.00 0.00 C ATOM 300 C GLN A 20 7.287 -2.398 -1.623 1.00 0.00 C ATOM 301 O GLN A 20 6.721 -2.912 -0.654 1.00 0.00 O ATOM 302 CB GLN A 20 8.402 -4.634 -1.965 1.00 0.00 C ATOM 303 CG GLN A 20 7.362 -5.519 -2.637 1.00 0.00 C ATOM 304 CD GLN A 20 7.501 -6.983 -2.262 1.00 0.00 C ATOM 305 OE1 GLN A 20 8.327 -7.711 -3.006 1.00 0.00 O flip ATOM 306 NE2 GLN A 20 6.871 -7.456 -1.318 1.00 0.00 N flip ATOM 0 H GLN A 20 10.138 -2.389 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 20 8.059 -3.137 -3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.395 -5.033 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.260 -4.677 -0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.366 -5.172 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.449 -5.416 -3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.247 -6.862 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.972 -8.443 -1.081 1.00 0.00 H new ATOM 315 N MET A 21 7.023 -1.160 -2.042 1.00 0.00 N ATOM 316 CA MET A 21 6.031 -0.314 -1.375 1.00 0.00 C ATOM 317 C MET A 21 5.374 0.652 -2.365 1.00 0.00 C ATOM 318 O MET A 21 5.788 0.745 -3.522 1.00 0.00 O ATOM 319 CB MET A 21 6.681 0.470 -0.229 1.00 0.00 C ATOM 320 CG MET A 21 7.786 1.414 -0.675 1.00 0.00 C ATOM 321 SD MET A 21 8.745 2.060 0.709 1.00 0.00 S ATOM 322 CE MET A 21 9.830 3.208 -0.136 1.00 0.00 C ATOM 0 H MET A 21 7.482 -0.720 -2.840 1.00 0.00 H new ATOM 0 HA MET A 21 5.257 -0.964 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.912 1.045 0.286 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.090 -0.236 0.494 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.452 0.890 -1.361 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.348 2.245 -1.228 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.851 3.074 0.222 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.794 3.020 -1.209 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.506 4.229 0.064 1.00 0.00 H new ATOM 332 N PHE A 22 4.347 1.367 -1.902 1.00 0.00 N ATOM 333 CA PHE A 22 3.632 2.329 -2.743 1.00 0.00 C ATOM 334 C PHE A 22 3.495 3.676 -2.039 1.00 0.00 C ATOM 335 O PHE A 22 3.142 3.734 -0.859 1.00 0.00 O ATOM 336 CB PHE A 22 2.244 1.792 -3.107 1.00 0.00 C ATOM 337 CG PHE A 22 2.227 0.947 -4.350 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.436 -0.421 -4.276 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.993 1.519 -5.590 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.417 -1.201 -5.416 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.974 0.744 -6.733 1.00 0.00 C ATOM 342 CZ PHE A 22 2.184 -0.619 -6.646 1.00 0.00 C ATOM 0 H PHE A 22 3.991 1.298 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 22 4.212 2.472 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.863 1.203 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.563 2.633 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.616 -0.882 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.824 2.583 -5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.584 -2.266 -5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.795 1.203 -7.694 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.166 -1.228 -7.538 1.00 0.00 H new ATOM 352 N THR A 23 3.776 4.756 -2.767 1.00 0.00 N ATOM 353 CA THR A 23 3.686 6.105 -2.210 1.00 0.00 C ATOM 354 C THR A 23 2.882 7.029 -3.123 1.00 0.00 C ATOM 355 O THR A 23 3.059 7.023 -4.341 1.00 0.00 O ATOM 356 CB THR A 23 5.086 6.681 -1.983 1.00 0.00 C ATOM 357 OG1 THR A 23 5.919 6.436 -3.103 1.00 0.00 O ATOM 358 CG2 THR A 23 5.775 6.110 -0.762 1.00 0.00 C ATOM 0 H THR A 23 4.068 4.723 -3.744 1.00 0.00 H new ATOM 0 HA THR A 23 3.168 6.038 -1.253 1.00 0.00 H new ATOM 0 HB THR A 23 4.938 7.750 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.817 6.192 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.763 6.559 -0.658 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.182 6.328 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.878 5.031 -0.874 1.00 0.00 H new ATOM 366 N TYR A 24 1.999 7.827 -2.523 1.00 0.00 N ATOM 367 CA TYR A 24 1.168 8.760 -3.280 1.00 0.00 C ATOM 368 C TYR A 24 1.047 10.099 -2.553 1.00 0.00 C ATOM 369 O TYR A 24 0.865 10.137 -1.337 1.00 0.00 O ATOM 370 CB TYR A 24 -0.223 8.161 -3.515 1.00 0.00 C ATOM 371 CG TYR A 24 -1.138 9.037 -4.347 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.803 10.118 -3.779 1.00 0.00 C ATOM 373 CD2 TYR A 24 -1.334 8.785 -5.699 1.00 0.00 C ATOM 374 CE1 TYR A 24 -2.638 10.919 -4.533 1.00 0.00 C ATOM 375 CE2 TYR A 24 -2.166 9.583 -6.460 1.00 0.00 C ATOM 376 CZ TYR A 24 -2.814 10.649 -5.873 1.00 0.00 C ATOM 377 OH TYR A 24 -3.643 11.448 -6.628 1.00 0.00 O ATOM 0 H TYR A 24 1.841 7.845 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 24 1.647 8.936 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.113 7.196 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.695 7.974 -2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.664 10.335 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.828 7.951 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.150 11.752 -4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.308 9.373 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.657 11.124 -7.553 1.00 0.00 H new ATOM 387 N PRO A 25 1.144 11.220 -3.295 1.00 0.00 N ATOM 388 CA PRO A 25 1.043 12.565 -2.716 1.00 0.00 C ATOM 389 C PRO A 25 -0.383 12.912 -2.287 1.00 0.00 C ATOM 390 O PRO A 25 -1.235 13.222 -3.123 1.00 0.00 O ATOM 391 CB PRO A 25 1.500 13.476 -3.858 1.00 0.00 C ATOM 392 CG PRO A 25 1.171 12.718 -5.097 1.00 0.00 C ATOM 393 CD PRO A 25 1.361 11.266 -4.756 1.00 0.00 C ATOM 0 HA PRO A 25 1.639 12.664 -1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.983 14.435 -3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.567 13.687 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.147 12.914 -5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.821 13.014 -5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.650 10.633 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.359 10.919 -5.024 1.00 0.00 H new ATOM 401 N CYS A 26 -0.632 12.861 -0.980 1.00 0.00 N ATOM 402 CA CYS A 26 -1.951 13.174 -0.433 1.00 0.00 C ATOM 403 C CYS A 26 -2.309 14.638 -0.690 1.00 0.00 C ATOM 404 O CYS A 26 -1.457 15.521 -0.565 1.00 0.00 O ATOM 405 CB CYS A 26 -1.985 12.886 1.071 1.00 0.00 C ATOM 406 SG CYS A 26 -3.606 13.171 1.855 1.00 0.00 S ATOM 0 H CYS A 26 0.063 12.605 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.685 12.542 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.692 11.849 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.241 13.511 1.565 1.00 0.00 H new ATOM 411 N PRO A 27 -3.581 14.914 -1.054 1.00 0.00 N ATOM 412 CA PRO A 27 -4.056 16.278 -1.327 1.00 0.00 C ATOM 413 C PRO A 27 -3.700 17.274 -0.221 1.00 0.00 C ATOM 414 O PRO A 27 -3.585 18.474 -0.479 1.00 0.00 O ATOM 415 CB PRO A 27 -5.573 16.109 -1.421 1.00 0.00 C ATOM 416 CG PRO A 27 -5.763 14.706 -1.871 1.00 0.00 C ATOM 417 CD PRO A 27 -4.655 13.916 -1.229 1.00 0.00 C ATOM 0 HA PRO A 27 -3.594 16.689 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.053 16.286 -0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.008 16.815 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.739 14.327 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.716 14.634 -2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.966 13.489 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.335 13.087 -1.860 1.00 0.00 H new ATOM 425 N CYS A 28 -3.526 16.775 1.008 1.00 0.00 N ATOM 426 CA CYS A 28 -3.182 17.632 2.144 1.00 0.00 C ATOM 427 C CYS A 28 -1.881 18.402 1.891 1.00 0.00 C ATOM 428 O CYS A 28 -1.689 19.501 2.419 1.00 0.00 O ATOM 429 CB CYS A 28 -3.061 16.798 3.424 1.00 0.00 C ATOM 430 SG CYS A 28 -1.472 15.925 3.609 1.00 0.00 S ATOM 0 H CYS A 28 -3.618 15.786 1.239 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.985 18.359 2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.204 17.452 4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.868 16.066 3.443 1.00 0.00 H new ATOM 435 N GLY A 29 -0.992 17.819 1.084 1.00 0.00 N ATOM 436 CA GLY A 29 0.277 18.461 0.775 1.00 0.00 C ATOM 437 C GLY A 29 1.491 17.612 1.133 1.00 0.00 C ATOM 438 O GLY A 29 2.624 18.086 1.040 1.00 0.00 O ATOM 0 H GLY A 29 -1.130 16.912 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.308 18.694 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.336 19.409 1.310 1.00 0.00 H new ATOM 442 N ASP A 30 1.263 16.361 1.542 1.00 0.00 N ATOM 443 CA ASP A 30 2.355 15.461 1.909 1.00 0.00 C ATOM 444 C ASP A 30 2.324 14.186 1.061 1.00 0.00 C ATOM 445 O ASP A 30 1.536 14.080 0.121 1.00 0.00 O ATOM 446 CB ASP A 30 2.265 15.115 3.399 1.00 0.00 C ATOM 447 CG ASP A 30 3.133 16.018 4.253 1.00 0.00 C ATOM 448 OD1 ASP A 30 2.838 17.231 4.327 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.109 15.514 4.848 1.00 0.00 O ATOM 0 H ASP A 30 0.333 15.951 1.627 1.00 0.00 H new ATOM 0 HA ASP A 30 3.301 15.968 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.228 15.196 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.567 14.078 3.548 1.00 0.00 H new ATOM 454 N ARG A 31 3.188 13.220 1.392 1.00 0.00 N ATOM 455 CA ARG A 31 3.249 11.961 0.650 1.00 0.00 C ATOM 456 C ARG A 31 2.930 10.768 1.550 1.00 0.00 C ATOM 457 O ARG A 31 3.503 10.622 2.631 1.00 0.00 O ATOM 458 CB ARG A 31 4.631 11.777 0.018 1.00 0.00 C ATOM 459 CG ARG A 31 4.583 11.238 -1.404 1.00 0.00 C ATOM 460 CD ARG A 31 5.846 10.466 -1.756 1.00 0.00 C ATOM 461 NE ARG A 31 7.058 11.266 -1.566 1.00 0.00 N ATOM 462 CZ ARG A 31 7.440 12.254 -2.382 1.00 0.00 C ATOM 463 NH1 ARG A 31 6.709 12.568 -3.449 1.00 0.00 N ATOM 464 NH2 ARG A 31 8.561 12.925 -2.132 1.00 0.00 N ATOM 0 H ARG A 31 3.850 13.287 2.165 1.00 0.00 H new ATOM 0 HA ARG A 31 2.497 12.007 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.152 12.735 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.216 11.096 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.716 10.588 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.455 12.065 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.905 9.569 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.790 10.136 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 31 7.648 11.056 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.851 12.054 -3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.007 13.323 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.128 12.686 -1.319 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.854 13.679 -2.754 1.00 0.00 H new ATOM 478 N PHE A 32 2.017 9.914 1.087 1.00 0.00 N ATOM 479 CA PHE A 32 1.618 8.725 1.837 1.00 0.00 C ATOM 480 C PHE A 32 2.469 7.518 1.440 1.00 0.00 C ATOM 481 O PHE A 32 3.042 7.484 0.351 1.00 0.00 O ATOM 482 CB PHE A 32 0.134 8.418 1.599 1.00 0.00 C ATOM 483 CG PHE A 32 -0.371 7.240 2.385 1.00 0.00 C ATOM 484 CD1 PHE A 32 -0.425 7.286 3.769 1.00 0.00 C ATOM 485 CD2 PHE A 32 -0.782 6.084 1.740 1.00 0.00 C ATOM 486 CE1 PHE A 32 -0.882 6.202 4.494 1.00 0.00 C ATOM 487 CE2 PHE A 32 -1.237 4.997 2.460 1.00 0.00 C ATOM 488 CZ PHE A 32 -1.287 5.056 3.839 1.00 0.00 C ATOM 0 H PHE A 32 1.539 10.025 0.193 1.00 0.00 H new ATOM 0 HA PHE A 32 1.775 8.926 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.456 9.297 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.024 8.230 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.106 8.179 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.746 6.033 0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.922 6.251 5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.553 4.102 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.642 4.207 4.404 1.00 0.00 H new ATOM 498 N GLN A 33 2.541 6.529 2.332 1.00 0.00 N ATOM 499 CA GLN A 33 3.315 5.316 2.078 1.00 0.00 C ATOM 500 C GLN A 33 2.579 4.078 2.588 1.00 0.00 C ATOM 501 O GLN A 33 2.143 4.036 3.741 1.00 0.00 O ATOM 502 CB GLN A 33 4.692 5.410 2.744 1.00 0.00 C ATOM 503 CG GLN A 33 4.639 5.825 4.208 1.00 0.00 C ATOM 504 CD GLN A 33 5.709 6.837 4.568 1.00 0.00 C ATOM 505 OE1 GLN A 33 6.592 6.560 5.378 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.635 8.019 3.965 1.00 0.00 N ATOM 0 H GLN A 33 2.072 6.546 3.237 1.00 0.00 H new ATOM 0 HA GLN A 33 3.444 5.223 1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.189 4.443 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.303 6.126 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.658 6.246 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.754 4.942 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.885 8.206 3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.328 8.739 4.168 1.00 0.00 H new ATOM 515 N ILE A 34 2.451 3.071 1.725 1.00 0.00 N ATOM 516 CA ILE A 34 1.777 1.828 2.086 1.00 0.00 C ATOM 517 C ILE A 34 2.526 0.616 1.527 1.00 0.00 C ATOM 518 O ILE A 34 2.634 0.444 0.310 1.00 0.00 O ATOM 519 CB ILE A 34 0.309 1.810 1.595 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.402 0.541 2.076 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.240 1.923 0.077 1.00 0.00 C ATOM 522 CD1 ILE A 34 -1.852 0.764 2.449 1.00 0.00 C ATOM 0 H ILE A 34 2.807 3.093 0.769 1.00 0.00 H new ATOM 0 HA ILE A 34 1.774 1.772 3.175 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.202 2.674 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.349 -0.215 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.130 0.142 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.802 1.908 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.703 2.858 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.770 1.084 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.291 -0.177 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.912 1.496 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.398 1.134 1.581 1.00 0.00 H new ATOM 534 N TYR A 35 3.045 -0.218 2.426 1.00 0.00 N ATOM 535 CA TYR A 35 3.787 -1.413 2.030 1.00 0.00 C ATOM 536 C TYR A 35 2.843 -2.498 1.516 1.00 0.00 C ATOM 537 O TYR A 35 1.749 -2.686 2.053 1.00 0.00 O ATOM 538 CB TYR A 35 4.599 -1.946 3.213 1.00 0.00 C ATOM 539 CG TYR A 35 5.885 -1.187 3.458 1.00 0.00 C ATOM 540 CD1 TYR A 35 6.998 -1.392 2.653 1.00 0.00 C ATOM 541 CD2 TYR A 35 5.984 -0.266 4.493 1.00 0.00 C ATOM 542 CE1 TYR A 35 8.174 -0.701 2.872 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.157 0.430 4.719 1.00 0.00 C ATOM 544 CZ TYR A 35 8.249 0.209 3.905 1.00 0.00 C ATOM 545 OH TYR A 35 9.419 0.899 4.127 1.00 0.00 O ATOM 0 H TYR A 35 2.965 -0.088 3.435 1.00 0.00 H new ATOM 0 HA TYR A 35 4.466 -1.138 1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.985 -1.903 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.835 -2.996 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.943 -2.103 1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.131 -0.091 5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.031 -0.873 2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.218 1.143 5.528 1.00 0.00 H new ATOM 0 HH TYR A 35 9.304 1.501 4.892 1.00 0.00 H new ATOM 555 N LEU A 36 3.277 -3.213 0.478 1.00 0.00 N ATOM 556 CA LEU A 36 2.474 -4.288 -0.108 1.00 0.00 C ATOM 557 C LEU A 36 2.167 -5.370 0.928 1.00 0.00 C ATOM 558 O LEU A 36 1.063 -5.917 0.955 1.00 0.00 O ATOM 559 CB LEU A 36 3.199 -4.906 -1.310 1.00 0.00 C ATOM 560 CG LEU A 36 3.138 -4.090 -2.607 1.00 0.00 C ATOM 561 CD1 LEU A 36 1.696 -3.768 -2.976 1.00 0.00 C ATOM 562 CD2 LEU A 36 3.955 -2.812 -2.474 1.00 0.00 C ATOM 0 H LEU A 36 4.179 -3.068 0.025 1.00 0.00 H new ATOM 0 HA LEU A 36 1.532 -3.856 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.245 -5.055 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.775 -5.892 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 36 3.568 -4.691 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.677 -3.189 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.141 -4.695 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.236 -3.189 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.900 -2.246 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.557 -2.209 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.994 -3.065 -2.264 1.00 0.00 H new ATOM 574 N ASP A 37 3.146 -5.667 1.787 1.00 0.00 N ATOM 575 CA ASP A 37 2.973 -6.678 2.833 1.00 0.00 C ATOM 576 C ASP A 37 1.840 -6.289 3.784 1.00 0.00 C ATOM 577 O ASP A 37 1.052 -7.140 4.198 1.00 0.00 O ATOM 578 CB ASP A 37 4.271 -6.876 3.624 1.00 0.00 C ATOM 579 CG ASP A 37 4.929 -5.564 4.012 1.00 0.00 C ATOM 580 OD1 ASP A 37 4.581 -5.018 5.079 1.00 0.00 O ATOM 581 OD2 ASP A 37 5.793 -5.084 3.248 1.00 0.00 O ATOM 0 H ASP A 37 4.064 -5.223 1.779 1.00 0.00 H new ATOM 0 HA ASP A 37 2.715 -7.618 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.058 -7.451 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.968 -7.465 3.028 1.00 0.00 H new ATOM 586 N ASP A 38 1.761 -5.000 4.120 1.00 0.00 N ATOM 587 CA ASP A 38 0.718 -4.506 5.017 1.00 0.00 C ATOM 588 C ASP A 38 -0.666 -4.704 4.404 1.00 0.00 C ATOM 589 O ASP A 38 -1.616 -5.066 5.099 1.00 0.00 O ATOM 590 CB ASP A 38 0.938 -3.024 5.335 1.00 0.00 C ATOM 591 CG ASP A 38 0.529 -2.671 6.753 1.00 0.00 C ATOM 592 OD1 ASP A 38 0.996 -3.349 7.694 1.00 0.00 O ATOM 593 OD2 ASP A 38 -0.258 -1.717 6.923 1.00 0.00 O ATOM 0 H ASP A 38 2.405 -4.283 3.785 1.00 0.00 H new ATOM 0 HA ASP A 38 0.775 -5.079 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.990 -2.776 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.368 -2.416 4.633 1.00 0.00 H new ATOM 598 N MET A 39 -0.768 -4.472 3.095 1.00 0.00 N ATOM 599 CA MET A 39 -2.034 -4.632 2.380 1.00 0.00 C ATOM 600 C MET A 39 -2.525 -6.079 2.446 1.00 0.00 C ATOM 601 O MET A 39 -3.731 -6.331 2.416 1.00 0.00 O ATOM 602 CB MET A 39 -1.882 -4.206 0.918 1.00 0.00 C ATOM 603 CG MET A 39 -1.451 -2.758 0.742 1.00 0.00 C ATOM 604 SD MET A 39 -0.759 -2.437 -0.892 1.00 0.00 S ATOM 605 CE MET A 39 -1.646 -0.950 -1.350 1.00 0.00 C ATOM 0 H MET A 39 0.011 -4.173 2.508 1.00 0.00 H new ATOM 0 HA MET A 39 -2.771 -3.992 2.865 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.151 -4.854 0.435 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.831 -4.358 0.405 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.308 -2.105 0.905 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.711 -2.508 1.502 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.077 -0.404 -2.103 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.621 -1.219 -1.756 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.780 -0.321 -0.470 1.00 0.00 H new ATOM 615 N PHE A 40 -1.585 -7.025 2.540 1.00 0.00 N ATOM 616 CA PHE A 40 -1.924 -8.447 2.618 1.00 0.00 C ATOM 617 C PHE A 40 -2.848 -8.727 3.805 1.00 0.00 C ATOM 618 O PHE A 40 -3.740 -9.571 3.718 1.00 0.00 O ATOM 619 CB PHE A 40 -0.651 -9.291 2.739 1.00 0.00 C ATOM 620 CG PHE A 40 -0.587 -10.435 1.765 1.00 0.00 C ATOM 621 CD1 PHE A 40 -0.107 -10.242 0.479 1.00 0.00 C ATOM 622 CD2 PHE A 40 -1.006 -11.704 2.136 1.00 0.00 C ATOM 623 CE1 PHE A 40 -0.044 -11.293 -0.417 1.00 0.00 C ATOM 624 CE2 PHE A 40 -0.945 -12.758 1.244 1.00 0.00 C ATOM 625 CZ PHE A 40 -0.464 -12.552 -0.034 1.00 0.00 C ATOM 0 H PHE A 40 -0.584 -6.830 2.564 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.448 -8.719 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.216 -8.648 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.582 -9.685 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.221 -9.260 0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.384 -11.871 3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.333 -11.130 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.273 -13.742 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.416 -13.374 -0.733 1.00 0.00 H new ATOM 635 N GLU A 41 -2.633 -8.009 4.910 1.00 0.00 N ATOM 636 CA GLU A 41 -3.454 -8.178 6.109 1.00 0.00 C ATOM 637 C GLU A 41 -4.890 -7.711 5.856 1.00 0.00 C ATOM 638 O GLU A 41 -5.839 -8.286 6.392 1.00 0.00 O ATOM 639 CB GLU A 41 -2.852 -7.405 7.288 1.00 0.00 C ATOM 640 CG GLU A 41 -1.604 -8.052 7.874 1.00 0.00 C ATOM 641 CD GLU A 41 -1.524 -7.919 9.384 1.00 0.00 C ATOM 642 OE1 GLU A 41 -1.768 -6.808 9.900 1.00 0.00 O ATOM 643 OE2 GLU A 41 -1.214 -8.929 10.052 1.00 0.00 O ATOM 0 H GLU A 41 -1.899 -7.307 4.998 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.472 -9.239 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.607 -6.395 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.604 -7.312 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.588 -9.108 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.720 -7.597 7.427 1.00 0.00 H new ATOM 650 N GLY A 42 -5.041 -6.671 5.033 1.00 0.00 N ATOM 651 CA GLY A 42 -6.361 -6.152 4.718 1.00 0.00 C ATOM 652 C GLY A 42 -6.492 -4.671 5.022 1.00 0.00 C ATOM 653 O GLY A 42 -7.282 -4.277 5.882 1.00 0.00 O ATOM 0 H GLY A 42 -4.270 -6.180 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.572 -6.323 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.110 -6.704 5.286 1.00 0.00 H new ATOM 657 N GLU A 43 -5.718 -3.850 4.312 1.00 0.00 N ATOM 658 CA GLU A 43 -5.750 -2.403 4.508 1.00 0.00 C ATOM 659 C GLU A 43 -6.509 -1.712 3.377 1.00 0.00 C ATOM 660 O GLU A 43 -6.000 -1.587 2.261 1.00 0.00 O ATOM 661 CB GLU A 43 -4.328 -1.840 4.598 1.00 0.00 C ATOM 662 CG GLU A 43 -4.275 -0.402 5.099 1.00 0.00 C ATOM 663 CD GLU A 43 -4.292 -0.301 6.613 1.00 0.00 C ATOM 664 OE1 GLU A 43 -5.114 -0.995 7.251 1.00 0.00 O ATOM 665 OE2 GLU A 43 -3.486 0.479 7.162 1.00 0.00 O ATOM 0 H GLU A 43 -5.062 -4.163 3.597 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.271 -2.207 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.738 -2.470 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.862 -1.891 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.373 0.077 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.123 0.150 4.694 1.00 0.00 H new ATOM 672 N LYS A 44 -7.724 -1.258 3.679 1.00 0.00 N ATOM 673 CA LYS A 44 -8.557 -0.565 2.695 1.00 0.00 C ATOM 674 C LYS A 44 -8.719 0.914 3.056 1.00 0.00 C ATOM 675 O LYS A 44 -8.801 1.767 2.173 1.00 0.00 O ATOM 676 CB LYS A 44 -9.933 -1.233 2.579 1.00 0.00 C ATOM 677 CG LYS A 44 -10.642 -1.429 3.912 1.00 0.00 C ATOM 678 CD LYS A 44 -10.407 -2.823 4.472 1.00 0.00 C ATOM 679 CE LYS A 44 -11.263 -3.862 3.764 1.00 0.00 C ATOM 680 NZ LYS A 44 -11.736 -4.926 4.693 1.00 0.00 N ATOM 0 H LYS A 44 -8.155 -1.357 4.598 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.054 -0.631 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.565 -0.628 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.815 -2.203 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.288 -0.685 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.712 -1.264 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.354 -3.085 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.633 -2.830 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.123 -3.372 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.688 -4.316 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.315 -5.612 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.917 -5.412 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.307 -4.498 5.450 1.00 0.00 H new ATOM 694 N VAL A 45 -8.759 1.211 4.358 1.00 0.00 N ATOM 695 CA VAL A 45 -8.905 2.586 4.826 1.00 0.00 C ATOM 696 C VAL A 45 -7.665 3.026 5.600 1.00 0.00 C ATOM 697 O VAL A 45 -7.601 2.890 6.825 1.00 0.00 O ATOM 698 CB VAL A 45 -10.154 2.761 5.719 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.407 4.235 6.005 1.00 0.00 C ATOM 700 CG2 VAL A 45 -11.373 2.121 5.071 1.00 0.00 C ATOM 0 H VAL A 45 -8.692 0.517 5.103 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.025 3.211 3.941 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.969 2.256 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.291 4.337 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.544 4.659 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.568 4.765 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.241 2.256 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.562 2.592 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.191 1.056 4.926 1.00 0.00 H new ATOM 710 N ALA A 46 -6.679 3.548 4.876 1.00 0.00 N ATOM 711 CA ALA A 46 -5.436 4.005 5.490 1.00 0.00 C ATOM 712 C ALA A 46 -5.583 5.418 6.049 1.00 0.00 C ATOM 713 O ALA A 46 -6.511 6.147 5.687 1.00 0.00 O ATOM 714 CB ALA A 46 -4.298 3.949 4.482 1.00 0.00 C ATOM 0 H ALA A 46 -6.717 3.665 3.863 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.205 3.338 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.377 4.293 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.168 2.923 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.532 4.591 3.633 1.00 0.00 H new ATOM 720 N VAL A 47 -4.659 5.800 6.930 1.00 0.00 N ATOM 721 CA VAL A 47 -4.680 7.126 7.541 1.00 0.00 C ATOM 722 C VAL A 47 -3.387 7.887 7.248 1.00 0.00 C ATOM 723 O VAL A 47 -2.292 7.416 7.563 1.00 0.00 O ATOM 724 CB VAL A 47 -4.901 7.040 9.071 1.00 0.00 C ATOM 725 CG1 VAL A 47 -3.769 6.279 9.750 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.051 8.431 9.671 1.00 0.00 C ATOM 0 H VAL A 47 -3.886 5.208 7.236 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.516 7.669 7.100 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.825 6.489 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.953 6.235 10.824 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.719 5.267 9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.824 6.790 9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.205 8.348 10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.148 9.010 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.907 8.932 9.219 1.00 0.00 H new ATOM 736 N CYS A 48 -3.525 9.064 6.642 1.00 0.00 N ATOM 737 CA CYS A 48 -2.372 9.896 6.304 1.00 0.00 C ATOM 738 C CYS A 48 -1.631 10.333 7.568 1.00 0.00 C ATOM 739 O CYS A 48 -2.254 10.739 8.550 1.00 0.00 O ATOM 740 CB CYS A 48 -2.823 11.125 5.506 1.00 0.00 C ATOM 741 SG CYS A 48 -1.474 12.258 5.037 1.00 0.00 S ATOM 0 H CYS A 48 -4.425 9.464 6.375 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.690 9.306 5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.330 10.789 4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.555 11.677 6.095 1.00 0.00 H new ATOM 746 N PRO A 49 -0.285 10.253 7.564 1.00 0.00 N ATOM 747 CA PRO A 49 0.533 10.640 8.717 1.00 0.00 C ATOM 748 C PRO A 49 0.812 12.148 8.785 1.00 0.00 C ATOM 749 O PRO A 49 1.751 12.578 9.459 1.00 0.00 O ATOM 750 CB PRO A 49 1.826 9.863 8.483 1.00 0.00 C ATOM 751 CG PRO A 49 1.947 9.763 6.998 1.00 0.00 C ATOM 752 CD PRO A 49 0.543 9.770 6.442 1.00 0.00 C ATOM 0 HA PRO A 49 0.036 10.419 9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.682 10.380 8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.783 8.876 8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.524 10.598 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.470 8.850 6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.461 10.425 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.237 8.775 6.120 1.00 0.00 H new ATOM 760 N SER A 50 -0.006 12.945 8.092 1.00 0.00 N ATOM 761 CA SER A 50 0.153 14.396 8.084 1.00 0.00 C ATOM 762 C SER A 50 -1.172 15.085 8.413 1.00 0.00 C ATOM 763 O SER A 50 -1.253 15.860 9.368 1.00 0.00 O ATOM 764 CB SER A 50 0.672 14.875 6.725 1.00 0.00 C ATOM 765 OG SER A 50 1.570 15.961 6.881 1.00 0.00 O ATOM 0 H SER A 50 -0.786 12.606 7.529 1.00 0.00 H new ATOM 0 HA SER A 50 0.883 14.661 8.849 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.173 14.054 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.166 15.178 6.097 1.00 0.00 H new ATOM 0 HG SER A 50 1.309 16.690 6.280 1.00 0.00 H new ATOM 771 N CYS A 51 -2.209 14.796 7.620 1.00 0.00 N ATOM 772 CA CYS A 51 -3.530 15.392 7.837 1.00 0.00 C ATOM 773 C CYS A 51 -4.491 14.419 8.529 1.00 0.00 C ATOM 774 O CYS A 51 -5.571 14.820 8.966 1.00 0.00 O ATOM 775 CB CYS A 51 -4.131 15.863 6.511 1.00 0.00 C ATOM 776 SG CYS A 51 -4.666 14.514 5.408 1.00 0.00 S ATOM 0 H CYS A 51 -2.159 14.157 6.827 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.392 16.250 8.495 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.986 16.505 6.721 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.395 16.473 5.988 1.00 0.00 H new ATOM 781 N SER A 52 -4.096 13.145 8.627 1.00 0.00 N ATOM 782 CA SER A 52 -4.919 12.117 9.268 1.00 0.00 C ATOM 783 C SER A 52 -6.264 11.943 8.548 1.00 0.00 C ATOM 784 O SER A 52 -7.292 11.681 9.181 1.00 0.00 O ATOM 785 CB SER A 52 -5.129 12.454 10.755 1.00 0.00 C ATOM 786 OG SER A 52 -6.245 13.309 10.951 1.00 0.00 O ATOM 0 H SER A 52 -3.206 12.801 8.268 1.00 0.00 H new ATOM 0 HA SER A 52 -4.389 11.167 9.198 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.274 11.533 11.319 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.232 12.932 11.149 1.00 0.00 H new ATOM 0 HG SER A 52 -6.239 14.015 10.272 1.00 0.00 H new ATOM 792 N LEU A 53 -6.248 12.081 7.222 1.00 0.00 N ATOM 793 CA LEU A 53 -7.457 11.935 6.418 1.00 0.00 C ATOM 794 C LEU A 53 -7.650 10.476 5.999 1.00 0.00 C ATOM 795 O LEU A 53 -6.704 9.815 5.566 1.00 0.00 O ATOM 796 CB LEU A 53 -7.372 12.843 5.186 1.00 0.00 C ATOM 797 CG LEU A 53 -8.581 12.800 4.247 1.00 0.00 C ATOM 798 CD1 LEU A 53 -8.873 14.186 3.690 1.00 0.00 C ATOM 799 CD2 LEU A 53 -8.342 11.807 3.119 1.00 0.00 C ATOM 0 H LEU A 53 -5.409 12.294 6.683 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.318 12.232 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.233 13.870 5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.483 12.571 4.617 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.450 12.470 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.735 14.137 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.087 14.870 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.006 14.545 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.210 11.788 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.462 12.107 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.182 10.813 3.537 1.00 0.00 H new ATOM 811 N MET A 54 -8.882 9.978 6.136 1.00 0.00 N ATOM 812 CA MET A 54 -9.199 8.594 5.776 1.00 0.00 C ATOM 813 C MET A 54 -9.505 8.471 4.284 1.00 0.00 C ATOM 814 O MET A 54 -10.226 9.296 3.719 1.00 0.00 O ATOM 815 CB MET A 54 -10.391 8.081 6.597 1.00 0.00 C ATOM 816 CG MET A 54 -10.058 7.788 8.055 1.00 0.00 C ATOM 817 SD MET A 54 -11.335 6.812 8.876 1.00 0.00 S ATOM 818 CE MET A 54 -10.367 5.936 10.105 1.00 0.00 C ATOM 0 H MET A 54 -9.675 10.512 6.493 1.00 0.00 H new ATOM 0 HA MET A 54 -8.324 7.984 6.002 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.191 8.821 6.559 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.775 7.173 6.133 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.109 7.255 8.107 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.925 8.729 8.590 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.021 5.291 10.692 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.610 5.329 9.607 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.880 6.654 10.764 1.00 0.00 H new ATOM 828 N ILE A 55 -8.948 7.436 3.652 1.00 0.00 N ATOM 829 CA ILE A 55 -9.156 7.205 2.223 1.00 0.00 C ATOM 830 C ILE A 55 -9.369 5.724 1.914 1.00 0.00 C ATOM 831 O ILE A 55 -8.666 4.860 2.445 1.00 0.00 O ATOM 832 CB ILE A 55 -7.962 7.714 1.384 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.640 7.150 1.923 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.929 9.236 1.363 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.640 6.807 0.839 1.00 0.00 C ATOM 0 H ILE A 55 -8.350 6.746 4.107 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.053 7.763 1.955 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.090 7.362 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.193 7.878 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.849 6.255 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.081 9.573 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.853 9.614 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.829 9.612 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.731 6.414 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.067 6.056 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.402 7.704 0.267 1.00 0.00 H new ATOM 847 N ASP A 56 -10.333 5.442 1.038 1.00 0.00 N ATOM 848 CA ASP A 56 -10.635 4.070 0.639 1.00 0.00 C ATOM 849 C ASP A 56 -9.754 3.643 -0.534 1.00 0.00 C ATOM 850 O ASP A 56 -10.133 3.802 -1.697 1.00 0.00 O ATOM 851 CB ASP A 56 -12.112 3.933 0.251 1.00 0.00 C ATOM 852 CG ASP A 56 -13.041 3.932 1.453 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.702 3.290 2.471 1.00 0.00 O ATOM 854 OD2 ASP A 56 -14.113 4.569 1.375 1.00 0.00 O ATOM 0 H ASP A 56 -10.918 6.148 0.591 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.430 3.420 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.386 4.753 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.251 3.009 -0.310 1.00 0.00 H new ATOM 859 N VAL A 57 -8.578 3.099 -0.225 1.00 0.00 N ATOM 860 CA VAL A 57 -7.653 2.651 -1.261 1.00 0.00 C ATOM 861 C VAL A 57 -7.935 1.202 -1.658 1.00 0.00 C ATOM 862 O VAL A 57 -7.736 0.276 -0.867 1.00 0.00 O ATOM 863 CB VAL A 57 -6.176 2.797 -0.822 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.865 1.915 0.382 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.242 2.478 -1.984 1.00 0.00 C ATOM 0 H VAL A 57 -8.246 2.959 0.729 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.813 3.295 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.014 3.832 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.820 2.041 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.504 2.201 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.048 0.872 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.207 2.585 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.413 1.455 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.437 3.166 -2.807 1.00 0.00 H new ATOM 875 N VAL A 58 -8.402 1.014 -2.889 1.00 0.00 N ATOM 876 CA VAL A 58 -8.711 -0.320 -3.390 1.00 0.00 C ATOM 877 C VAL A 58 -7.470 -0.978 -3.993 1.00 0.00 C ATOM 878 O VAL A 58 -6.793 -0.395 -4.842 1.00 0.00 O ATOM 879 CB VAL A 58 -9.851 -0.287 -4.434 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.447 0.509 -5.667 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.269 -1.702 -4.815 1.00 0.00 C ATOM 0 H VAL A 58 -8.574 1.767 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.047 -0.913 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.707 0.215 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.269 0.514 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.212 1.533 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.570 0.051 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.072 -1.659 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.416 -2.231 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.618 -2.230 -3.927 1.00 0.00 H new ATOM 891 N PHE A 59 -7.175 -2.193 -3.536 1.00 0.00 N ATOM 892 CA PHE A 59 -6.014 -2.936 -4.016 1.00 0.00 C ATOM 893 C PHE A 59 -6.421 -4.311 -4.547 1.00 0.00 C ATOM 894 O PHE A 59 -7.595 -4.682 -4.500 1.00 0.00 O ATOM 895 CB PHE A 59 -4.980 -3.082 -2.892 1.00 0.00 C ATOM 896 CG PHE A 59 -5.459 -3.894 -1.719 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.324 -3.346 -0.785 1.00 0.00 C ATOM 898 CD2 PHE A 59 -5.042 -5.205 -1.553 1.00 0.00 C ATOM 899 CE1 PHE A 59 -6.763 -4.091 0.295 1.00 0.00 C ATOM 900 CE2 PHE A 59 -5.477 -5.954 -0.476 1.00 0.00 C ATOM 901 CZ PHE A 59 -6.340 -5.397 0.448 1.00 0.00 C ATOM 0 H PHE A 59 -7.726 -2.684 -2.832 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.568 -2.377 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.081 -3.545 -3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.697 -2.089 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.659 -2.326 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.369 -5.647 -2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.435 -3.652 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.143 -6.974 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.683 -5.982 1.289 1.00 0.00 H new ATOM 911 N ASP A 60 -5.441 -5.061 -5.056 1.00 0.00 N ATOM 912 CA ASP A 60 -5.696 -6.392 -5.600 1.00 0.00 C ATOM 913 C ASP A 60 -4.679 -7.404 -5.080 1.00 0.00 C ATOM 914 O ASP A 60 -3.504 -7.079 -4.893 1.00 0.00 O ATOM 915 CB ASP A 60 -5.656 -6.357 -7.130 1.00 0.00 C ATOM 916 CG ASP A 60 -6.345 -7.553 -7.760 1.00 0.00 C ATOM 917 OD1 ASP A 60 -7.485 -7.867 -7.355 1.00 0.00 O ATOM 918 OD2 ASP A 60 -5.743 -8.175 -8.658 1.00 0.00 O ATOM 0 H ASP A 60 -4.465 -4.768 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.688 -6.702 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.132 -5.442 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.618 -6.324 -7.462 1.00 0.00 H new ATOM 923 N LYS A 61 -5.140 -8.635 -4.857 1.00 0.00 N ATOM 924 CA LYS A 61 -4.273 -9.705 -4.367 1.00 0.00 C ATOM 925 C LYS A 61 -3.359 -10.216 -5.479 1.00 0.00 C ATOM 926 O LYS A 61 -2.177 -10.479 -5.249 1.00 0.00 O ATOM 927 CB LYS A 61 -5.111 -10.859 -3.810 1.00 0.00 C ATOM 928 CG LYS A 61 -4.440 -11.597 -2.662 1.00 0.00 C ATOM 929 CD LYS A 61 -4.804 -13.073 -2.657 1.00 0.00 C ATOM 930 CE LYS A 61 -3.745 -13.904 -1.949 1.00 0.00 C ATOM 931 NZ LYS A 61 -3.792 -15.335 -2.361 1.00 0.00 N ATOM 0 H LYS A 61 -6.109 -8.915 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.654 -9.298 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.070 -10.470 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.321 -11.566 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.358 -11.489 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.737 -11.145 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.766 -13.210 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.919 -13.424 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.758 -13.496 -2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.888 -13.832 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.054 -15.866 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.725 -15.732 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.630 -15.407 -3.386 1.00 0.00 H new ATOM 945 N GLU A 62 -3.916 -10.347 -6.685 1.00 0.00 N ATOM 946 CA GLU A 62 -3.155 -10.817 -7.841 1.00 0.00 C ATOM 947 C GLU A 62 -1.954 -9.910 -8.097 1.00 0.00 C ATOM 948 O GLU A 62 -0.830 -10.385 -8.261 1.00 0.00 O ATOM 949 CB GLU A 62 -4.051 -10.860 -9.082 1.00 0.00 C ATOM 950 CG GLU A 62 -3.400 -11.519 -10.287 1.00 0.00 C ATOM 951 CD GLU A 62 -3.900 -10.951 -11.600 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.308 -9.963 -12.084 1.00 0.00 O ATOM 953 OE2 GLU A 62 -4.885 -11.494 -12.144 1.00 0.00 O ATOM 0 H GLU A 62 -4.893 -10.133 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.793 -11.823 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.968 -11.396 -8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.338 -9.842 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.319 -11.391 -10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.596 -12.591 -10.261 1.00 0.00 H new ATOM 960 N ASP A 63 -2.207 -8.600 -8.119 1.00 0.00 N ATOM 961 CA ASP A 63 -1.157 -7.610 -8.346 1.00 0.00 C ATOM 962 C ASP A 63 -0.017 -7.781 -7.345 1.00 0.00 C ATOM 963 O ASP A 63 1.152 -7.841 -7.729 1.00 0.00 O ATOM 964 CB ASP A 63 -1.728 -6.192 -8.242 1.00 0.00 C ATOM 965 CG ASP A 63 -2.237 -5.665 -9.570 1.00 0.00 C ATOM 966 OD1 ASP A 63 -1.401 -5.372 -10.451 1.00 0.00 O ATOM 967 OD2 ASP A 63 -3.470 -5.542 -9.726 1.00 0.00 O ATOM 0 H ASP A 63 -3.135 -8.200 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.763 -7.765 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.542 -6.185 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.957 -5.522 -7.862 1.00 0.00 H new ATOM 972 N LEU A 64 -0.365 -7.859 -6.059 1.00 0.00 N ATOM 973 CA LEU A 64 0.632 -8.024 -5.001 1.00 0.00 C ATOM 974 C LEU A 64 1.481 -9.273 -5.234 1.00 0.00 C ATOM 975 O LEU A 64 2.695 -9.252 -5.025 1.00 0.00 O ATOM 976 CB LEU A 64 -0.045 -8.101 -3.630 1.00 0.00 C ATOM 977 CG LEU A 64 0.641 -7.295 -2.525 1.00 0.00 C ATOM 978 CD1 LEU A 64 -0.375 -6.821 -1.496 1.00 0.00 C ATOM 979 CD2 LEU A 64 1.734 -8.123 -1.862 1.00 0.00 C ATOM 0 H LEU A 64 -1.328 -7.811 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 64 1.287 -7.153 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.073 -7.752 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.091 -9.146 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 64 1.102 -6.416 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.133 -6.250 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.118 -6.190 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.869 -7.683 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.212 -7.535 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.296 -9.021 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.478 -8.407 -2.607 1.00 0.00 H new ATOM 991 N ALA A 65 0.837 -10.356 -5.675 1.00 0.00 N ATOM 992 CA ALA A 65 1.538 -11.609 -5.943 1.00 0.00 C ATOM 993 C ALA A 65 2.592 -11.429 -7.036 1.00 0.00 C ATOM 994 O ALA A 65 3.681 -12.003 -6.958 1.00 0.00 O ATOM 995 CB ALA A 65 0.549 -12.700 -6.330 1.00 0.00 C ATOM 0 H ALA A 65 -0.167 -10.388 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 65 2.050 -11.910 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.088 -13.627 -6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.157 -12.857 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.007 -12.399 -7.226 1.00 0.00 H new ATOM 1001 N GLU A 66 2.266 -10.626 -8.050 1.00 0.00 N ATOM 1002 CA GLU A 66 3.189 -10.367 -9.151 1.00 0.00 C ATOM 1003 C GLU A 66 4.288 -9.394 -8.729 1.00 0.00 C ATOM 1004 O GLU A 66 5.469 -9.638 -8.978 1.00 0.00 O ATOM 1005 CB GLU A 66 2.438 -9.808 -10.362 1.00 0.00 C ATOM 1006 CG GLU A 66 1.893 -10.882 -11.289 1.00 0.00 C ATOM 1007 CD GLU A 66 0.430 -11.193 -11.027 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -0.414 -10.301 -11.247 1.00 0.00 O ATOM 1009 OE2 GLU A 66 0.132 -12.328 -10.598 1.00 0.00 O ATOM 0 H GLU A 66 1.370 -10.145 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 66 3.652 -11.315 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.612 -9.188 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.107 -9.159 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.012 -10.559 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.481 -11.792 -11.170 1.00 0.00 H new ATOM 1016 N TYR A 67 3.893 -8.293 -8.085 1.00 0.00 N ATOM 1017 CA TYR A 67 4.848 -7.283 -7.625 1.00 0.00 C ATOM 1018 C TYR A 67 5.918 -7.898 -6.720 1.00 0.00 C ATOM 1019 O TYR A 67 7.065 -7.452 -6.720 1.00 0.00 O ATOM 1020 CB TYR A 67 4.125 -6.160 -6.880 1.00 0.00 C ATOM 1021 CG TYR A 67 3.764 -4.982 -7.761 1.00 0.00 C ATOM 1022 CD1 TYR A 67 2.677 -5.042 -8.624 1.00 0.00 C ATOM 1023 CD2 TYR A 67 4.513 -3.811 -7.730 1.00 0.00 C ATOM 1024 CE1 TYR A 67 2.345 -3.969 -9.429 1.00 0.00 C ATOM 1025 CE2 TYR A 67 4.186 -2.734 -8.531 1.00 0.00 C ATOM 1026 CZ TYR A 67 3.103 -2.818 -9.380 1.00 0.00 C ATOM 1027 OH TYR A 67 2.777 -1.746 -10.179 1.00 0.00 O ATOM 0 H TYR A 67 2.919 -8.079 -7.871 1.00 0.00 H new ATOM 0 HA TYR A 67 5.339 -6.871 -8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.216 -6.560 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.757 -5.812 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.082 -5.942 -8.666 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.364 -3.742 -7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.496 -4.032 -10.093 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.776 -1.830 -8.492 1.00 0.00 H new ATOM 0 HH TYR A 67 3.411 -1.016 -10.021 1.00 0.00 H new ATOM 1037 N TYR A 68 5.541 -8.925 -5.955 1.00 0.00 N ATOM 1038 CA TYR A 68 6.480 -9.596 -5.057 1.00 0.00 C ATOM 1039 C TYR A 68 7.661 -10.167 -5.839 1.00 0.00 C ATOM 1040 O TYR A 68 8.810 -10.069 -5.404 1.00 0.00 O ATOM 1041 CB TYR A 68 5.774 -10.713 -4.282 1.00 0.00 C ATOM 1042 CG TYR A 68 6.276 -10.883 -2.865 1.00 0.00 C ATOM 1043 CD1 TYR A 68 7.430 -11.611 -2.596 1.00 0.00 C ATOM 1044 CD2 TYR A 68 5.595 -10.317 -1.794 1.00 0.00 C ATOM 1045 CE1 TYR A 68 7.889 -11.770 -1.301 1.00 0.00 C ATOM 1046 CE2 TYR A 68 6.048 -10.471 -0.497 1.00 0.00 C ATOM 1047 CZ TYR A 68 7.195 -11.198 -0.256 1.00 0.00 C ATOM 1048 OH TYR A 68 7.651 -11.354 1.035 1.00 0.00 O ATOM 0 H TYR A 68 4.596 -9.308 -5.940 1.00 0.00 H new ATOM 0 HA TYR A 68 6.857 -8.859 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.704 -10.505 -4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.903 -11.653 -4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.977 -12.060 -3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.696 -9.747 -1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.787 -12.339 -1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.506 -10.024 0.324 1.00 0.00 H new ATOM 0 HH TYR A 68 7.049 -10.889 1.653 1.00 0.00 H new ATOM 1058 N GLU A 69 7.369 -10.751 -7.000 1.00 0.00 N ATOM 1059 CA GLU A 69 8.404 -11.327 -7.852 1.00 0.00 C ATOM 1060 C GLU A 69 9.026 -10.258 -8.748 1.00 0.00 C ATOM 1061 O GLU A 69 10.236 -10.259 -8.979 1.00 0.00 O ATOM 1062 CB GLU A 69 7.821 -12.452 -8.711 1.00 0.00 C ATOM 1063 CG GLU A 69 8.875 -13.385 -9.289 1.00 0.00 C ATOM 1064 CD GLU A 69 8.409 -14.092 -10.548 1.00 0.00 C ATOM 1065 OE1 GLU A 69 7.724 -15.129 -10.427 1.00 0.00 O ATOM 1066 OE2 GLU A 69 8.731 -13.609 -11.654 1.00 0.00 O ATOM 0 H GLU A 69 6.423 -10.837 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 69 9.183 -11.737 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.124 -13.034 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.248 -12.014 -9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.776 -12.814 -9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.146 -14.129 -8.539 1.00 0.00 H new ATOM 1073 N GLU A 70 8.190 -9.347 -9.250 1.00 0.00 N ATOM 1074 CA GLU A 70 8.658 -8.272 -10.122 1.00 0.00 C ATOM 1075 C GLU A 70 9.649 -7.361 -9.396 1.00 0.00 C ATOM 1076 O GLU A 70 10.644 -6.928 -9.979 1.00 0.00 O ATOM 1077 CB GLU A 70 7.475 -7.449 -10.641 1.00 0.00 C ATOM 1078 CG GLU A 70 7.686 -6.897 -12.043 1.00 0.00 C ATOM 1079 CD GLU A 70 6.382 -6.619 -12.766 1.00 0.00 C ATOM 1080 OE1 GLU A 70 5.773 -7.578 -13.284 1.00 0.00 O ATOM 1081 OE2 GLU A 70 5.970 -5.440 -12.815 1.00 0.00 O ATOM 0 H GLU A 70 7.187 -9.334 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 70 9.171 -8.730 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.580 -8.071 -10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.292 -6.620 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.267 -5.976 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.274 -7.607 -12.624 1.00 0.00 H new ATOM 1088 N ALA A 71 9.376 -7.077 -8.122 1.00 0.00 N ATOM 1089 CA ALA A 71 10.251 -6.223 -7.324 1.00 0.00 C ATOM 1090 C ALA A 71 11.395 -7.029 -6.707 1.00 0.00 C ATOM 1091 O ALA A 71 12.532 -6.557 -6.644 1.00 0.00 O ATOM 1092 CB ALA A 71 9.456 -5.508 -6.241 1.00 0.00 C ATOM 0 H ALA A 71 8.558 -7.426 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 71 10.686 -5.475 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.124 -4.876 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.685 -4.891 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.988 -6.244 -5.587 1.00 0.00 H new ATOM 1098 N GLY A 72 11.086 -8.248 -6.255 1.00 0.00 N ATOM 1099 CA GLY A 72 12.097 -9.103 -5.653 1.00 0.00 C ATOM 1100 C GLY A 72 12.660 -8.524 -4.368 1.00 0.00 C ATOM 1101 O GLY A 72 13.856 -8.239 -4.281 1.00 0.00 O ATOM 0 H GLY A 72 10.152 -8.656 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.664 -10.082 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.908 -9.256 -6.364 1.00 0.00 H new ATOM 1105 N ILE A 73 11.794 -8.351 -3.371 1.00 0.00 N ATOM 1106 CA ILE A 73 12.203 -7.799 -2.078 1.00 0.00 C ATOM 1107 C ILE A 73 13.337 -8.610 -1.444 1.00 0.00 C ATOM 1108 O ILE A 73 14.202 -8.050 -0.769 1.00 0.00 O ATOM 1109 CB ILE A 73 11.011 -7.723 -1.095 1.00 0.00 C ATOM 1110 CG1 ILE A 73 11.421 -7.007 0.197 1.00 0.00 C ATOM 1111 CG2 ILE A 73 10.471 -9.116 -0.787 1.00 0.00 C ATOM 1112 CD1 ILE A 73 11.724 -5.535 0.007 1.00 0.00 C ATOM 0 H ILE A 73 10.803 -8.585 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 73 12.567 -6.790 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 73 10.216 -7.148 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.621 -7.113 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.301 -7.499 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 73 9.634 -9.037 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.135 -9.588 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.259 -9.720 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.007 -5.095 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.544 -5.421 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 73 10.839 -5.028 -0.378 1.00 0.00 H new ATOM 1124 N HIS A 74 13.323 -9.927 -1.667 1.00 0.00 N ATOM 1125 CA HIS A 74 14.345 -10.820 -1.122 1.00 0.00 C ATOM 1126 C HIS A 74 14.368 -10.764 0.405 1.00 0.00 C ATOM 1127 O HIS A 74 15.137 -10.005 0.997 1.00 0.00 O ATOM 1128 CB HIS A 74 15.725 -10.461 -1.682 1.00 0.00 C ATOM 1129 CG HIS A 74 15.996 -11.050 -3.029 1.00 0.00 C ATOM 1130 ND1 HIS A 74 15.605 -10.448 -4.207 1.00 0.00 N ATOM 1131 CD2 HIS A 74 16.630 -12.192 -3.386 1.00 0.00 C ATOM 1132 CE1 HIS A 74 15.987 -11.194 -5.229 1.00 0.00 C ATOM 1133 NE2 HIS A 74 16.611 -12.257 -4.757 1.00 0.00 N ATOM 0 H HIS A 74 12.611 -10.399 -2.224 1.00 0.00 H new ATOM 0 HA HIS A 74 14.095 -11.837 -1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.811 -9.376 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.491 -10.802 -0.985 1.00 0.00 H new ATOM 0 HD1 HIS A 74 15.100 -9.565 -4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.069 -12.917 -2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.817 -10.972 -6.272 1.00 0.00 H new ATOM 1142 N PRO A 75 13.516 -11.570 1.066 1.00 0.00 N ATOM 1143 CA PRO A 75 13.439 -11.610 2.532 1.00 0.00 C ATOM 1144 C PRO A 75 14.698 -12.208 3.167 1.00 0.00 C ATOM 1145 O PRO A 75 14.946 -13.410 3.055 1.00 0.00 O ATOM 1146 CB PRO A 75 12.223 -12.502 2.803 1.00 0.00 C ATOM 1147 CG PRO A 75 12.090 -13.350 1.585 1.00 0.00 C ATOM 1148 CD PRO A 75 12.561 -12.502 0.437 1.00 0.00 C ATOM 0 HA PRO A 75 13.354 -10.612 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.371 -13.112 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.325 -11.906 2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.690 -14.256 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.057 -13.665 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.038 -13.103 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.734 -11.971 -0.036 1.00 0.00 H new ATOM 1156 N PRO A 76 15.510 -11.372 3.850 1.00 0.00 N ATOM 1157 CA PRO A 76 16.741 -11.828 4.506 1.00 0.00 C ATOM 1158 C PRO A 76 16.449 -12.713 5.713 1.00 0.00 C ATOM 1159 O PRO A 76 15.538 -12.428 6.494 1.00 0.00 O ATOM 1160 CB PRO A 76 17.419 -10.529 4.945 1.00 0.00 C ATOM 1161 CG PRO A 76 16.309 -9.545 5.076 1.00 0.00 C ATOM 1162 CD PRO A 76 15.289 -9.925 4.038 1.00 0.00 C ATOM 0 HA PRO A 76 17.357 -12.436 3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.947 -10.658 5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.155 -10.200 4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.877 -9.576 6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.668 -8.529 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.274 -9.715 4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.436 -9.373 3.110 1.00 0.00 H new ATOM 1170 N GLU A 77 17.221 -13.790 5.855 1.00 0.00 N ATOM 1171 CA GLU A 77 17.041 -14.726 6.962 1.00 0.00 C ATOM 1172 C GLU A 77 15.628 -15.312 6.947 1.00 0.00 C ATOM 1173 O GLU A 77 14.866 -15.150 7.903 1.00 0.00 O ATOM 1174 CB GLU A 77 17.311 -14.033 8.303 1.00 0.00 C ATOM 1175 CG GLU A 77 17.709 -14.996 9.411 1.00 0.00 C ATOM 1176 CD GLU A 77 19.212 -15.123 9.568 1.00 0.00 C ATOM 1177 OE1 GLU A 77 19.891 -15.446 8.569 1.00 0.00 O ATOM 1178 OE2 GLU A 77 19.712 -14.901 10.690 1.00 0.00 O ATOM 0 H GLU A 77 17.977 -14.035 5.216 1.00 0.00 H new ATOM 0 HA GLU A 77 17.756 -15.539 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 77 18.103 -13.296 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.418 -13.488 8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.277 -14.657 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 77 17.286 -15.978 9.202 1.00 0.00 H new ATOM 1185 N PRO A 78 15.255 -16.001 5.848 1.00 0.00 N ATOM 1186 CA PRO A 78 13.925 -16.609 5.707 1.00 0.00 C ATOM 1187 C PRO A 78 13.741 -17.834 6.608 1.00 0.00 C ATOM 1188 O PRO A 78 13.453 -18.933 6.129 1.00 0.00 O ATOM 1189 CB PRO A 78 13.875 -17.005 4.227 1.00 0.00 C ATOM 1190 CG PRO A 78 15.298 -17.211 3.841 1.00 0.00 C ATOM 1191 CD PRO A 78 16.097 -16.233 4.658 1.00 0.00 C ATOM 0 HA PRO A 78 13.128 -15.927 6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.290 -17.913 4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.410 -16.225 3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.612 -18.235 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.442 -17.037 2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.071 -16.640 4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.279 -15.309 4.110 1.00 0.00 H new ATOM 1199 N ILE A 79 13.908 -17.635 7.915 1.00 0.00 N ATOM 1200 CA ILE A 79 13.762 -18.714 8.890 1.00 0.00 C ATOM 1201 C ILE A 79 13.298 -18.179 10.246 1.00 0.00 C ATOM 1202 O ILE A 79 13.633 -18.740 11.291 1.00 0.00 O ATOM 1203 CB ILE A 79 15.088 -19.482 9.081 1.00 0.00 C ATOM 1204 CG1 ILE A 79 16.240 -18.509 9.348 1.00 0.00 C ATOM 1205 CG2 ILE A 79 15.384 -20.342 7.862 1.00 0.00 C ATOM 1206 CD1 ILE A 79 17.459 -19.169 9.953 1.00 0.00 C ATOM 0 H ILE A 79 14.146 -16.731 8.324 1.00 0.00 H new ATOM 0 HA ILE A 79 13.007 -19.394 8.495 1.00 0.00 H new ATOM 0 HB ILE A 79 14.986 -20.136 9.947 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.524 -18.029 8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.893 -17.722 10.018 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.322 -20.877 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.576 -21.060 7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 79 15.466 -19.707 6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 79 18.235 -18.421 10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.190 -19.626 10.906 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.831 -19.937 9.275 1.00 0.00 H new ATOM 1218 N ALA A 80 12.529 -17.089 10.226 1.00 0.00 N ATOM 1219 CA ALA A 80 12.034 -16.483 11.455 1.00 0.00 C ATOM 1220 C ALA A 80 10.698 -17.093 11.877 1.00 0.00 C ATOM 1221 O ALA A 80 9.634 -16.646 11.442 1.00 0.00 O ATOM 1222 CB ALA A 80 11.913 -14.975 11.284 1.00 0.00 C ATOM 0 H ALA A 80 12.238 -16.612 9.373 1.00 0.00 H new ATOM 0 HA ALA A 80 12.752 -16.688 12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.542 -14.533 12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 80 12.891 -14.556 11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.219 -14.755 10.473 1.00 0.00 H new ATOM 1228 N ALA A 81 10.769 -18.120 12.730 1.00 0.00 N ATOM 1229 CA ALA A 81 9.578 -18.809 13.231 1.00 0.00 C ATOM 1230 C ALA A 81 8.857 -19.573 12.118 1.00 0.00 C ATOM 1231 O ALA A 81 9.031 -19.281 10.933 1.00 0.00 O ATOM 1232 CB ALA A 81 8.635 -17.817 13.900 1.00 0.00 C ATOM 0 H ALA A 81 11.647 -18.494 13.090 1.00 0.00 H new ATOM 0 HA ALA A 81 9.903 -19.540 13.971 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.754 -18.343 14.268 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.145 -17.336 14.735 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.330 -17.060 13.177 1.00 0.00 H new ATOM 1238 N ALA A 82 8.047 -20.559 12.509 1.00 0.00 N ATOM 1239 CA ALA A 82 7.303 -21.367 11.544 1.00 0.00 C ATOM 1240 C ALA A 82 6.215 -22.202 12.223 1.00 0.00 C ATOM 1241 O ALA A 82 6.165 -22.296 13.451 1.00 0.00 O ATOM 1242 CB ALA A 82 8.256 -22.268 10.772 1.00 0.00 C ATOM 0 H ALA A 82 7.891 -20.816 13.484 1.00 0.00 H new ATOM 0 HA ALA A 82 6.810 -20.686 10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.692 -22.866 10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.984 -21.656 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.775 -22.928 11.466 1.00 0.00 H new ATOM 1248 N ALA A 83 5.349 -22.810 11.404 1.00 0.00 N ATOM 1249 CA ALA A 83 4.255 -23.648 11.896 1.00 0.00 C ATOM 1250 C ALA A 83 3.225 -22.828 12.673 1.00 0.00 C ATOM 1251 O ALA A 83 3.354 -22.617 13.879 1.00 0.00 O ATOM 1252 CB ALA A 83 4.796 -24.787 12.752 1.00 0.00 C ATOM 0 H ALA A 83 5.388 -22.734 10.388 1.00 0.00 H new ATOM 0 HA ALA A 83 3.749 -24.075 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.968 -25.399 13.109 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.471 -25.401 12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.337 -24.376 13.604 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -2.800 13.961 3.988 1.00 0.00 ZN