USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 640 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 58 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.011) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 56 LYS NZ :NH3+ 161:sc= -0.191 (180deg=-0.814) USER MOD Set 2.2: A 68 SER OG : rot -58:sc= 0.463 USER MOD Set 3.1: A 60 CYS SG : rot 165:sc= 0.215! USER MOD Set 3.2: A 63 CYS SG : rot -44:sc= 0.261 USER MOD Set 3.3: A 76 HIS : no HE2:sc= -4.99! C(o=-14!,f=-17!) USER MOD Set 3.4: A 80 HIS : no HE2:sc= -8.99! C(o=-14!,f=-15!) USER MOD Set 4.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 45 MET CE :methyl -142:sc= -0.314 (180deg=-1.77!) USER MOD Set 5.1: A 32 CYS SG : rot 129:sc= -1.92! USER MOD Set 5.2: A 35 CYS SG : rot -24:sc= 0.352 USER MOD Set 5.3: A 48 HIS : no HE2:sc= -4.06 K(o=-8.5,f=-12!) USER MOD Set 5.4: A 52 HIS : no HE2:sc= -2.89! C(o=-8.5!,f=-11!) USER MOD Set 6.1: A 19 THR OG1 : rot -82:sc= 0.812 USER MOD Set 6.2: A 40 HIS :FLIP no HE2:sc= -10.3! C(o=-11!,f=-9.5!) USER MOD Set 7.1: A 4 CYS SG : rot -158:sc= -0.197 USER MOD Set 7.2: A 7 CYS SG : rot -91:sc= -0.1! USER MOD Set 7.3: A 20 HIS : no HE2:sc= -4.79! C(o=-10!,f=-13!) USER MOD Set 7.4: A 24 HIS : no HE2:sc= -5.27! C(o=-10!,f=-12!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -137:sc= -0.957 (180deg=-2.75!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.141 USER MOD Single : A 16 THR OG1 : rot 50:sc= 0.166 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.787 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.23) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= -0.26 (180deg=-0.509) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 130:sc= -3.21! USER MOD Single : A 53 THR OG1 : rot 166:sc= -1.16! USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= -3.37! (180deg=-6.4!) USER MOD Single : A 61 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.773 K(o=-0.77,f=-2.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.7!) USER MOD Single : A 75 THR OG1 : rot 87:sc= 0.00457 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -131:sc= -1.78 (180deg=-4.17!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N PHE A 2 -11.623 -6.663 36.950 1.00 70.07 N ATOM 15 CA PHE A 2 -12.576 -5.513 36.892 1.00 70.07 C ATOM 16 C PHE A 2 -13.414 -5.630 35.618 1.00 70.07 C ATOM 17 O PHE A 2 -12.896 -5.782 34.529 1.00 70.07 O ATOM 18 CB PHE A 2 -11.806 -4.194 36.892 1.00 70.07 C ATOM 19 CG PHE A 2 -10.725 -4.239 37.939 1.00 70.07 C ATOM 20 CD1 PHE A 2 -9.471 -4.765 37.624 1.00 70.07 C ATOM 21 CD2 PHE A 2 -10.979 -3.753 39.223 1.00 70.07 C ATOM 22 CE1 PHE A 2 -8.469 -4.808 38.590 1.00 70.07 C ATOM 23 CE2 PHE A 2 -9.975 -3.793 40.196 1.00 70.07 C ATOM 24 CZ PHE A 2 -8.718 -4.324 39.881 1.00 70.07 C ATOM 0 HA PHE A 2 -13.229 -5.532 37.765 1.00 70.07 H new ATOM 0 HB2 PHE A 2 -11.368 -4.017 35.910 1.00 70.07 H new ATOM 0 HB3 PHE A 2 -12.485 -3.365 37.092 1.00 70.07 H new ATOM 0 HD1 PHE A 2 -9.278 -5.139 36.630 1.00 70.07 H new ATOM 0 HD2 PHE A 2 -11.950 -3.347 39.465 1.00 70.07 H new ATOM 0 HE1 PHE A 2 -7.499 -5.215 38.344 1.00 70.07 H new ATOM 0 HE2 PHE A 2 -10.169 -3.415 41.189 1.00 70.07 H new ATOM 0 HZ PHE A 2 -7.942 -4.360 40.632 1.00 70.07 H new ATOM 34 N ASP A 3 -14.716 -5.590 35.760 1.00 83.59 N ATOM 35 CA ASP A 3 -15.612 -5.735 34.574 1.00 83.59 C ATOM 36 C ASP A 3 -16.229 -4.395 34.152 1.00 83.59 C ATOM 37 O ASP A 3 -16.674 -3.601 34.960 1.00 83.59 O ATOM 38 CB ASP A 3 -16.722 -6.736 34.897 1.00 83.59 C ATOM 39 CG ASP A 3 -17.642 -6.178 35.984 1.00 83.59 C ATOM 40 OD1 ASP A 3 -17.322 -6.346 37.149 1.00 83.59 O ATOM 41 OD2 ASP A 3 -18.657 -5.600 35.632 1.00 83.59 O ATOM 0 H ASP A 3 -15.197 -5.463 36.650 1.00 83.59 H new ATOM 0 HA ASP A 3 -15.009 -6.095 33.740 1.00 83.59 H new ATOM 0 HB2 ASP A 3 -17.299 -6.951 33.998 1.00 83.59 H new ATOM 0 HB3 ASP A 3 -16.286 -7.678 35.229 1.00 83.59 H new ATOM 46 N CYS A 4 -16.252 -4.174 32.864 1.00 50.89 N ATOM 47 CA CYS A 4 -16.831 -2.910 32.286 1.00 50.89 C ATOM 48 C CYS A 4 -18.358 -2.957 32.329 1.00 50.89 C ATOM 49 O CYS A 4 -18.984 -3.926 31.940 1.00 50.89 O ATOM 50 CB CYS A 4 -16.383 -2.717 30.824 1.00 50.89 C ATOM 51 SG CYS A 4 -17.619 -1.723 29.927 1.00 50.89 S ATOM 0 H CYS A 4 -15.888 -4.826 32.169 1.00 50.89 H new ATOM 0 HA CYS A 4 -16.468 -2.076 32.887 1.00 50.89 H new ATOM 0 HB2 CYS A 4 -15.413 -2.221 30.794 1.00 50.89 H new ATOM 0 HB3 CYS A 4 -16.261 -3.686 30.340 1.00 50.89 H new ATOM 0 HG CYS A 4 -17.507 -1.941 28.650 1.00 50.89 H new ATOM 56 N LYS A 5 -18.950 -1.913 32.838 1.00 99.16 N ATOM 57 CA LYS A 5 -20.432 -1.864 32.957 1.00 99.16 C ATOM 58 C LYS A 5 -21.013 -1.064 31.795 1.00 99.16 C ATOM 59 O LYS A 5 -22.016 -0.393 31.932 1.00 99.16 O ATOM 60 CB LYS A 5 -20.801 -1.199 34.287 1.00 99.16 C ATOM 61 CG LYS A 5 -20.175 -2.007 35.433 1.00 99.16 C ATOM 62 CD LYS A 5 -19.948 -1.111 36.656 1.00 99.16 C ATOM 63 CE LYS A 5 -18.626 -0.354 36.505 1.00 99.16 C ATOM 64 NZ LYS A 5 -18.689 0.898 37.305 1.00 99.16 N ATOM 0 H LYS A 5 -18.464 -1.084 33.180 1.00 99.16 H new ATOM 0 HA LYS A 5 -20.841 -2.874 32.928 1.00 99.16 H new ATOM 0 HB2 LYS A 5 -20.439 -0.171 34.308 1.00 99.16 H new ATOM 0 HB3 LYS A 5 -21.884 -1.158 34.401 1.00 99.16 H new ATOM 0 HG2 LYS A 5 -20.828 -2.838 35.699 1.00 99.16 H new ATOM 0 HG3 LYS A 5 -19.228 -2.437 35.108 1.00 99.16 H new ATOM 0 HD2 LYS A 5 -20.772 -0.405 36.759 1.00 99.16 H new ATOM 0 HD3 LYS A 5 -19.930 -1.715 37.563 1.00 99.16 H new ATOM 0 HE2 LYS A 5 -17.796 -0.975 36.843 1.00 99.16 H new ATOM 0 HE3 LYS A 5 -18.443 -0.121 35.456 1.00 99.16 H new ATOM 0 HZ1 LYS A 5 -17.794 1.418 37.207 1.00 99.16 H new ATOM 0 HZ2 LYS A 5 -19.472 1.490 36.962 1.00 99.16 H new ATOM 0 HZ3 LYS A 5 -18.845 0.663 38.306 1.00 99.16 H new ATOM 78 N ILE A 6 -20.383 -1.115 30.655 1.00112.28 N ATOM 79 CA ILE A 6 -20.885 -0.347 29.479 1.00112.28 C ATOM 80 C ILE A 6 -21.036 -1.293 28.306 1.00112.28 C ATOM 81 O ILE A 6 -22.115 -1.753 27.996 1.00112.28 O ATOM 82 CB ILE A 6 -19.869 0.739 29.107 1.00112.28 C ATOM 83 CG1 ILE A 6 -19.487 1.544 30.353 1.00112.28 C ATOM 84 CG2 ILE A 6 -20.442 1.674 28.030 1.00112.28 C ATOM 85 CD1 ILE A 6 -20.544 2.612 30.642 1.00112.28 C ATOM 0 H ILE A 6 -19.537 -1.659 30.485 1.00112.28 H new ATOM 0 HA ILE A 6 -21.843 0.112 29.723 1.00112.28 H new ATOM 0 HB ILE A 6 -18.978 0.257 28.704 1.00112.28 H new ATOM 0 HG12 ILE A 6 -19.391 0.877 31.210 1.00112.28 H new ATOM 0 HG13 ILE A 6 -18.515 2.015 30.206 1.00112.28 H new ATOM 0 HG21 ILE A 6 -19.705 2.437 27.781 1.00112.28 H new ATOM 0 HG22 ILE A 6 -20.682 1.097 27.137 1.00112.28 H new ATOM 0 HG23 ILE A 6 -21.346 2.152 28.407 1.00112.28 H new ATOM 0 HD11 ILE A 6 -20.258 3.176 31.530 1.00112.28 H new ATOM 0 HD12 ILE A 6 -20.619 3.289 29.791 1.00112.28 H new ATOM 0 HD13 ILE A 6 -21.508 2.133 30.811 1.00112.28 H new ATOM 97 N CYS A 7 -19.956 -1.624 27.664 1.00 82.08 N ATOM 98 CA CYS A 7 -20.071 -2.574 26.533 1.00 82.08 C ATOM 99 C CYS A 7 -20.072 -3.966 27.136 1.00 82.08 C ATOM 100 O CYS A 7 -20.976 -4.751 26.914 1.00 82.08 O ATOM 101 CB CYS A 7 -18.920 -2.401 25.542 1.00 82.08 C ATOM 102 SG CYS A 7 -17.348 -2.811 26.321 1.00 82.08 S ATOM 0 H CYS A 7 -19.016 -1.285 27.868 1.00 82.08 H new ATOM 0 HA CYS A 7 -20.986 -2.394 25.968 1.00 82.08 H new ATOM 0 HB2 CYS A 7 -19.080 -3.041 24.674 1.00 82.08 H new ATOM 0 HB3 CYS A 7 -18.896 -1.373 25.180 1.00 82.08 H new ATOM 0 HG CYS A 7 -16.832 -1.740 26.846 1.00 82.08 H new ATOM 107 N GLY A 8 -19.090 -4.254 27.964 1.00195.93 N ATOM 108 CA GLY A 8 -19.067 -5.580 28.656 1.00195.93 C ATOM 109 C GLY A 8 -17.798 -6.399 28.365 1.00195.93 C ATOM 110 O GLY A 8 -17.852 -7.497 27.844 1.00195.93 O ATOM 0 H GLY A 8 -18.312 -3.632 28.186 1.00195.93 H new ATOM 0 HA2 GLY A 8 -19.150 -5.422 29.731 1.00195.93 H new ATOM 0 HA3 GLY A 8 -19.940 -6.156 28.350 1.00195.93 H new ATOM 114 N LYS A 9 -16.672 -5.882 28.759 1.00114.22 N ATOM 115 CA LYS A 9 -15.371 -6.606 28.607 1.00114.22 C ATOM 116 C LYS A 9 -14.669 -6.528 29.975 1.00114.22 C ATOM 117 O LYS A 9 -15.059 -5.739 30.813 1.00114.22 O ATOM 118 CB LYS A 9 -14.531 -5.952 27.507 1.00114.22 C ATOM 119 CG LYS A 9 -13.121 -6.541 27.510 1.00114.22 C ATOM 120 CD LYS A 9 -12.325 -5.921 26.360 1.00114.22 C ATOM 121 CE LYS A 9 -10.858 -6.368 26.420 1.00114.22 C ATOM 122 NZ LYS A 9 -10.344 -6.571 25.033 1.00114.22 N ATOM 0 H LYS A 9 -16.591 -4.962 29.193 1.00114.22 H new ATOM 0 HA LYS A 9 -15.517 -7.645 28.313 1.00114.22 H new ATOM 0 HB2 LYS A 9 -14.999 -6.112 26.536 1.00114.22 H new ATOM 0 HB3 LYS A 9 -14.485 -4.874 27.665 1.00114.22 H new ATOM 0 HG2 LYS A 9 -12.629 -6.338 28.462 1.00114.22 H new ATOM 0 HG3 LYS A 9 -13.164 -7.624 27.398 1.00114.22 H new ATOM 0 HD2 LYS A 9 -12.763 -6.216 25.406 1.00114.22 H new ATOM 0 HD3 LYS A 9 -12.383 -4.834 26.414 1.00114.22 H new ATOM 0 HE2 LYS A 9 -10.259 -5.618 26.936 1.00114.22 H new ATOM 0 HE3 LYS A 9 -10.771 -7.293 26.991 1.00114.22 H new ATOM 0 HZ1 LYS A 9 -9.350 -6.874 25.072 1.00114.22 H new ATOM 0 HZ2 LYS A 9 -10.910 -7.302 24.556 1.00114.22 H new ATOM 0 HZ3 LYS A 9 -10.413 -5.679 24.503 1.00114.22 H new ATOM 136 N SER A 10 -13.695 -7.363 30.259 1.00 78.05 N ATOM 137 CA SER A 10 -13.077 -7.314 31.625 1.00 78.05 C ATOM 138 C SER A 10 -11.611 -6.892 31.587 1.00 78.05 C ATOM 139 O SER A 10 -10.980 -6.820 30.552 1.00 78.05 O ATOM 140 CB SER A 10 -13.212 -8.687 32.296 0.50 78.05 C ATOM 141 OG SER A 10 -12.063 -9.473 32.015 1.00 78.05 O ATOM 0 H SER A 10 -13.309 -8.060 29.622 1.00 78.05 H new ATOM 0 HA SER A 10 -13.611 -6.559 32.202 1.00 78.05 H new ATOM 0 HB2 SER A 10 -13.327 -8.566 33.373 0.50 78.05 H new ATOM 0 HB3 SER A 10 -14.107 -9.193 31.934 0.50 78.05 H new ATOM 0 HG SER A 10 -12.152 -10.348 32.446 1.00 78.05 H new ATOM 147 N PHE A 11 -11.089 -6.592 32.751 1.00 54.66 N ATOM 148 CA PHE A 11 -9.671 -6.145 32.876 1.00 54.66 C ATOM 149 C PHE A 11 -9.053 -6.649 34.174 1.00 54.66 C ATOM 150 O PHE A 11 -9.621 -6.550 35.235 1.00 54.66 O ATOM 151 CB PHE A 11 -9.633 -4.623 32.840 1.00 54.66 C ATOM 152 CG PHE A 11 -10.381 -4.193 31.612 1.00 54.66 C ATOM 153 CD1 PHE A 11 -9.720 -4.113 30.382 1.00 54.66 C ATOM 154 CD2 PHE A 11 -11.750 -3.928 31.693 1.00 54.66 C ATOM 155 CE1 PHE A 11 -10.430 -3.763 29.232 1.00 54.66 C ATOM 156 CE2 PHE A 11 -12.463 -3.589 30.541 1.00 54.66 C ATOM 157 CZ PHE A 11 -11.803 -3.507 29.311 1.00 54.66 C ATOM 0 H PHE A 11 -11.597 -6.640 33.634 1.00 54.66 H new ATOM 0 HA PHE A 11 -9.093 -6.555 32.048 1.00 54.66 H new ATOM 0 HB2 PHE A 11 -10.091 -4.205 33.736 1.00 54.66 H new ATOM 0 HB3 PHE A 11 -8.604 -4.264 32.810 1.00 54.66 H new ATOM 0 HD1 PHE A 11 -8.662 -4.322 30.322 1.00 54.66 H new ATOM 0 HD2 PHE A 11 -12.256 -3.985 32.645 1.00 54.66 H new ATOM 0 HE1 PHE A 11 -9.920 -3.690 28.283 1.00 54.66 H new ATOM 0 HE2 PHE A 11 -13.523 -3.390 30.600 1.00 54.66 H new ATOM 0 HZ PHE A 11 -12.354 -3.245 28.420 1.00 54.66 H new ATOM 167 N LYS A 12 -7.883 -7.210 34.064 1.00101.13 N ATOM 168 CA LYS A 12 -7.180 -7.751 35.264 1.00101.13 C ATOM 169 C LYS A 12 -6.709 -6.600 36.160 1.00101.13 C ATOM 170 O LYS A 12 -6.401 -6.801 37.316 1.00101.13 O ATOM 171 CB LYS A 12 -5.949 -8.573 34.834 1.00101.13 C ATOM 172 CG LYS A 12 -5.834 -9.838 35.704 1.00101.13 C ATOM 173 CD LYS A 12 -6.589 -10.994 35.036 1.00101.13 C ATOM 174 CE LYS A 12 -5.816 -11.491 33.804 1.00101.13 C ATOM 175 NZ LYS A 12 -6.403 -10.884 32.577 1.00101.13 N ATOM 0 H LYS A 12 -7.376 -7.319 33.185 1.00101.13 H new ATOM 0 HA LYS A 12 -7.876 -8.387 35.811 1.00101.13 H new ATOM 0 HB2 LYS A 12 -6.035 -8.850 33.783 1.00101.13 H new ATOM 0 HB3 LYS A 12 -5.046 -7.970 34.932 1.00101.13 H new ATOM 0 HG2 LYS A 12 -4.786 -10.105 35.838 1.00101.13 H new ATOM 0 HG3 LYS A 12 -6.244 -9.648 36.696 1.00101.13 H new ATOM 0 HD2 LYS A 12 -6.720 -11.811 35.746 1.00101.13 H new ATOM 0 HD3 LYS A 12 -7.585 -10.665 34.741 1.00101.13 H new ATOM 0 HE2 LYS A 12 -4.763 -11.223 33.888 1.00101.13 H new ATOM 0 HE3 LYS A 12 -5.864 -12.578 33.744 1.00101.13 H new ATOM 0 HZ1 LYS A 12 -6.479 -11.608 31.834 1.00101.13 H new ATOM 0 HZ2 LYS A 12 -7.349 -10.509 32.793 1.00101.13 H new ATOM 0 HZ3 LYS A 12 -5.792 -10.111 32.246 1.00101.13 H new ATOM 189 N ARG A 13 -6.608 -5.404 35.624 1.00 74.89 N ATOM 190 CA ARG A 13 -6.115 -4.250 36.449 1.00 74.89 C ATOM 191 C ARG A 13 -7.129 -3.115 36.414 1.00 74.89 C ATOM 192 O ARG A 13 -7.674 -2.787 35.379 1.00 74.89 O ATOM 193 CB ARG A 13 -4.767 -3.770 35.899 1.00 74.89 C ATOM 194 CG ARG A 13 -3.629 -4.465 36.666 1.00 74.89 C ATOM 195 CD ARG A 13 -3.231 -3.630 37.890 1.00 74.89 C ATOM 196 NE ARG A 13 -4.255 -3.803 38.965 1.00 74.89 N ATOM 197 CZ ARG A 13 -4.557 -2.809 39.761 1.00 74.89 C ATOM 198 NH1 ARG A 13 -3.979 -1.649 39.613 1.00 74.89 N ATOM 199 NH2 ARG A 13 -5.439 -2.980 40.708 1.00 74.89 N ATOM 0 H ARG A 13 -6.844 -5.177 34.658 1.00 74.89 H new ATOM 0 HA ARG A 13 -5.987 -4.572 37.482 1.00 74.89 H new ATOM 0 HB2 ARG A 13 -4.694 -3.995 34.835 1.00 74.89 H new ATOM 0 HB3 ARG A 13 -4.683 -2.688 36.003 1.00 74.89 H new ATOM 0 HG2 ARG A 13 -3.947 -5.459 36.982 1.00 74.89 H new ATOM 0 HG3 ARG A 13 -2.768 -4.599 36.012 1.00 74.89 H new ATOM 0 HD2 ARG A 13 -2.251 -3.941 38.253 1.00 74.89 H new ATOM 0 HD3 ARG A 13 -3.150 -2.578 37.616 1.00 74.89 H new ATOM 0 HE ARG A 13 -4.722 -4.703 39.079 1.00 74.89 H new ATOM 0 HH11 ARG A 13 -3.289 -1.514 38.875 1.00 74.89 H new ATOM 0 HH12 ARG A 13 -4.218 -0.877 40.236 1.00 74.89 H new ATOM 0 HH21 ARG A 13 -5.891 -3.887 40.826 1.00 74.89 H new ATOM 0 HH22 ARG A 13 -5.676 -2.207 41.330 1.00 74.89 H new ATOM 213 N SER A 14 -7.393 -2.505 37.537 1.00 25.87 N ATOM 214 CA SER A 14 -8.377 -1.397 37.538 1.00 25.87 C ATOM 215 C SER A 14 -7.925 -0.356 36.530 1.00 25.87 C ATOM 216 O SER A 14 -8.725 0.304 35.912 1.00 25.87 O ATOM 217 CB SER A 14 -8.456 -0.761 38.922 1.00 25.87 C ATOM 218 OG SER A 14 -9.281 0.393 38.855 1.00 25.87 O ATOM 0 H SER A 14 -6.974 -2.725 38.441 1.00 25.87 H new ATOM 0 HA SER A 14 -9.362 -1.782 37.275 1.00 25.87 H new ATOM 0 HB2 SER A 14 -8.862 -1.473 39.641 1.00 25.87 H new ATOM 0 HB3 SER A 14 -7.459 -0.491 39.270 1.00 25.87 H new ATOM 0 HG SER A 14 -9.338 0.806 39.742 1.00 25.87 H new ATOM 224 N SER A 15 -6.640 -0.198 36.373 1.00 23.45 N ATOM 225 CA SER A 15 -6.124 0.805 35.407 1.00 23.45 C ATOM 226 C SER A 15 -6.521 0.387 33.997 1.00 23.45 C ATOM 227 O SER A 15 -6.934 1.201 33.192 1.00 23.45 O ATOM 228 CB SER A 15 -4.598 0.884 35.507 1.00 23.45 C ATOM 229 OG SER A 15 -4.037 -0.417 35.363 1.00 23.45 O ATOM 0 H SER A 15 -5.924 -0.724 36.875 1.00 23.45 H new ATOM 0 HA SER A 15 -6.547 1.783 35.636 1.00 23.45 H new ATOM 0 HB2 SER A 15 -4.208 1.546 34.734 1.00 23.45 H new ATOM 0 HB3 SER A 15 -4.309 1.310 36.468 1.00 23.45 H new ATOM 0 HG SER A 15 -3.061 -0.361 35.426 1.00 23.45 H new ATOM 235 N THR A 16 -6.418 -0.874 33.673 1.00 32.27 N ATOM 236 CA THR A 16 -6.809 -1.303 32.308 1.00 32.27 C ATOM 237 C THR A 16 -8.303 -1.025 32.154 1.00 32.27 C ATOM 238 O THR A 16 -8.781 -0.659 31.095 1.00 32.27 O ATOM 239 CB THR A 16 -6.527 -2.800 32.159 1.00 32.27 C ATOM 240 OG1 THR A 16 -6.496 -3.402 33.440 1.00 32.27 O ATOM 241 CG2 THR A 16 -5.192 -3.021 31.469 1.00 32.27 C ATOM 0 H THR A 16 -6.084 -1.615 34.289 1.00 32.27 H new ATOM 0 HA THR A 16 -6.247 -0.766 31.543 1.00 32.27 H new ATOM 0 HB THR A 16 -7.316 -3.249 31.556 1.00 32.27 H new ATOM 0 HG1 THR A 16 -7.298 -3.145 33.942 1.00 32.27 H new ATOM 0 HG21 THR A 16 -5.006 -4.090 31.371 1.00 32.27 H new ATOM 0 HG22 THR A 16 -5.214 -2.564 30.480 1.00 32.27 H new ATOM 0 HG23 THR A 16 -4.397 -2.567 32.061 1.00 32.27 H new ATOM 249 N LEU A 17 -9.036 -1.153 33.228 1.00 97.78 N ATOM 250 CA LEU A 17 -10.490 -0.844 33.167 1.00 97.78 C ATOM 251 C LEU A 17 -10.593 0.669 33.061 1.00 97.78 C ATOM 252 O LEU A 17 -11.303 1.189 32.247 1.00 97.78 O ATOM 253 CB LEU A 17 -11.212 -1.339 34.432 1.00 97.78 C ATOM 254 CG LEU A 17 -12.585 -0.659 34.569 1.00 97.78 C ATOM 255 CD1 LEU A 17 -13.501 -1.091 33.419 1.00 97.78 C ATOM 256 CD2 LEU A 17 -13.220 -1.068 35.902 1.00 97.78 C ATOM 0 H LEU A 17 -8.691 -1.456 34.139 1.00 97.78 H new ATOM 0 HA LEU A 17 -10.960 -1.342 32.319 1.00 97.78 H new ATOM 0 HB2 LEU A 17 -11.338 -2.421 34.386 1.00 97.78 H new ATOM 0 HB3 LEU A 17 -10.605 -1.126 35.312 1.00 97.78 H new ATOM 0 HG LEU A 17 -12.454 0.423 34.536 1.00 97.78 H new ATOM 0 HD11 LEU A 17 -14.471 -0.605 33.524 1.00 97.78 H new ATOM 0 HD12 LEU A 17 -13.052 -0.803 32.468 1.00 97.78 H new ATOM 0 HD13 LEU A 17 -13.633 -2.173 33.445 1.00 97.78 H new ATOM 0 HD21 LEU A 17 -14.194 -0.588 36.004 1.00 97.78 H new ATOM 0 HD22 LEU A 17 -13.344 -2.151 35.929 1.00 97.78 H new ATOM 0 HD23 LEU A 17 -12.575 -0.756 36.723 1.00 97.78 H new ATOM 268 N SER A 18 -9.863 1.379 33.868 1.00 34.23 N ATOM 269 CA SER A 18 -9.896 2.860 33.795 1.00 34.23 C ATOM 270 C SER A 18 -9.725 3.277 32.337 1.00 34.23 C ATOM 271 O SER A 18 -10.579 3.922 31.771 1.00 34.23 O ATOM 272 CB SER A 18 -8.745 3.431 34.631 0.50 34.23 C ATOM 273 OG SER A 18 -8.886 4.842 34.738 1.00 34.23 O ATOM 0 H SER A 18 -9.241 0.994 34.579 1.00 34.23 H new ATOM 0 HA SER A 18 -10.843 3.237 34.181 1.00 34.23 H new ATOM 0 HB2 SER A 18 -8.744 2.979 35.623 0.50 34.23 H new ATOM 0 HB3 SER A 18 -7.789 3.185 34.168 0.50 34.23 H new ATOM 0 HG SER A 18 -8.150 5.205 35.274 1.00 34.23 H new ATOM 279 N THR A 19 -8.637 2.895 31.718 1.00 30.69 N ATOM 280 CA THR A 19 -8.417 3.263 30.285 1.00 30.69 C ATOM 281 C THR A 19 -9.607 2.802 29.464 1.00 30.69 C ATOM 282 O THR A 19 -10.034 3.449 28.525 1.00 30.69 O ATOM 283 CB THR A 19 -7.171 2.559 29.774 1.00 30.69 C ATOM 284 OG1 THR A 19 -6.062 2.928 30.573 1.00 30.69 O ATOM 285 CG2 THR A 19 -6.915 2.944 28.316 1.00 30.69 C ATOM 0 H THR A 19 -7.891 2.344 32.142 1.00 30.69 H new ATOM 0 HA THR A 19 -8.298 4.343 30.199 1.00 30.69 H new ATOM 0 HB THR A 19 -7.316 1.480 29.832 1.00 30.69 H new ATOM 0 HG1 THR A 19 -5.711 3.791 30.267 1.00 30.69 H new ATOM 0 HG21 THR A 19 -6.020 2.435 27.957 1.00 30.69 H new ATOM 0 HG22 THR A 19 -7.769 2.649 27.706 1.00 30.69 H new ATOM 0 HG23 THR A 19 -6.773 4.022 28.244 1.00 30.69 H new ATOM 293 N HIS A 20 -10.150 1.685 29.808 1.00 81.83 N ATOM 294 CA HIS A 20 -11.312 1.187 29.057 1.00 81.83 C ATOM 295 C HIS A 20 -12.503 2.124 29.333 1.00 81.83 C ATOM 296 O HIS A 20 -13.204 2.582 28.435 1.00 81.83 O ATOM 297 CB HIS A 20 -11.618 -0.236 29.526 1.00 81.83 C ATOM 298 CG HIS A 20 -12.797 -0.735 28.781 1.00 81.83 C ATOM 299 ND1 HIS A 20 -12.691 -1.394 27.551 1.00 81.83 N ATOM 300 CD2 HIS A 20 -14.125 -0.611 29.037 1.00 81.83 C ATOM 301 CE1 HIS A 20 -13.943 -1.625 27.117 1.00 81.83 C ATOM 302 NE2 HIS A 20 -14.813 -1.162 27.998 1.00 81.83 N ATOM 0 H HIS A 20 -9.839 1.094 30.579 1.00 81.83 H new ATOM 0 HA HIS A 20 -11.115 1.169 27.985 1.00 81.83 H new ATOM 0 HB2 HIS A 20 -10.759 -0.884 29.353 1.00 81.83 H new ATOM 0 HB3 HIS A 20 -11.815 -0.247 30.598 1.00 81.83 H new ATOM 0 HD1 HIS A 20 -11.827 -1.651 27.074 1.00 81.83 H new ATOM 0 HD2 HIS A 20 -14.561 -0.154 29.913 1.00 81.83 H new ATOM 0 HE1 HIS A 20 -14.199 -2.115 26.189 1.00 81.83 H new ATOM 310 N LEU A 21 -12.728 2.444 30.574 1.00156.93 N ATOM 311 CA LEU A 21 -13.844 3.350 30.882 1.00156.93 C ATOM 312 C LEU A 21 -13.560 4.645 30.149 1.00156.93 C ATOM 313 O LEU A 21 -14.446 5.309 29.651 1.00156.93 O ATOM 314 CB LEU A 21 -13.920 3.587 32.393 1.00156.93 C ATOM 315 CG LEU A 21 -14.464 2.320 33.069 1.00156.93 C ATOM 316 CD1 LEU A 21 -14.346 2.450 34.587 1.00156.93 C ATOM 317 CD2 LEU A 21 -15.942 2.117 32.691 1.00156.93 C ATOM 0 H LEU A 21 -12.189 2.117 31.376 1.00156.93 H new ATOM 0 HA LEU A 21 -14.800 2.931 30.569 1.00156.93 H new ATOM 0 HB2 LEU A 21 -12.933 3.830 32.786 1.00156.93 H new ATOM 0 HB3 LEU A 21 -14.567 4.437 32.609 1.00156.93 H new ATOM 0 HG LEU A 21 -13.882 1.463 32.730 1.00156.93 H new ATOM 0 HD11 LEU A 21 -14.734 1.548 35.061 1.00156.93 H new ATOM 0 HD12 LEU A 21 -13.299 2.582 34.861 1.00156.93 H new ATOM 0 HD13 LEU A 21 -14.921 3.313 34.924 1.00156.93 H new ATOM 0 HD21 LEU A 21 -16.321 1.216 33.174 1.00156.93 H new ATOM 0 HD22 LEU A 21 -16.524 2.978 33.021 1.00156.93 H new ATOM 0 HD23 LEU A 21 -16.030 2.013 31.610 1.00156.93 H new ATOM 329 N LEU A 22 -12.289 4.974 30.056 1.00 64.07 N ATOM 330 CA LEU A 22 -11.883 6.192 29.329 1.00 64.07 C ATOM 331 C LEU A 22 -12.309 6.014 27.876 1.00 64.07 C ATOM 332 O LEU A 22 -12.653 6.960 27.213 1.00 64.07 O ATOM 333 CB LEU A 22 -10.358 6.404 29.407 1.00 64.07 C ATOM 334 CG LEU A 22 -9.862 6.539 30.870 1.00 64.07 C ATOM 335 CD1 LEU A 22 -8.538 7.325 30.918 1.00 64.07 C ATOM 336 CD2 LEU A 22 -10.904 7.249 31.746 1.00 64.07 C ATOM 0 H LEU A 22 -11.521 4.438 30.460 1.00 64.07 H new ATOM 0 HA LEU A 22 -12.356 7.067 29.775 1.00 64.07 H new ATOM 0 HB2 LEU A 22 -9.851 5.566 28.929 1.00 64.07 H new ATOM 0 HB3 LEU A 22 -10.088 7.301 28.849 1.00 64.07 H new ATOM 0 HG LEU A 22 -9.704 5.533 31.258 1.00 64.07 H new ATOM 0 HD11 LEU A 22 -8.203 7.411 31.952 1.00 64.07 H new ATOM 0 HD12 LEU A 22 -7.782 6.800 30.334 1.00 64.07 H new ATOM 0 HD13 LEU A 22 -8.691 8.321 30.502 1.00 64.07 H new ATOM 0 HD21 LEU A 22 -10.528 7.329 32.766 1.00 64.07 H new ATOM 0 HD22 LEU A 22 -11.093 8.247 31.350 1.00 64.07 H new ATOM 0 HD23 LEU A 22 -11.831 6.676 31.745 1.00 64.07 H new ATOM 348 N ILE A 23 -12.328 4.805 27.367 1.00150.10 N ATOM 349 CA ILE A 23 -12.784 4.621 25.960 1.00150.10 C ATOM 350 C ILE A 23 -14.242 5.055 25.874 1.00150.10 C ATOM 351 O ILE A 23 -14.678 5.613 24.885 1.00150.10 O ATOM 352 CB ILE A 23 -12.693 3.144 25.557 1.00150.10 C ATOM 353 CG1 ILE A 23 -11.226 2.720 25.470 1.00150.10 C ATOM 354 CG2 ILE A 23 -13.350 2.958 24.190 1.00150.10 C ATOM 355 CD1 ILE A 23 -11.141 1.234 25.112 1.00150.10 C ATOM 0 H ILE A 23 -12.052 3.954 27.857 1.00150.10 H new ATOM 0 HA ILE A 23 -12.154 5.212 25.295 1.00150.10 H new ATOM 0 HB ILE A 23 -13.202 2.533 26.303 1.00150.10 H new ATOM 0 HG12 ILE A 23 -10.709 3.316 24.718 1.00150.10 H new ATOM 0 HG13 ILE A 23 -10.727 2.904 26.421 1.00150.10 H new ATOM 0 HG21 ILE A 23 -13.289 1.910 23.897 1.00150.10 H new ATOM 0 HG22 ILE A 23 -14.396 3.259 24.245 1.00150.10 H new ATOM 0 HG23 ILE A 23 -12.834 3.572 23.452 1.00150.10 H new ATOM 0 HD11 ILE A 23 -10.095 0.934 25.050 1.00150.10 H new ATOM 0 HD12 ILE A 23 -11.643 0.645 25.880 1.00150.10 H new ATOM 0 HD13 ILE A 23 -11.625 1.063 24.150 1.00150.10 H new ATOM 367 N HIS A 24 -15.000 4.818 26.915 1.00 55.94 N ATOM 368 CA HIS A 24 -16.442 5.251 26.889 1.00 55.94 C ATOM 369 C HIS A 24 -16.544 6.716 27.340 1.00 55.94 C ATOM 370 O HIS A 24 -17.560 7.356 27.153 1.00 55.94 O ATOM 371 CB HIS A 24 -17.305 4.410 27.844 1.00 55.94 C ATOM 372 CG HIS A 24 -17.344 2.950 27.442 1.00 55.94 C ATOM 373 ND1 HIS A 24 -17.931 2.493 26.249 1.00 55.94 N ATOM 374 CD2 HIS A 24 -16.906 1.823 28.095 1.00 55.94 C ATOM 375 CE1 HIS A 24 -17.825 1.137 26.232 1.00 55.94 C ATOM 376 NE2 HIS A 24 -17.219 0.709 27.332 1.00 55.94 N ATOM 0 H HIS A 24 -14.696 4.352 27.770 1.00 55.94 H new ATOM 0 HA HIS A 24 -16.803 5.121 25.869 1.00 55.94 H new ATOM 0 HB2 HIS A 24 -16.912 4.496 28.857 1.00 55.94 H new ATOM 0 HB3 HIS A 24 -18.320 4.808 27.860 1.00 55.94 H new ATOM 0 HD1 HIS A 24 -18.359 3.073 25.527 1.00 55.94 H new ATOM 0 HD2 HIS A 24 -16.400 1.808 29.049 1.00 55.94 H new ATOM 0 HE1 HIS A 24 -18.183 0.500 25.437 1.00 55.94 H new ATOM 384 N SER A 25 -15.505 7.257 27.931 1.00 89.10 N ATOM 385 CA SER A 25 -15.554 8.683 28.390 1.00 89.10 C ATOM 386 C SER A 25 -14.662 9.538 27.491 1.00 89.10 C ATOM 387 O SER A 25 -14.511 10.723 27.701 1.00 89.10 O ATOM 388 CB SER A 25 -15.022 8.782 29.825 1.00 89.10 C ATOM 389 OG SER A 25 -13.610 8.959 29.782 1.00 89.10 O ATOM 0 H SER A 25 -14.626 6.774 28.115 1.00 89.10 H new ATOM 0 HA SER A 25 -16.585 9.033 28.346 1.00 89.10 H new ATOM 0 HB2 SER A 25 -15.491 9.618 30.344 1.00 89.10 H new ATOM 0 HB3 SER A 25 -15.272 7.880 30.383 1.00 89.10 H new ATOM 0 HG SER A 25 -13.261 9.025 30.695 1.00 89.10 H new ATOM 395 N ASP A 26 -14.042 8.924 26.522 1.00 62.89 N ATOM 396 CA ASP A 26 -13.104 9.651 25.612 1.00 62.89 C ATOM 397 C ASP A 26 -12.486 10.849 26.349 1.00 62.89 C ATOM 398 O ASP A 26 -12.500 11.965 25.865 1.00 62.89 O ATOM 399 CB ASP A 26 -13.848 10.123 24.363 1.00 62.89 C ATOM 400 CG ASP A 26 -14.739 8.995 23.844 1.00 62.89 C ATOM 401 OD1 ASP A 26 -14.217 7.921 23.590 1.00 62.89 O ATOM 402 OD2 ASP A 26 -15.929 9.224 23.706 1.00 62.89 O ATOM 0 H ASP A 26 -14.146 7.930 26.316 1.00 62.89 H new ATOM 0 HA ASP A 26 -12.305 8.975 25.308 1.00 62.89 H new ATOM 0 HB2 ASP A 26 -14.452 11.000 24.596 1.00 62.89 H new ATOM 0 HB3 ASP A 26 -13.136 10.422 23.594 1.00 62.89 H new ATOM 407 N THR A 27 -11.938 10.617 27.514 1.00115.68 N ATOM 408 CA THR A 27 -11.308 11.730 28.288 1.00115.68 C ATOM 409 C THR A 27 -10.075 12.225 27.529 1.00115.68 C ATOM 410 O THR A 27 -9.883 13.408 27.332 1.00115.68 O ATOM 411 CB THR A 27 -10.892 11.228 29.677 1.00115.68 C ATOM 412 OG1 THR A 27 -9.917 12.101 30.227 1.00115.68 O ATOM 413 CG2 THR A 27 -10.309 9.821 29.568 1.00115.68 C ATOM 0 H THR A 27 -11.899 9.703 27.964 1.00115.68 H new ATOM 0 HA THR A 27 -12.022 12.545 28.406 1.00115.68 H new ATOM 0 HB THR A 27 -11.769 11.205 30.325 1.00115.68 H new ATOM 0 HG1 THR A 27 -9.654 11.780 31.115 1.00115.68 H new ATOM 0 HG21 THR A 27 -10.016 9.471 30.558 1.00115.68 H new ATOM 0 HG22 THR A 27 -11.059 9.148 29.152 1.00115.68 H new ATOM 0 HG23 THR A 27 -9.436 9.839 28.916 1.00115.68 H new ATOM 421 N ARG A 28 -9.252 11.314 27.087 1.00115.33 N ATOM 422 CA ARG A 28 -8.029 11.686 26.312 1.00115.33 C ATOM 423 C ARG A 28 -7.394 12.976 26.854 1.00115.33 C ATOM 424 O ARG A 28 -7.351 13.983 26.174 1.00115.33 O ATOM 425 CB ARG A 28 -8.423 11.883 24.844 1.00115.33 C ATOM 426 CG ARG A 28 -8.407 10.533 24.116 1.00115.33 C ATOM 427 CD ARG A 28 -9.296 9.532 24.862 1.00115.33 C ATOM 428 NE ARG A 28 -9.347 8.248 24.109 1.00115.33 N ATOM 429 CZ ARG A 28 -9.653 7.139 24.729 1.00115.33 C ATOM 430 NH1 ARG A 28 -9.932 7.158 26.005 1.00115.33 N ATOM 431 NH2 ARG A 28 -9.685 6.011 24.074 1.00115.33 N ATOM 0 H ARG A 28 -9.375 10.312 27.231 1.00115.33 H new ATOM 0 HA ARG A 28 -7.294 10.887 26.408 1.00115.33 H new ATOM 0 HB2 ARG A 28 -9.416 12.329 24.781 1.00115.33 H new ATOM 0 HB3 ARG A 28 -7.732 12.575 24.362 1.00115.33 H new ATOM 0 HG2 ARG A 28 -8.762 10.657 23.093 1.00115.33 H new ATOM 0 HG3 ARG A 28 -7.387 10.154 24.056 1.00115.33 H new ATOM 0 HD2 ARG A 28 -8.905 9.361 25.865 1.00115.33 H new ATOM 0 HD3 ARG A 28 -10.301 9.938 24.976 1.00115.33 H new ATOM 0 HE ARG A 28 -9.143 8.234 23.110 1.00115.33 H new ATOM 0 HH11 ARG A 28 -9.911 8.039 26.519 1.00115.33 H new ATOM 0 HH12 ARG A 28 -10.171 6.292 26.488 1.00115.33 H new ATOM 0 HH21 ARG A 28 -9.471 5.994 23.077 1.00115.33 H new ATOM 0 HH22 ARG A 28 -9.924 5.146 24.559 1.00115.33 H new ATOM 445 N PRO A 29 -6.891 12.941 28.063 1.00 90.27 N ATOM 446 CA PRO A 29 -6.231 14.118 28.704 1.00 90.27 C ATOM 447 C PRO A 29 -4.750 14.286 28.299 1.00 90.27 C ATOM 448 O PRO A 29 -3.939 14.750 29.078 1.00 90.27 O ATOM 449 CB PRO A 29 -6.337 13.800 30.198 1.00 90.27 C ATOM 450 CG PRO A 29 -6.361 12.306 30.286 1.00 90.27 C ATOM 451 CD PRO A 29 -6.916 11.779 28.958 1.00 90.27 C ATOM 0 HA PRO A 29 -6.703 15.053 28.404 1.00 90.27 H new ATOM 0 HB2 PRO A 29 -5.491 14.212 30.748 1.00 90.27 H new ATOM 0 HB3 PRO A 29 -7.240 14.233 30.629 1.00 90.27 H new ATOM 0 HG2 PRO A 29 -5.359 11.916 30.466 1.00 90.27 H new ATOM 0 HG3 PRO A 29 -6.984 11.980 31.119 1.00 90.27 H new ATOM 0 HD2 PRO A 29 -6.306 10.964 28.568 1.00 90.27 H new ATOM 0 HD3 PRO A 29 -7.928 11.391 29.077 1.00 90.27 H new ATOM 459 N TYR A 30 -4.386 13.904 27.101 1.00131.19 N ATOM 460 CA TYR A 30 -2.958 14.042 26.662 1.00131.19 C ATOM 461 C TYR A 30 -2.937 14.598 25.233 1.00131.19 C ATOM 462 O TYR A 30 -2.741 13.872 24.283 1.00131.19 O ATOM 463 CB TYR A 30 -2.276 12.667 26.691 1.00131.19 C ATOM 464 CG TYR A 30 -1.954 12.285 28.121 1.00131.19 C ATOM 465 CD1 TYR A 30 -2.904 11.611 28.900 1.00131.19 C ATOM 466 CD2 TYR A 30 -0.706 12.607 28.668 1.00131.19 C ATOM 467 CE1 TYR A 30 -2.607 11.263 30.225 1.00131.19 C ATOM 468 CE2 TYR A 30 -0.409 12.258 29.993 1.00131.19 C ATOM 469 CZ TYR A 30 -1.359 11.587 30.771 1.00131.19 C ATOM 470 OH TYR A 30 -1.066 11.251 32.079 1.00131.19 O ATOM 0 H TYR A 30 -5.014 13.502 26.405 1.00131.19 H new ATOM 0 HA TYR A 30 -2.425 14.717 27.332 1.00131.19 H new ATOM 0 HB2 TYR A 30 -2.928 11.918 26.243 1.00131.19 H new ATOM 0 HB3 TYR A 30 -1.363 12.691 26.097 1.00131.19 H new ATOM 0 HD1 TYR A 30 -3.866 11.359 28.479 1.00131.19 H new ATOM 0 HD2 TYR A 30 0.028 13.125 28.069 1.00131.19 H new ATOM 0 HE1 TYR A 30 -3.341 10.745 30.825 1.00131.19 H new ATOM 0 HE2 TYR A 30 0.554 12.507 30.414 1.00131.19 H new ATOM 0 HH TYR A 30 -0.158 11.548 32.297 1.00131.19 H new ATOM 480 N PRO A 31 -3.182 15.876 25.088 1.00108.54 N ATOM 481 CA PRO A 31 -3.240 16.559 23.751 1.00108.54 C ATOM 482 C PRO A 31 -1.893 16.607 22.991 1.00108.54 C ATOM 483 O PRO A 31 -0.828 16.491 23.569 1.00108.54 O ATOM 484 CB PRO A 31 -3.750 17.976 24.090 0.50108.54 C ATOM 485 CG PRO A 31 -4.286 17.883 25.487 0.50108.54 C ATOM 486 CD PRO A 31 -3.445 16.820 26.175 0.50108.54 C ATOM 0 HA PRO A 31 -3.883 16.009 23.064 1.00108.54 H new ATOM 0 HB2 PRO A 31 -2.946 18.709 24.026 0.50108.54 H new ATOM 0 HB3 PRO A 31 -4.525 18.292 23.392 0.50108.54 H new ATOM 0 HG2 PRO A 31 -4.207 18.840 26.002 0.50108.54 H new ATOM 0 HG3 PRO A 31 -5.341 17.608 25.485 0.50108.54 H new ATOM 0 HD2 PRO A 31 -2.524 17.234 26.586 0.50108.54 H new ATOM 0 HD3 PRO A 31 -3.980 16.350 27.001 0.50108.54 H new ATOM 494 N CYS A 32 -1.955 16.820 21.689 1.00 43.40 N ATOM 495 CA CYS A 32 -0.721 16.927 20.851 1.00 43.40 C ATOM 496 C CYS A 32 -0.199 18.352 20.935 1.00 43.40 C ATOM 497 O CYS A 32 -0.938 19.315 20.867 1.00 43.40 O ATOM 498 CB CYS A 32 -1.040 16.584 19.389 1.00 43.40 C ATOM 499 SG CYS A 32 0.151 17.387 18.286 1.00 43.40 S ATOM 0 H CYS A 32 -2.827 16.925 21.170 1.00 43.40 H new ATOM 0 HA CYS A 32 0.030 16.227 21.218 1.00 43.40 H new ATOM 0 HB2 CYS A 32 -1.009 15.504 19.246 1.00 43.40 H new ATOM 0 HB3 CYS A 32 -2.051 16.909 19.144 1.00 43.40 H new ATOM 0 HG CYS A 32 0.655 16.505 17.475 1.00 43.40 H new ATOM 504 N GLN A 33 1.089 18.477 21.085 1.00113.04 N ATOM 505 CA GLN A 33 1.719 19.813 21.182 1.00113.04 C ATOM 506 C GLN A 33 1.859 20.423 19.783 1.00113.04 C ATOM 507 O GLN A 33 2.074 21.612 19.661 1.00113.04 O ATOM 508 CB GLN A 33 3.112 19.675 21.835 1.00113.04 C ATOM 509 CG GLN A 33 3.400 20.887 22.733 1.00113.04 C ATOM 510 CD GLN A 33 2.502 20.825 23.972 1.00113.04 C ATOM 511 OE1 GLN A 33 2.542 19.863 24.712 1.00113.04 O ATOM 512 NE2 GLN A 33 1.691 21.814 24.236 1.00113.04 N ATOM 0 H GLN A 33 1.739 17.693 21.145 1.00113.04 H new ATOM 0 HA GLN A 33 1.095 20.466 21.793 1.00113.04 H new ATOM 0 HB2 GLN A 33 3.156 18.759 22.424 1.00113.04 H new ATOM 0 HB3 GLN A 33 3.877 19.595 21.063 1.00113.04 H new ATOM 0 HG2 GLN A 33 4.449 20.893 23.030 1.00113.04 H new ATOM 0 HG3 GLN A 33 3.219 21.811 22.185 1.00113.04 H new ATOM 0 HE21 GLN A 33 1.655 22.623 23.616 1.00113.04 H new ATOM 0 HE22 GLN A 33 1.094 21.777 25.062 1.00113.04 H new ATOM 521 N TYR A 34 1.759 19.643 18.724 1.00118.47 N ATOM 522 CA TYR A 34 1.918 20.248 17.360 1.00118.47 C ATOM 523 C TYR A 34 0.605 20.243 16.552 1.00118.47 C ATOM 524 O TYR A 34 0.037 21.286 16.294 1.00118.47 O ATOM 525 CB TYR A 34 3.003 19.502 16.580 1.00118.47 C ATOM 526 CG TYR A 34 4.238 19.371 17.438 1.00118.47 C ATOM 527 CD1 TYR A 34 4.290 18.395 18.435 1.00118.47 C ATOM 528 CD2 TYR A 34 5.330 20.228 17.238 1.00118.47 C ATOM 529 CE1 TYR A 34 5.435 18.271 19.237 1.00118.47 C ATOM 530 CE2 TYR A 34 6.474 20.106 18.039 1.00118.47 C ATOM 531 CZ TYR A 34 6.527 19.126 19.039 1.00118.47 C ATOM 532 OH TYR A 34 7.658 18.998 19.826 1.00118.47 O ATOM 0 H TYR A 34 1.579 18.639 18.745 1.00118.47 H new ATOM 0 HA TYR A 34 2.208 21.289 17.505 1.00118.47 H new ATOM 0 HB2 TYR A 34 2.643 18.515 16.288 1.00118.47 H new ATOM 0 HB3 TYR A 34 3.240 20.039 15.662 1.00118.47 H new ATOM 0 HD1 TYR A 34 3.449 17.735 18.589 1.00118.47 H new ATOM 0 HD2 TYR A 34 5.290 20.983 16.466 1.00118.47 H new ATOM 0 HE1 TYR A 34 5.474 17.516 20.008 1.00118.47 H new ATOM 0 HE2 TYR A 34 7.314 20.767 17.885 1.00118.47 H new ATOM 0 HH TYR A 34 8.321 19.667 19.557 1.00118.47 H new ATOM 542 N CYS A 35 0.135 19.100 16.098 1.00 56.06 N ATOM 543 CA CYS A 35 -1.121 19.115 15.248 1.00 56.06 C ATOM 544 C CYS A 35 -2.427 19.155 16.071 1.00 56.06 C ATOM 545 O CYS A 35 -3.451 19.555 15.560 1.00 56.06 O ATOM 546 CB CYS A 35 -1.157 17.952 14.243 1.00 56.06 C ATOM 547 SG CYS A 35 -1.395 16.360 15.056 1.00 56.06 S ATOM 0 H CYS A 35 0.546 18.182 16.268 1.00 56.06 H new ATOM 0 HA CYS A 35 -1.069 20.051 14.692 1.00 56.06 H new ATOM 0 HB2 CYS A 35 -1.962 18.117 13.527 1.00 56.06 H new ATOM 0 HB3 CYS A 35 -0.226 17.934 13.677 1.00 56.06 H new ATOM 0 HG CYS A 35 -0.983 16.435 16.287 1.00 56.06 H new ATOM 552 N GLY A 36 -2.413 18.808 17.334 1.00 19.15 N ATOM 553 CA GLY A 36 -3.679 18.918 18.151 1.00 19.15 C ATOM 554 C GLY A 36 -4.235 17.545 18.621 1.00 19.15 C ATOM 555 O GLY A 36 -4.769 17.440 19.705 1.00 19.15 O ATOM 0 H GLY A 36 -1.597 18.458 17.836 1.00 19.15 H new ATOM 0 HA2 GLY A 36 -3.485 19.541 19.024 1.00 19.15 H new ATOM 0 HA3 GLY A 36 -4.441 19.426 17.560 1.00 19.15 H new ATOM 559 N LYS A 37 -4.104 16.501 17.821 1.00 73.47 N ATOM 560 CA LYS A 37 -4.615 15.133 18.229 1.00 73.47 C ATOM 561 C LYS A 37 -4.639 14.995 19.752 1.00 73.47 C ATOM 562 O LYS A 37 -3.840 15.567 20.455 1.00 73.47 O ATOM 563 CB LYS A 37 -3.704 14.045 17.635 1.00 73.47 C ATOM 564 CG LYS A 37 -4.154 13.742 16.193 1.00 73.47 C ATOM 565 CD LYS A 37 -3.832 12.286 15.814 1.00 73.47 C ATOM 566 CE LYS A 37 -5.077 11.414 16.011 1.00 73.47 C ATOM 567 NZ LYS A 37 -5.475 11.420 17.448 1.00 73.47 N ATOM 0 H LYS A 37 -3.665 16.535 16.901 1.00 73.47 H new ATOM 0 HA LYS A 37 -5.630 15.017 17.850 1.00 73.47 H new ATOM 0 HB2 LYS A 37 -2.666 14.378 17.643 1.00 73.47 H new ATOM 0 HB3 LYS A 37 -3.753 13.141 18.242 1.00 73.47 H new ATOM 0 HG2 LYS A 37 -5.225 13.919 16.097 1.00 73.47 H new ATOM 0 HG3 LYS A 37 -3.655 14.421 15.501 1.00 73.47 H new ATOM 0 HD2 LYS A 37 -3.501 12.235 14.777 1.00 73.47 H new ATOM 0 HD3 LYS A 37 -3.013 11.912 16.429 1.00 73.47 H new ATOM 0 HE2 LYS A 37 -5.895 11.788 15.396 1.00 73.47 H new ATOM 0 HE3 LYS A 37 -4.873 10.394 15.685 1.00 73.47 H new ATOM 0 HZ1 LYS A 37 -6.197 10.689 17.611 1.00 73.47 H new ATOM 0 HZ2 LYS A 37 -4.643 11.223 18.040 1.00 73.47 H new ATOM 0 HZ3 LYS A 37 -5.864 12.352 17.697 1.00 73.47 H new ATOM 581 N ARG A 38 -5.555 14.223 20.257 1.00160.56 N ATOM 582 CA ARG A 38 -5.657 14.015 21.725 1.00160.56 C ATOM 583 C ARG A 38 -5.398 12.541 22.006 1.00160.56 C ATOM 584 O ARG A 38 -5.898 11.668 21.324 1.00160.56 O ATOM 585 CB ARG A 38 -7.064 14.387 22.219 1.00160.56 C ATOM 586 CG ARG A 38 -7.537 15.714 21.585 1.00160.56 C ATOM 587 CD ARG A 38 -7.243 16.903 22.516 1.00160.56 C ATOM 588 NE ARG A 38 -6.225 17.784 21.875 1.00160.56 N ATOM 589 CZ ARG A 38 -6.593 18.821 21.168 1.00160.56 C ATOM 590 NH1 ARG A 38 -7.859 19.097 21.007 1.00160.56 N ATOM 591 NH2 ARG A 38 -5.687 19.584 20.621 1.00160.56 N ATOM 0 H ARG A 38 -6.249 13.719 19.706 1.00160.56 H new ATOM 0 HA ARG A 38 -4.931 14.643 22.242 1.00160.56 H new ATOM 0 HB2 ARG A 38 -7.764 13.590 21.969 1.00160.56 H new ATOM 0 HB3 ARG A 38 -7.060 14.479 23.305 1.00160.56 H new ATOM 0 HG2 ARG A 38 -7.036 15.863 20.628 1.00160.56 H new ATOM 0 HG3 ARG A 38 -8.606 15.663 21.380 1.00160.56 H new ATOM 0 HD2 ARG A 38 -8.157 17.464 22.710 1.00160.56 H new ATOM 0 HD3 ARG A 38 -6.878 16.545 23.479 1.00160.56 H new ATOM 0 HE ARG A 38 -5.233 17.576 21.989 1.00160.56 H new ATOM 0 HH11 ARG A 38 -8.569 18.502 21.434 1.00160.56 H new ATOM 0 HH12 ARG A 38 -8.138 19.908 20.454 1.00160.56 H new ATOM 0 HH21 ARG A 38 -4.697 19.370 20.746 1.00160.56 H new ATOM 0 HH22 ARG A 38 -5.968 20.394 20.069 1.00160.56 H new ATOM 605 N PHE A 39 -4.622 12.257 23.020 1.00 72.45 N ATOM 606 CA PHE A 39 -4.318 10.843 23.380 1.00 72.45 C ATOM 607 C PHE A 39 -4.693 10.630 24.839 1.00 72.45 C ATOM 608 O PHE A 39 -5.109 11.552 25.519 1.00 72.45 O ATOM 609 CB PHE A 39 -2.823 10.575 23.210 1.00 72.45 C ATOM 610 CG PHE A 39 -2.400 11.087 21.869 1.00 72.45 C ATOM 611 CD1 PHE A 39 -2.566 10.290 20.737 1.00 72.45 C ATOM 612 CD2 PHE A 39 -1.871 12.371 21.757 1.00 72.45 C ATOM 613 CE1 PHE A 39 -2.198 10.782 19.483 1.00 72.45 C ATOM 614 CE2 PHE A 39 -1.510 12.868 20.511 1.00 72.45 C ATOM 615 CZ PHE A 39 -1.672 12.074 19.369 1.00 72.45 C ATOM 0 H PHE A 39 -4.182 12.954 23.620 1.00 72.45 H new ATOM 0 HA PHE A 39 -4.880 10.168 22.734 1.00 72.45 H new ATOM 0 HB2 PHE A 39 -2.257 11.069 24.000 1.00 72.45 H new ATOM 0 HB3 PHE A 39 -2.618 9.508 23.290 1.00 72.45 H new ATOM 0 HD1 PHE A 39 -2.978 9.296 20.830 1.00 72.45 H new ATOM 0 HD2 PHE A 39 -1.742 12.980 22.639 1.00 72.45 H new ATOM 0 HE1 PHE A 39 -2.319 10.167 18.603 1.00 72.45 H new ATOM 0 HE2 PHE A 39 -1.105 13.865 20.423 1.00 72.45 H new ATOM 0 HZ PHE A 39 -1.391 12.459 18.400 1.00 72.45 H new ATOM 625 N HIS A 40 -4.560 9.428 25.329 1.00 97.77 N ATOM 626 CA HIS A 40 -4.927 9.164 26.749 1.00 97.77 C ATOM 627 C HIS A 40 -3.697 8.808 27.592 1.00 97.77 C ATOM 628 O HIS A 40 -3.741 8.872 28.804 1.00 97.77 O ATOM 629 CB HIS A 40 -5.918 7.999 26.802 1.00 97.77 C ATOM 630 CG HIS A 40 -5.747 7.273 28.110 1.00 97.77 C ATOM 631 ND1 HIS A 40 -5.878 7.686 29.413 1.00 97.77 N flip ATOM 632 CD2 HIS A 40 -5.326 5.956 28.169 1.00 97.77 C flip ATOM 633 CE1 HIS A 40 -5.533 6.645 30.269 1.00 97.77 C flip ATOM 634 NE2 HIS A 40 -5.208 5.628 29.469 1.00 97.77 N flip ATOM 0 H HIS A 40 -4.215 8.621 24.810 1.00 97.77 H new ATOM 0 HA HIS A 40 -5.372 10.071 27.158 1.00 97.77 H new ATOM 0 HB2 HIS A 40 -6.939 8.368 26.706 1.00 97.77 H new ATOM 0 HB3 HIS A 40 -5.745 7.319 25.968 1.00 97.77 H new ATOM 0 HD1 HIS A 40 -6.182 8.614 29.708 1.00 97.77 H new ATOM 0 HD2 HIS A 40 -5.128 5.310 27.326 1.00 97.77 H new ATOM 0 HE1 HIS A 40 -5.529 6.657 31.349 1.00 97.77 H new ATOM 642 N GLN A 41 -2.615 8.401 26.984 1.00106.11 N ATOM 643 CA GLN A 41 -1.423 8.011 27.804 1.00106.11 C ATOM 644 C GLN A 41 -0.191 8.843 27.440 1.00106.11 C ATOM 645 O GLN A 41 0.181 8.953 26.290 1.00106.11 O ATOM 646 CB GLN A 41 -1.122 6.538 27.555 1.00106.11 C ATOM 647 CG GLN A 41 -2.389 5.723 27.783 1.00106.11 C ATOM 648 CD GLN A 41 -2.112 4.262 27.447 1.00106.11 C ATOM 649 OE1 GLN A 41 -1.023 3.918 27.032 1.00106.11 O ATOM 650 NE2 GLN A 41 -3.056 3.380 27.613 1.00106.11 N ATOM 0 H GLN A 41 -2.501 8.321 25.974 1.00106.11 H new ATOM 0 HA GLN A 41 -1.652 8.191 28.854 1.00106.11 H new ATOM 0 HB2 GLN A 41 -0.762 6.395 26.536 1.00106.11 H new ATOM 0 HB3 GLN A 41 -0.331 6.198 28.224 1.00106.11 H new ATOM 0 HG2 GLN A 41 -2.713 5.815 28.820 1.00106.11 H new ATOM 0 HG3 GLN A 41 -3.198 6.105 27.161 1.00106.11 H new ATOM 0 HE21 GLN A 41 -3.970 3.670 27.961 1.00106.11 H new ATOM 0 HE22 GLN A 41 -2.882 2.399 27.395 1.00106.11 H new ATOM 659 N LYS A 42 0.447 9.426 28.415 1.00136.29 N ATOM 660 CA LYS A 42 1.659 10.252 28.141 1.00136.29 C ATOM 661 C LYS A 42 2.548 9.556 27.100 1.00136.29 C ATOM 662 O LYS A 42 2.655 9.992 25.973 1.00136.29 O ATOM 663 CB LYS A 42 2.447 10.421 29.444 1.00136.29 C ATOM 664 CG LYS A 42 3.557 11.456 29.259 1.00136.29 C ATOM 665 CD LYS A 42 3.029 12.853 29.566 1.00136.29 C ATOM 666 CE LYS A 42 4.116 13.880 29.274 1.00136.29 C ATOM 667 NZ LYS A 42 3.540 15.236 29.442 1.00136.29 N ATOM 0 H LYS A 42 0.180 9.366 29.398 1.00136.29 H new ATOM 0 HA LYS A 42 1.354 11.225 27.755 1.00136.29 H new ATOM 0 HB2 LYS A 42 1.777 10.735 30.245 1.00136.29 H new ATOM 0 HB3 LYS A 42 2.877 9.465 29.744 1.00136.29 H new ATOM 0 HG2 LYS A 42 4.395 11.223 29.916 1.00136.29 H new ATOM 0 HG3 LYS A 42 3.933 11.418 28.237 1.00136.29 H new ATOM 0 HD2 LYS A 42 2.145 13.061 28.962 1.00136.29 H new ATOM 0 HD3 LYS A 42 2.724 12.917 30.610 1.00136.29 H new ATOM 0 HE2 LYS A 42 4.960 13.741 29.950 1.00136.29 H new ATOM 0 HE3 LYS A 42 4.495 13.752 28.260 1.00136.29 H new ATOM 0 HZ1 LYS A 42 4.270 15.950 29.246 1.00136.29 H new ATOM 0 HZ2 LYS A 42 2.747 15.361 28.780 1.00136.29 H new ATOM 0 HZ3 LYS A 42 3.198 15.349 30.418 1.00136.29 H new ATOM 681 N SER A 43 3.189 8.481 27.466 1.00 65.22 N ATOM 682 CA SER A 43 4.073 7.770 26.495 1.00 65.22 C ATOM 683 C SER A 43 3.393 7.663 25.123 1.00 65.22 C ATOM 684 O SER A 43 4.045 7.656 24.099 1.00 65.22 O ATOM 685 CB SER A 43 4.377 6.374 27.030 1.00 65.22 C ATOM 686 OG SER A 43 3.159 5.728 27.373 1.00 65.22 O ATOM 0 H SER A 43 3.140 8.063 28.395 1.00 65.22 H new ATOM 0 HA SER A 43 4.999 8.333 26.376 1.00 65.22 H new ATOM 0 HB2 SER A 43 4.912 5.792 26.279 1.00 65.22 H new ATOM 0 HB3 SER A 43 5.026 6.440 27.903 1.00 65.22 H new ATOM 0 HG SER A 43 3.350 4.830 27.716 1.00 65.22 H new ATOM 692 N ASP A 44 2.092 7.613 25.076 1.00 40.66 N ATOM 693 CA ASP A 44 1.429 7.546 23.744 1.00 40.66 C ATOM 694 C ASP A 44 1.602 8.899 23.069 1.00 40.66 C ATOM 695 O ASP A 44 2.010 8.980 21.927 1.00 40.66 O ATOM 696 CB ASP A 44 -0.054 7.213 23.879 1.00 40.66 C ATOM 697 CG ASP A 44 -0.219 5.727 24.193 1.00 40.66 C ATOM 698 OD1 ASP A 44 0.662 5.176 24.834 1.00 40.66 O ATOM 699 OD2 ASP A 44 -1.222 5.164 23.790 1.00 40.66 O ATOM 0 H ASP A 44 1.469 7.615 25.884 1.00 40.66 H new ATOM 0 HA ASP A 44 1.885 6.755 23.148 1.00 40.66 H new ATOM 0 HB2 ASP A 44 -0.501 7.814 24.671 1.00 40.66 H new ATOM 0 HB3 ASP A 44 -0.578 7.460 22.956 1.00 40.66 H new ATOM 704 N MET A 45 1.339 9.975 23.753 1.00 31.66 N ATOM 705 CA MET A 45 1.548 11.294 23.114 1.00 31.66 C ATOM 706 C MET A 45 3.042 11.440 22.821 1.00 31.66 C ATOM 707 O MET A 45 3.431 11.806 21.738 1.00 31.66 O ATOM 708 CB MET A 45 1.093 12.403 24.066 0.50 31.66 C ATOM 709 CG MET A 45 1.440 13.781 23.476 0.50 31.66 C ATOM 710 SD MET A 45 2.848 14.485 24.371 1.00 31.66 S ATOM 711 CE MET A 45 2.066 14.577 26.002 1.00 31.66 C ATOM 0 H MET A 45 0.994 9.996 24.712 1.00 31.66 H new ATOM 0 HA MET A 45 0.972 11.370 22.192 1.00 31.66 H new ATOM 0 HB2 MET A 45 0.018 12.331 24.234 0.50 31.66 H new ATOM 0 HB3 MET A 45 1.576 12.282 25.036 0.50 31.66 H new ATOM 0 HG2 MET A 45 1.680 13.685 22.417 0.50 31.66 H new ATOM 0 HG3 MET A 45 0.580 14.447 23.549 0.50 31.66 H new ATOM 0 HE1 MET A 45 2.382 15.490 26.506 1.00 31.66 H new ATOM 0 HE2 MET A 45 0.982 14.583 25.886 1.00 31.66 H new ATOM 0 HE3 MET A 45 2.363 13.713 26.597 1.00 31.66 H new ATOM 721 N LYS A 46 3.891 11.153 23.785 1.00103.12 N ATOM 722 CA LYS A 46 5.354 11.288 23.535 1.00103.12 C ATOM 723 C LYS A 46 5.684 10.537 22.257 1.00103.12 C ATOM 724 O LYS A 46 6.510 10.949 21.466 1.00103.12 O ATOM 725 CB LYS A 46 6.168 10.698 24.686 1.00103.12 C ATOM 726 CG LYS A 46 6.038 11.570 25.934 1.00103.12 C ATOM 727 CD LYS A 46 6.972 11.003 27.009 1.00103.12 C ATOM 728 CE LYS A 46 7.169 12.022 28.134 1.00103.12 C ATOM 729 NZ LYS A 46 8.089 11.466 29.173 1.00103.12 N ATOM 0 H LYS A 46 3.633 10.836 24.719 1.00103.12 H new ATOM 0 HA LYS A 46 5.606 12.345 23.449 1.00103.12 H new ATOM 0 HB2 LYS A 46 5.822 9.687 24.903 1.00103.12 H new ATOM 0 HB3 LYS A 46 7.216 10.621 24.396 1.00103.12 H new ATOM 0 HG2 LYS A 46 6.302 12.603 25.706 1.00103.12 H new ATOM 0 HG3 LYS A 46 5.007 11.575 26.289 1.00103.12 H new ATOM 0 HD2 LYS A 46 6.554 10.081 27.413 1.00103.12 H new ATOM 0 HD3 LYS A 46 7.935 10.749 26.566 1.00103.12 H new ATOM 0 HE2 LYS A 46 7.580 12.947 27.730 1.00103.12 H new ATOM 0 HE3 LYS A 46 6.207 12.270 28.583 1.00103.12 H new ATOM 0 HZ1 LYS A 46 8.217 12.164 29.933 1.00103.12 H new ATOM 0 HZ2 LYS A 46 7.680 10.595 29.568 1.00103.12 H new ATOM 0 HZ3 LYS A 46 9.011 11.251 28.742 1.00103.12 H new ATOM 743 N LYS A 47 5.021 9.441 22.039 1.00 48.51 N ATOM 744 CA LYS A 47 5.274 8.678 20.798 1.00 48.51 C ATOM 745 C LYS A 47 4.748 9.520 19.638 1.00 48.51 C ATOM 746 O LYS A 47 5.323 9.581 18.566 1.00 48.51 O ATOM 747 CB LYS A 47 4.536 7.331 20.856 1.00 48.51 C ATOM 748 CG LYS A 47 5.409 6.298 21.588 1.00 48.51 C ATOM 749 CD LYS A 47 4.540 5.210 22.239 1.00 48.51 C ATOM 750 CE LYS A 47 3.707 4.493 21.174 1.00 48.51 C ATOM 751 NZ LYS A 47 3.325 3.139 21.672 1.00 48.51 N ATOM 0 H LYS A 47 4.319 9.044 22.664 1.00 48.51 H new ATOM 0 HA LYS A 47 6.337 8.474 20.673 1.00 48.51 H new ATOM 0 HB2 LYS A 47 3.583 7.448 21.372 1.00 48.51 H new ATOM 0 HB3 LYS A 47 4.312 6.984 19.847 1.00 48.51 H new ATOM 0 HG2 LYS A 47 6.105 5.841 20.885 1.00 48.51 H new ATOM 0 HG3 LYS A 47 6.007 6.796 22.351 1.00 48.51 H new ATOM 0 HD2 LYS A 47 5.173 4.492 22.760 1.00 48.51 H new ATOM 0 HD3 LYS A 47 3.883 5.657 22.985 1.00 48.51 H new ATOM 0 HE2 LYS A 47 2.814 5.073 20.944 1.00 48.51 H new ATOM 0 HE3 LYS A 47 4.277 4.405 20.249 1.00 48.51 H new ATOM 0 HZ1 LYS A 47 2.759 2.650 20.949 1.00 48.51 H new ATOM 0 HZ2 LYS A 47 4.184 2.587 21.871 1.00 48.51 H new ATOM 0 HZ3 LYS A 47 2.766 3.235 22.544 1.00 48.51 H new ATOM 765 N HIS A 48 3.682 10.232 19.876 1.00 65.66 N ATOM 766 CA HIS A 48 3.139 11.108 18.821 1.00 65.66 C ATOM 767 C HIS A 48 4.124 12.277 18.660 1.00 65.66 C ATOM 768 O HIS A 48 4.786 12.436 17.638 1.00 65.66 O ATOM 769 CB HIS A 48 1.753 11.579 19.270 1.00 65.66 C ATOM 770 CG HIS A 48 1.164 12.487 18.255 1.00 65.66 C ATOM 771 ND1 HIS A 48 0.402 12.032 17.170 1.00 65.66 N ATOM 772 CD2 HIS A 48 1.221 13.836 18.139 1.00 65.66 C ATOM 773 CE1 HIS A 48 0.043 13.119 16.454 1.00 65.66 C ATOM 774 NE2 HIS A 48 0.528 14.205 17.031 1.00 65.66 N ATOM 0 H HIS A 48 3.169 10.240 20.758 1.00 65.66 H new ATOM 0 HA HIS A 48 3.029 10.604 17.861 1.00 65.66 H new ATOM 0 HB2 HIS A 48 1.100 10.719 19.421 1.00 65.66 H new ATOM 0 HB3 HIS A 48 1.829 12.094 20.228 1.00 65.66 H new ATOM 0 HD1 HIS A 48 0.164 11.063 16.961 1.00 65.66 H new ATOM 0 HD2 HIS A 48 1.732 14.506 18.815 1.00 65.66 H new ATOM 0 HE1 HIS A 48 -0.548 13.104 15.550 1.00 65.66 H new ATOM 782 N THR A 49 4.273 13.086 19.679 1.00 47.02 N ATOM 783 CA THR A 49 5.241 14.201 19.620 1.00 47.02 C ATOM 784 C THR A 49 6.529 13.699 18.978 1.00 47.02 C ATOM 785 O THR A 49 7.203 14.415 18.265 1.00 47.02 O ATOM 786 CB THR A 49 5.562 14.635 21.053 1.00 47.02 C ATOM 787 OG1 THR A 49 5.826 13.480 21.830 1.00 47.02 O ATOM 788 CG2 THR A 49 4.384 15.401 21.671 1.00 47.02 C ATOM 0 H THR A 49 3.755 13.013 20.555 1.00 47.02 H new ATOM 0 HA THR A 49 4.827 15.030 19.046 1.00 47.02 H new ATOM 0 HB THR A 49 6.430 15.294 21.036 1.00 47.02 H new ATOM 0 HG1 THR A 49 6.668 13.599 22.317 1.00 47.02 H new ATOM 0 HG21 THR A 49 4.637 15.698 22.689 1.00 47.02 H new ATOM 0 HG22 THR A 49 4.175 16.289 21.075 1.00 47.02 H new ATOM 0 HG23 THR A 49 3.502 14.760 21.689 1.00 47.02 H new ATOM 796 N PHE A 50 6.872 12.458 19.205 1.00 54.63 N ATOM 797 CA PHE A 50 8.102 11.918 18.584 1.00 54.63 C ATOM 798 C PHE A 50 7.862 11.794 17.069 1.00 54.63 C ATOM 799 O PHE A 50 8.774 11.918 16.278 1.00 54.63 O ATOM 800 CB PHE A 50 8.450 10.565 19.230 1.00 54.63 C ATOM 801 CG PHE A 50 9.307 10.811 20.471 1.00 54.63 C ATOM 802 CD1 PHE A 50 9.045 11.909 21.313 1.00 54.63 C ATOM 803 CD2 PHE A 50 10.370 9.947 20.774 1.00 54.63 C ATOM 804 CE1 PHE A 50 9.843 12.135 22.447 1.00 54.63 C ATOM 805 CE2 PHE A 50 11.166 10.178 21.907 1.00 54.63 C ATOM 806 CZ PHE A 50 10.902 11.269 22.742 1.00 54.63 C ATOM 0 H PHE A 50 6.353 11.804 19.791 1.00 54.63 H new ATOM 0 HA PHE A 50 8.951 12.582 18.746 1.00 54.63 H new ATOM 0 HB2 PHE A 50 7.539 10.032 19.502 1.00 54.63 H new ATOM 0 HB3 PHE A 50 8.987 9.936 18.520 1.00 54.63 H new ATOM 0 HD1 PHE A 50 8.229 12.579 21.086 1.00 54.63 H new ATOM 0 HD2 PHE A 50 10.576 9.102 20.134 1.00 54.63 H new ATOM 0 HE1 PHE A 50 9.639 12.977 23.091 1.00 54.63 H new ATOM 0 HE2 PHE A 50 11.985 9.511 22.135 1.00 54.63 H new ATOM 0 HZ PHE A 50 11.515 11.443 23.614 1.00 54.63 H new ATOM 816 N ILE A 51 6.627 11.602 16.649 1.00 99.09 N ATOM 817 CA ILE A 51 6.360 11.545 15.173 1.00 99.09 C ATOM 818 C ILE A 51 6.466 12.965 14.580 1.00 99.09 C ATOM 819 O ILE A 51 6.672 13.124 13.393 1.00 99.09 O ATOM 820 CB ILE A 51 4.978 10.938 14.853 1.00 99.09 C ATOM 821 CG1 ILE A 51 3.843 11.946 15.138 1.00 99.09 C ATOM 822 CG2 ILE A 51 4.764 9.680 15.689 1.00 99.09 C ATOM 823 CD1 ILE A 51 2.508 11.337 14.706 1.00 99.09 C ATOM 0 H ILE A 51 5.811 11.485 17.250 1.00 99.09 H new ATOM 0 HA ILE A 51 7.108 10.893 14.722 1.00 99.09 H new ATOM 0 HB ILE A 51 4.955 10.688 13.792 1.00 99.09 H new ATOM 0 HG12 ILE A 51 3.817 12.192 16.200 1.00 99.09 H new ATOM 0 HG13 ILE A 51 4.023 12.876 14.599 1.00 99.09 H new ATOM 0 HG21 ILE A 51 3.787 9.253 15.461 1.00 99.09 H new ATOM 0 HG22 ILE A 51 5.541 8.952 15.456 1.00 99.09 H new ATOM 0 HG23 ILE A 51 4.811 9.935 16.748 1.00 99.09 H new ATOM 0 HD11 ILE A 51 1.704 12.045 14.905 1.00 99.09 H new ATOM 0 HD12 ILE A 51 2.538 11.113 13.640 1.00 99.09 H new ATOM 0 HD13 ILE A 51 2.329 10.418 15.265 1.00 99.09 H new ATOM 835 N HIS A 52 6.374 14.000 15.382 1.00 59.33 N ATOM 836 CA HIS A 52 6.534 15.390 14.799 1.00 59.33 C ATOM 837 C HIS A 52 8.005 15.776 14.851 1.00 59.33 C ATOM 838 O HIS A 52 8.510 16.525 14.036 1.00 59.33 O ATOM 839 CB HIS A 52 5.816 16.447 15.631 1.00 59.33 C ATOM 840 CG HIS A 52 4.343 16.446 15.385 1.00 59.33 C ATOM 841 ND1 HIS A 52 3.745 16.891 14.191 1.00 59.33 N ATOM 842 CD2 HIS A 52 3.326 16.131 16.219 1.00 59.33 C ATOM 843 CE1 HIS A 52 2.401 16.827 14.369 1.00 59.33 C ATOM 844 NE2 HIS A 52 2.135 16.377 15.586 1.00 59.33 N ATOM 0 H HIS A 52 6.201 13.957 16.386 1.00 59.33 H new ATOM 0 HA HIS A 52 6.125 15.359 13.789 1.00 59.33 H new ATOM 0 HB2 HIS A 52 6.007 16.267 16.689 1.00 59.33 H new ATOM 0 HB3 HIS A 52 6.222 17.431 15.396 1.00 59.33 H new ATOM 0 HD1 HIS A 52 4.231 17.203 13.350 1.00 59.33 H new ATOM 0 HD2 HIS A 52 3.435 15.747 17.223 1.00 59.33 H new ATOM 0 HE1 HIS A 52 1.662 17.101 13.631 1.00 59.33 H new ATOM 852 N THR A 53 8.676 15.277 15.845 1.00 97.33 N ATOM 853 CA THR A 53 10.110 15.589 16.042 1.00 97.33 C ATOM 854 C THR A 53 10.951 14.647 15.195 1.00 97.33 C ATOM 855 O THR A 53 12.108 14.891 14.923 1.00 97.33 O ATOM 856 CB THR A 53 10.461 15.325 17.506 1.00 97.33 C ATOM 857 OG1 THR A 53 10.080 13.998 17.823 1.00 97.33 O ATOM 858 CG2 THR A 53 9.717 16.288 18.429 1.00 97.33 C ATOM 0 H THR A 53 8.279 14.651 16.545 1.00 97.33 H new ATOM 0 HA THR A 53 10.302 16.626 15.765 1.00 97.33 H new ATOM 0 HB THR A 53 11.532 15.470 17.647 1.00 97.33 H new ATOM 0 HG1 THR A 53 10.495 13.732 18.670 1.00 97.33 H new ATOM 0 HG21 THR A 53 9.984 16.079 19.465 1.00 97.33 H new ATOM 0 HG22 THR A 53 9.992 17.314 18.183 1.00 97.33 H new ATOM 0 HG23 THR A 53 8.642 16.160 18.299 1.00 97.33 H new ATOM 866 N GLY A 54 10.383 13.541 14.818 1.00 23.68 N ATOM 867 CA GLY A 54 11.126 12.519 14.037 1.00 23.68 C ATOM 868 C GLY A 54 12.145 11.839 14.964 1.00 23.68 C ATOM 869 O GLY A 54 13.309 11.716 14.642 1.00 23.68 O ATOM 0 H GLY A 54 9.414 13.297 15.023 1.00 23.68 H new ATOM 0 HA2 GLY A 54 10.436 11.781 13.627 1.00 23.68 H new ATOM 0 HA3 GLY A 54 11.634 12.984 13.192 1.00 23.68 H new ATOM 873 N GLU A 55 11.711 11.416 16.108 1.00 47.26 N ATOM 874 CA GLU A 55 12.650 10.766 17.067 1.00 47.26 C ATOM 875 C GLU A 55 12.463 9.252 16.998 1.00 47.26 C ATOM 876 O GLU A 55 11.449 8.718 17.396 1.00 47.26 O ATOM 877 CB GLU A 55 12.374 11.291 18.471 1.00 47.26 C ATOM 878 CG GLU A 55 12.954 12.710 18.610 1.00 47.26 C ATOM 879 CD GLU A 55 12.545 13.310 19.959 1.00 47.26 C ATOM 880 OE1 GLU A 55 11.461 13.866 20.033 1.00 47.26 O ATOM 881 OE2 GLU A 55 13.324 13.209 20.892 1.00 47.26 O ATOM 0 H GLU A 55 10.745 11.489 16.428 1.00 47.26 H new ATOM 0 HA GLU A 55 13.683 11.000 16.809 1.00 47.26 H new ATOM 0 HB2 GLU A 55 11.301 11.305 18.661 1.00 47.26 H new ATOM 0 HB3 GLU A 55 12.821 10.629 19.213 1.00 47.26 H new ATOM 0 HG2 GLU A 55 14.041 12.678 18.531 1.00 47.26 H new ATOM 0 HG3 GLU A 55 12.594 13.341 17.797 1.00 47.26 H new ATOM 888 N LYS A 56 13.436 8.561 16.474 1.00 86.79 N ATOM 889 CA LYS A 56 13.313 7.078 16.347 1.00 86.79 C ATOM 890 C LYS A 56 14.399 6.374 17.174 1.00 86.79 C ATOM 891 O LYS A 56 15.319 5.791 16.640 1.00 86.79 O ATOM 892 CB LYS A 56 13.436 6.700 14.873 1.00 86.79 C ATOM 893 CG LYS A 56 12.170 7.165 14.143 1.00 86.79 C ATOM 894 CD LYS A 56 12.334 7.002 12.631 1.00 86.79 C ATOM 895 CE LYS A 56 10.990 7.271 11.946 1.00 86.79 C ATOM 896 NZ LYS A 56 10.296 8.403 12.627 1.00 86.79 N ATOM 0 H LYS A 56 14.311 8.956 16.128 1.00 86.79 H new ATOM 0 HA LYS A 56 12.343 6.758 16.728 1.00 86.79 H new ATOM 0 HB2 LYS A 56 14.318 7.166 14.435 1.00 86.79 H new ATOM 0 HB3 LYS A 56 13.560 5.622 14.768 1.00 86.79 H new ATOM 0 HG2 LYS A 56 11.312 6.587 14.486 1.00 86.79 H new ATOM 0 HG3 LYS A 56 11.967 8.209 14.382 1.00 86.79 H new ATOM 0 HD2 LYS A 56 13.090 7.693 12.259 1.00 86.79 H new ATOM 0 HD3 LYS A 56 12.680 5.995 12.397 1.00 86.79 H new ATOM 0 HE2 LYS A 56 11.148 7.509 10.894 1.00 86.79 H new ATOM 0 HE3 LYS A 56 10.368 6.377 11.981 1.00 86.79 H new ATOM 0 HZ1 LYS A 56 9.567 8.794 11.996 1.00 86.79 H new ATOM 0 HZ2 LYS A 56 9.849 8.061 13.502 1.00 86.79 H new ATOM 0 HZ3 LYS A 56 10.987 9.145 12.859 1.00 86.79 H new ATOM 910 N PRO A 57 14.272 6.430 18.477 1.00151.44 N ATOM 911 CA PRO A 57 15.234 5.790 19.441 1.00151.44 C ATOM 912 C PRO A 57 15.345 4.263 19.296 1.00151.44 C ATOM 913 O PRO A 57 16.206 3.652 19.900 1.00151.44 O ATOM 914 CB PRO A 57 14.672 6.146 20.822 1.00151.44 C ATOM 915 CG PRO A 57 13.242 6.518 20.581 1.00151.44 C ATOM 916 CD PRO A 57 13.191 7.129 19.189 1.00151.44 C ATOM 0 HA PRO A 57 16.246 6.153 19.261 1.00151.44 H new ATOM 0 HB2 PRO A 57 14.749 5.302 21.508 1.00151.44 H new ATOM 0 HB3 PRO A 57 15.224 6.972 21.270 1.00151.44 H new ATOM 0 HG2 PRO A 57 12.596 5.643 20.646 1.00151.44 H new ATOM 0 HG3 PRO A 57 12.893 7.228 21.331 1.00151.44 H new ATOM 0 HD2 PRO A 57 12.224 6.967 18.713 1.00151.44 H new ATOM 0 HD3 PRO A 57 13.356 8.206 19.215 1.00151.44 H new ATOM 924 N HIS A 58 14.518 3.636 18.505 1.00 42.67 N ATOM 925 CA HIS A 58 14.655 2.152 18.356 1.00 42.67 C ATOM 926 C HIS A 58 15.360 1.867 17.039 1.00 42.67 C ATOM 927 O HIS A 58 14.742 1.789 15.998 1.00 42.67 O ATOM 928 CB HIS A 58 13.280 1.490 18.392 1.00 42.67 C ATOM 929 CG HIS A 58 12.621 1.846 19.696 1.00 42.67 C ATOM 930 ND1 HIS A 58 13.057 1.329 20.906 1.00 42.67 N ATOM 931 CD2 HIS A 58 11.585 2.693 20.004 1.00 42.67 C ATOM 932 CE1 HIS A 58 12.297 1.868 21.877 1.00 42.67 C ATOM 933 NE2 HIS A 58 11.383 2.706 21.382 1.00 42.67 N ATOM 0 H HIS A 58 13.769 4.070 17.966 1.00 42.67 H new ATOM 0 HA HIS A 58 15.241 1.742 19.179 1.00 42.67 H new ATOM 0 HB2 HIS A 58 12.672 1.830 17.554 1.00 42.67 H new ATOM 0 HB3 HIS A 58 13.376 0.408 18.298 1.00 42.67 H new ATOM 0 HD2 HIS A 58 11.013 3.263 19.286 1.00 42.67 H new ATOM 0 HE1 HIS A 58 12.412 1.649 22.928 1.00 42.67 H new ATOM 0 HE2 HIS A 58 10.687 3.241 21.901 1.00 42.67 H new ATOM 941 N LYS A 59 16.660 1.735 17.068 1.00 72.96 N ATOM 942 CA LYS A 59 17.399 1.486 15.810 1.00 72.96 C ATOM 943 C LYS A 59 17.617 -0.012 15.616 1.00 72.96 C ATOM 944 O LYS A 59 18.104 -0.703 16.488 1.00 72.96 O ATOM 945 CB LYS A 59 18.737 2.217 15.861 1.00 72.96 C ATOM 946 CG LYS A 59 18.474 3.718 16.026 1.00 72.96 C ATOM 947 CD LYS A 59 19.788 4.448 16.298 1.00 72.96 C ATOM 948 CE LYS A 59 20.760 4.194 15.146 1.00 72.96 C ATOM 949 NZ LYS A 59 21.394 2.856 15.317 1.00 72.96 N ATOM 0 H LYS A 59 17.235 1.790 17.909 1.00 72.96 H new ATOM 0 HA LYS A 59 16.818 1.859 14.966 1.00 72.96 H new ATOM 0 HB2 LYS A 59 19.338 1.846 16.691 1.00 72.96 H new ATOM 0 HB3 LYS A 59 19.304 2.031 14.949 1.00 72.96 H new ATOM 0 HG2 LYS A 59 18.007 4.116 15.125 1.00 72.96 H new ATOM 0 HG3 LYS A 59 17.777 3.886 16.847 1.00 72.96 H new ATOM 0 HD2 LYS A 59 19.607 5.517 16.406 1.00 72.96 H new ATOM 0 HD3 LYS A 59 20.221 4.102 17.236 1.00 72.96 H new ATOM 0 HE2 LYS A 59 20.232 4.239 14.194 1.00 72.96 H new ATOM 0 HE3 LYS A 59 21.525 4.970 15.123 1.00 72.96 H new ATOM 0 HZ1 LYS A 59 22.427 2.949 15.243 1.00 72.96 H new ATOM 0 HZ2 LYS A 59 21.147 2.472 16.251 1.00 72.96 H new ATOM 0 HZ3 LYS A 59 21.051 2.212 14.576 1.00 72.96 H new ATOM 963 N CYS A 60 17.252 -0.506 14.473 1.00 38.91 N ATOM 964 CA CYS A 60 17.419 -1.958 14.176 1.00 38.91 C ATOM 965 C CYS A 60 18.884 -2.241 13.788 1.00 38.91 C ATOM 966 O CYS A 60 19.433 -1.639 12.890 1.00 38.91 O ATOM 967 CB CYS A 60 16.476 -2.341 13.024 1.00 38.91 C ATOM 968 SG CYS A 60 17.170 -3.730 12.105 1.00 38.91 S ATOM 0 H CYS A 60 16.838 0.039 13.717 1.00 38.91 H new ATOM 0 HA CYS A 60 17.172 -2.552 15.056 1.00 38.91 H new ATOM 0 HB2 CYS A 60 15.495 -2.607 13.418 1.00 38.91 H new ATOM 0 HB3 CYS A 60 16.333 -1.489 12.360 1.00 38.91 H new ATOM 0 HG CYS A 60 16.251 -4.253 11.349 1.00 38.91 H new ATOM 973 N GLN A 61 19.516 -3.155 14.478 1.00124.00 N ATOM 974 CA GLN A 61 20.951 -3.501 14.183 1.00124.00 C ATOM 975 C GLN A 61 21.020 -4.553 13.066 1.00124.00 C ATOM 976 O GLN A 61 22.052 -5.147 12.822 1.00124.00 O ATOM 977 CB GLN A 61 21.600 -4.094 15.443 1.00124.00 C ATOM 978 CG GLN A 61 21.064 -3.386 16.688 1.00124.00 C ATOM 979 CD GLN A 61 21.446 -1.905 16.646 1.00124.00 C ATOM 980 OE1 GLN A 61 22.530 -1.558 16.220 1.00124.00 O ATOM 981 NE2 GLN A 61 20.596 -1.011 17.072 1.00124.00 N ATOM 0 H GLN A 61 19.099 -3.686 15.243 1.00124.00 H new ATOM 0 HA GLN A 61 21.474 -2.596 13.872 1.00124.00 H new ATOM 0 HB2 GLN A 61 21.390 -5.162 15.503 1.00124.00 H new ATOM 0 HB3 GLN A 61 22.683 -3.985 15.390 1.00124.00 H new ATOM 0 HG2 GLN A 61 19.980 -3.490 16.739 1.00124.00 H new ATOM 0 HG3 GLN A 61 21.471 -3.851 17.586 1.00124.00 H new ATOM 0 HE21 GLN A 61 19.686 -1.302 17.430 1.00124.00 H new ATOM 0 HE22 GLN A 61 20.842 -0.021 17.047 1.00124.00 H new ATOM 990 N VAL A 62 19.932 -4.811 12.408 1.00 56.07 N ATOM 991 CA VAL A 62 19.943 -5.851 11.337 1.00 56.07 C ATOM 992 C VAL A 62 20.077 -5.214 9.955 1.00 56.07 C ATOM 993 O VAL A 62 20.989 -5.509 9.208 1.00 56.07 O ATOM 994 CB VAL A 62 18.637 -6.631 11.413 1.00 56.07 C ATOM 995 CG1 VAL A 62 18.684 -7.826 10.454 1.00 56.07 C ATOM 996 CG2 VAL A 62 18.434 -7.123 12.851 1.00 56.07 C ATOM 0 H VAL A 62 19.034 -4.351 12.560 1.00 56.07 H new ATOM 0 HA VAL A 62 20.797 -6.512 11.488 1.00 56.07 H new ATOM 0 HB VAL A 62 17.807 -5.985 11.125 1.00 56.07 H new ATOM 0 HG11 VAL A 62 17.746 -8.378 10.515 1.00 56.07 H new ATOM 0 HG12 VAL A 62 18.829 -7.469 9.434 1.00 56.07 H new ATOM 0 HG13 VAL A 62 19.510 -8.482 10.730 1.00 56.07 H new ATOM 0 HG21 VAL A 62 17.501 -7.683 12.916 1.00 56.07 H new ATOM 0 HG22 VAL A 62 19.265 -7.768 13.135 1.00 56.07 H new ATOM 0 HG23 VAL A 62 18.391 -6.268 13.526 1.00 56.07 H new ATOM 1006 N CYS A 63 19.171 -4.353 9.602 1.00 63.83 N ATOM 1007 CA CYS A 63 19.244 -3.702 8.265 1.00 63.83 C ATOM 1008 C CYS A 63 19.674 -2.236 8.424 1.00 63.83 C ATOM 1009 O CYS A 63 20.275 -1.666 7.534 1.00 63.83 O ATOM 1010 CB CYS A 63 17.886 -3.813 7.560 1.00 63.83 C ATOM 1011 SG CYS A 63 16.615 -2.901 8.457 1.00 63.83 S ATOM 0 H CYS A 63 18.380 -4.069 10.181 1.00 63.83 H new ATOM 0 HA CYS A 63 19.988 -4.208 7.649 1.00 63.83 H new ATOM 0 HB2 CYS A 63 17.967 -3.427 6.544 1.00 63.83 H new ATOM 0 HB3 CYS A 63 17.598 -4.861 7.480 1.00 63.83 H new ATOM 0 HG CYS A 63 16.733 -3.132 9.731 1.00 63.83 H new ATOM 1016 N GLY A 64 19.423 -1.633 9.560 1.00 23.81 N ATOM 1017 CA GLY A 64 19.874 -0.219 9.778 1.00 23.81 C ATOM 1018 C GLY A 64 18.690 0.757 9.799 1.00 23.81 C ATOM 1019 O GLY A 64 18.879 1.958 9.758 1.00 23.81 O ATOM 0 H GLY A 64 18.927 -2.055 10.345 1.00 23.81 H new ATOM 0 HA2 GLY A 64 20.418 -0.152 10.720 1.00 23.81 H new ATOM 0 HA3 GLY A 64 20.568 0.068 8.988 1.00 23.81 H new ATOM 1023 N LYS A 65 17.474 0.279 9.851 1.00120.74 N ATOM 1024 CA LYS A 65 16.318 1.221 9.875 1.00120.74 C ATOM 1025 C LYS A 65 16.004 1.585 11.343 1.00120.74 C ATOM 1026 O LYS A 65 16.626 1.073 12.253 1.00120.74 O ATOM 1027 CB LYS A 65 15.117 0.551 9.187 1.00120.74 C ATOM 1028 CG LYS A 65 14.389 1.580 8.314 1.00120.74 C ATOM 1029 CD LYS A 65 13.278 0.878 7.530 1.00120.74 C ATOM 1030 CE LYS A 65 12.724 1.806 6.448 1.00120.74 C ATOM 1031 NZ LYS A 65 11.853 2.825 7.092 1.00120.74 N ATOM 0 H LYS A 65 17.234 -0.712 9.878 1.00120.74 H new ATOM 0 HA LYS A 65 16.549 2.140 9.337 1.00120.74 H new ATOM 0 HB2 LYS A 65 15.455 -0.286 8.576 1.00120.74 H new ATOM 0 HB3 LYS A 65 14.436 0.145 9.935 1.00120.74 H new ATOM 0 HG2 LYS A 65 13.968 2.370 8.936 1.00120.74 H new ATOM 0 HG3 LYS A 65 15.091 2.054 7.628 1.00120.74 H new ATOM 0 HD2 LYS A 65 13.665 -0.033 7.074 1.00120.74 H new ATOM 0 HD3 LYS A 65 12.478 0.580 8.208 1.00120.74 H new ATOM 0 HE2 LYS A 65 13.540 2.291 5.912 1.00120.74 H new ATOM 0 HE3 LYS A 65 12.157 1.234 5.714 1.00120.74 H new ATOM 0 HZ1 LYS A 65 11.470 3.463 6.366 1.00120.74 H new ATOM 0 HZ2 LYS A 65 11.069 2.351 7.585 1.00120.74 H new ATOM 0 HZ3 LYS A 65 12.410 3.375 7.777 1.00120.74 H new ATOM 1045 N ALA A 66 15.082 2.495 11.585 1.00 39.51 N ATOM 1046 CA ALA A 66 14.776 2.921 12.998 1.00 39.51 C ATOM 1047 C ALA A 66 13.266 3.058 13.227 1.00 39.51 C ATOM 1048 O ALA A 66 12.507 3.337 12.320 1.00 39.51 O ATOM 1049 CB ALA A 66 15.428 4.287 13.245 1.00 39.51 C ATOM 0 H ALA A 66 14.528 2.961 10.866 1.00 39.51 H new ATOM 0 HA ALA A 66 15.163 2.163 13.679 1.00 39.51 H new ATOM 0 HB1 ALA A 66 15.217 4.612 14.264 1.00 39.51 H new ATOM 0 HB2 ALA A 66 16.506 4.206 13.106 1.00 39.51 H new ATOM 0 HB3 ALA A 66 15.025 5.015 12.541 1.00 39.51 H new ATOM 1055 N PHE A 67 12.833 2.827 14.450 1.00 62.57 N ATOM 1056 CA PHE A 67 11.376 2.900 14.778 1.00 62.57 C ATOM 1057 C PHE A 67 11.125 3.730 16.039 1.00 62.57 C ATOM 1058 O PHE A 67 11.920 3.762 16.965 1.00 62.57 O ATOM 1059 CB PHE A 67 10.867 1.479 14.994 1.00 62.57 C ATOM 1060 CG PHE A 67 11.238 0.719 13.761 1.00 62.57 C ATOM 1061 CD1 PHE A 67 10.368 0.707 12.670 1.00 62.57 C ATOM 1062 CD2 PHE A 67 12.481 0.093 13.681 1.00 62.57 C ATOM 1063 CE1 PHE A 67 10.746 0.070 11.489 1.00 62.57 C ATOM 1064 CE2 PHE A 67 12.856 -0.559 12.506 1.00 62.57 C ATOM 1065 CZ PHE A 67 11.989 -0.565 11.408 1.00 62.57 C ATOM 0 H PHE A 67 13.436 2.589 15.238 1.00 62.57 H new ATOM 0 HA PHE A 67 10.850 3.384 13.955 1.00 62.57 H new ATOM 0 HB2 PHE A 67 11.320 1.032 15.879 1.00 62.57 H new ATOM 0 HB3 PHE A 67 9.788 1.470 15.149 1.00 62.57 H new ATOM 0 HD1 PHE A 67 9.405 1.190 12.740 1.00 62.57 H new ATOM 0 HD2 PHE A 67 13.152 0.113 14.527 1.00 62.57 H new ATOM 0 HE1 PHE A 67 10.080 0.067 10.639 1.00 62.57 H new ATOM 0 HE2 PHE A 67 13.812 -1.057 12.444 1.00 62.57 H new ATOM 0 HZ PHE A 67 12.281 -1.062 10.495 1.00 62.57 H new ATOM 1075 N SER A 68 10.010 4.390 16.064 1.00 84.84 N ATOM 1076 CA SER A 68 9.628 5.218 17.233 1.00 84.84 C ATOM 1077 C SER A 68 8.982 4.322 18.284 1.00 84.84 C ATOM 1078 O SER A 68 8.866 4.688 19.437 1.00 84.84 O ATOM 1079 CB SER A 68 8.590 6.244 16.782 1.00 84.84 C ATOM 1080 OG SER A 68 9.226 7.256 16.013 1.00 84.84 O ATOM 0 H SER A 68 9.329 4.391 15.304 1.00 84.84 H new ATOM 0 HA SER A 68 10.508 5.712 17.644 1.00 84.84 H new ATOM 0 HB2 SER A 68 7.815 5.757 16.191 1.00 84.84 H new ATOM 0 HB3 SER A 68 8.099 6.686 17.649 1.00 84.84 H new ATOM 0 HG SER A 68 9.933 7.676 16.546 1.00 84.84 H new ATOM 1086 N GLN A 69 8.512 3.158 17.889 1.00 93.39 N ATOM 1087 CA GLN A 69 7.824 2.281 18.877 1.00 93.39 C ATOM 1088 C GLN A 69 8.494 0.910 18.979 1.00 93.39 C ATOM 1089 O GLN A 69 8.969 0.357 18.003 1.00 93.39 O ATOM 1090 CB GLN A 69 6.370 2.091 18.429 1.00 93.39 C ATOM 1091 CG GLN A 69 5.792 3.447 18.022 1.00 93.39 C ATOM 1092 CD GLN A 69 4.273 3.344 17.881 1.00 93.39 C ATOM 1093 OE1 GLN A 69 3.680 2.358 18.271 1.00 93.39 O ATOM 1094 NE2 GLN A 69 3.615 4.332 17.335 1.00 93.39 N ATOM 0 H GLN A 69 8.576 2.788 16.941 1.00 93.39 H new ATOM 0 HA GLN A 69 7.877 2.757 19.856 1.00 93.39 H new ATOM 0 HB2 GLN A 69 6.322 1.395 17.592 1.00 93.39 H new ATOM 0 HB3 GLN A 69 5.781 1.658 19.237 1.00 93.39 H new ATOM 0 HG2 GLN A 69 6.046 4.199 18.768 1.00 93.39 H new ATOM 0 HG3 GLN A 69 6.232 3.772 17.079 1.00 93.39 H new ATOM 0 HE21 GLN A 69 4.115 5.159 17.008 1.00 93.39 H new ATOM 0 HE22 GLN A 69 2.601 4.276 17.236 1.00 93.39 H new ATOM 1103 N SER A 70 8.495 0.334 20.147 1.00 67.34 N ATOM 1104 CA SER A 70 9.083 -1.017 20.275 1.00 67.34 C ATOM 1105 C SER A 70 8.207 -1.958 19.456 1.00 67.34 C ATOM 1106 O SER A 70 8.687 -2.829 18.786 1.00 67.34 O ATOM 1107 CB SER A 70 9.101 -1.470 21.733 1.00 67.34 C ATOM 1108 OG SER A 70 9.648 -0.433 22.529 1.00 67.34 O ATOM 0 H SER A 70 8.119 0.737 21.005 1.00 67.34 H new ATOM 0 HA SER A 70 10.113 -1.016 19.920 1.00 67.34 H new ATOM 0 HB2 SER A 70 8.091 -1.708 22.066 1.00 67.34 H new ATOM 0 HB3 SER A 70 9.694 -2.379 21.838 1.00 67.34 H new ATOM 0 HG SER A 70 9.662 -0.714 23.468 1.00 67.34 H new ATOM 1114 N SER A 71 6.915 -1.783 19.523 1.00 68.68 N ATOM 1115 CA SER A 71 5.993 -2.664 18.759 1.00 68.68 C ATOM 1116 C SER A 71 6.447 -2.734 17.314 1.00 68.68 C ATOM 1117 O SER A 71 6.501 -3.794 16.722 1.00 68.68 O ATOM 1118 CB SER A 71 4.573 -2.088 18.812 1.00 68.68 C ATOM 1119 OG SER A 71 3.726 -2.833 17.943 1.00 68.68 O ATOM 0 H SER A 71 6.457 -1.061 20.079 1.00 68.68 H new ATOM 0 HA SER A 71 6.000 -3.662 19.197 1.00 68.68 H new ATOM 0 HB2 SER A 71 4.191 -2.128 19.832 1.00 68.68 H new ATOM 0 HB3 SER A 71 4.583 -1.039 18.516 1.00 68.68 H new ATOM 0 HG SER A 71 2.818 -2.466 17.978 1.00 68.68 H new ATOM 1125 N ASN A 72 6.770 -1.622 16.722 1.00 33.83 N ATOM 1126 CA ASN A 72 7.203 -1.669 15.298 1.00 33.83 C ATOM 1127 C ASN A 72 8.619 -2.267 15.212 1.00 33.83 C ATOM 1128 O ASN A 72 8.945 -2.953 14.260 1.00 33.83 O ATOM 1129 CB ASN A 72 7.106 -0.263 14.669 1.00 33.83 C ATOM 1130 CG ASN A 72 5.628 0.168 14.664 1.00 33.83 C ATOM 1131 OD1 ASN A 72 4.807 -0.449 15.315 1.00 33.83 O ATOM 1132 ND2 ASN A 72 5.246 1.200 13.954 1.00 33.83 N ATOM 0 H ASN A 72 6.755 -0.697 17.151 1.00 33.83 H new ATOM 0 HA ASN A 72 6.542 -2.316 14.722 1.00 33.83 H new ATOM 0 HB2 ASN A 72 7.706 0.448 15.236 1.00 33.83 H new ATOM 0 HB3 ASN A 72 7.501 -0.274 13.653 1.00 33.83 H new ATOM 0 HD21 ASN A 72 4.266 1.481 13.950 1.00 33.83 H new ATOM 0 HD22 ASN A 72 5.929 1.723 13.405 1.00 33.83 H new ATOM 1139 N LEU A 73 9.448 -2.068 16.218 1.00 75.65 N ATOM 1140 CA LEU A 73 10.814 -2.688 16.193 1.00 75.65 C ATOM 1141 C LEU A 73 10.685 -4.198 16.479 1.00 75.65 C ATOM 1142 O LEU A 73 11.344 -5.004 15.852 1.00 75.65 O ATOM 1143 CB LEU A 73 11.722 -2.013 17.228 1.00 75.65 C ATOM 1144 CG LEU A 73 13.113 -2.676 17.232 1.00 75.65 C ATOM 1145 CD1 LEU A 73 13.932 -2.199 16.028 1.00 75.65 C ATOM 1146 CD2 LEU A 73 13.870 -2.312 18.519 1.00 75.65 C ATOM 0 H LEU A 73 9.238 -1.509 17.045 1.00 75.65 H new ATOM 0 HA LEU A 73 11.264 -2.547 15.210 1.00 75.65 H new ATOM 0 HB2 LEU A 73 11.818 -0.951 17.000 1.00 75.65 H new ATOM 0 HB3 LEU A 73 11.273 -2.087 18.219 1.00 75.65 H new ATOM 0 HG LEU A 73 12.976 -3.756 17.178 1.00 75.65 H new ATOM 0 HD11 LEU A 73 14.912 -2.675 16.043 1.00 75.65 H new ATOM 0 HD12 LEU A 73 13.414 -2.465 15.107 1.00 75.65 H new ATOM 0 HD13 LEU A 73 14.053 -1.117 16.076 1.00 75.65 H new ATOM 0 HD21 LEU A 73 14.851 -2.786 18.510 1.00 75.65 H new ATOM 0 HD22 LEU A 73 13.990 -1.230 18.577 1.00 75.65 H new ATOM 0 HD23 LEU A 73 13.306 -2.661 19.384 1.00 75.65 H new ATOM 1158 N ILE A 74 9.833 -4.605 17.384 1.00 27.72 N ATOM 1159 CA ILE A 74 9.652 -6.060 17.644 1.00 27.72 C ATOM 1160 C ILE A 74 9.099 -6.694 16.368 1.00 27.72 C ATOM 1161 O ILE A 74 9.625 -7.664 15.869 1.00 27.72 O ATOM 1162 CB ILE A 74 8.653 -6.232 18.803 1.00 27.72 C ATOM 1163 CG1 ILE A 74 9.257 -5.614 20.069 1.00 27.72 C ATOM 1164 CG2 ILE A 74 8.355 -7.719 19.058 1.00 27.72 C ATOM 1165 CD1 ILE A 74 8.201 -5.558 21.174 1.00 27.72 C ATOM 0 H ILE A 74 9.254 -3.989 17.955 1.00 27.72 H new ATOM 0 HA ILE A 74 10.594 -6.537 17.916 1.00 27.72 H new ATOM 0 HB ILE A 74 7.719 -5.735 18.540 1.00 27.72 H new ATOM 0 HG12 ILE A 74 10.112 -6.204 20.400 1.00 27.72 H new ATOM 0 HG13 ILE A 74 9.626 -4.611 19.855 1.00 27.72 H new ATOM 0 HG21 ILE A 74 7.647 -7.812 19.881 1.00 27.72 H new ATOM 0 HG22 ILE A 74 7.927 -8.164 18.159 1.00 27.72 H new ATOM 0 HG23 ILE A 74 9.279 -8.237 19.314 1.00 27.72 H new ATOM 0 HD11 ILE A 74 8.636 -5.118 22.071 1.00 27.72 H new ATOM 0 HD12 ILE A 74 7.360 -4.949 20.843 1.00 27.72 H new ATOM 0 HD13 ILE A 74 7.854 -6.567 21.397 1.00 27.72 H new ATOM 1177 N THR A 75 8.058 -6.131 15.816 1.00 95.20 N ATOM 1178 CA THR A 75 7.495 -6.684 14.549 1.00 95.20 C ATOM 1179 C THR A 75 8.595 -6.678 13.480 1.00 95.20 C ATOM 1180 O THR A 75 8.837 -7.654 12.788 1.00 95.20 O ATOM 1181 CB THR A 75 6.338 -5.784 14.083 1.00 95.20 C ATOM 1182 OG1 THR A 75 5.191 -6.043 14.880 1.00 95.20 O ATOM 1183 CG2 THR A 75 6.009 -6.062 12.611 1.00 95.20 C ATOM 0 H THR A 75 7.573 -5.313 16.186 1.00 95.20 H new ATOM 0 HA THR A 75 7.133 -7.700 14.709 1.00 95.20 H new ATOM 0 HB THR A 75 6.635 -4.740 14.188 1.00 95.20 H new ATOM 0 HG1 THR A 75 5.216 -5.481 15.682 1.00 95.20 H new ATOM 0 HG21 THR A 75 5.188 -5.418 12.294 1.00 95.20 H new ATOM 0 HG22 THR A 75 6.887 -5.860 11.997 1.00 95.20 H new ATOM 0 HG23 THR A 75 5.717 -7.106 12.494 1.00 95.20 H new ATOM 1191 N HIS A 76 9.238 -5.555 13.336 1.00 66.30 N ATOM 1192 CA HIS A 76 10.307 -5.395 12.317 1.00 66.30 C ATOM 1193 C HIS A 76 11.440 -6.426 12.545 1.00 66.30 C ATOM 1194 O HIS A 76 11.870 -7.131 11.630 1.00 66.30 O ATOM 1195 CB HIS A 76 10.820 -3.946 12.437 1.00 66.30 C ATOM 1196 CG HIS A 76 11.999 -3.745 11.559 1.00 66.30 C ATOM 1197 ND1 HIS A 76 11.908 -3.127 10.307 1.00 66.30 N ATOM 1198 CD2 HIS A 76 13.297 -4.127 11.704 1.00 66.30 C ATOM 1199 CE1 HIS A 76 13.135 -3.172 9.753 1.00 66.30 C ATOM 1200 NE2 HIS A 76 13.979 -3.763 10.579 1.00 66.30 N ATOM 0 H HIS A 76 9.062 -4.721 13.897 1.00 66.30 H new ATOM 0 HA HIS A 76 9.927 -5.579 11.312 1.00 66.30 H new ATOM 0 HB2 HIS A 76 10.029 -3.249 12.161 1.00 66.30 H new ATOM 0 HB3 HIS A 76 11.087 -3.732 13.472 1.00 66.30 H new ATOM 0 HD1 HIS A 76 11.070 -2.719 9.892 1.00 66.30 H new ATOM 0 HD2 HIS A 76 13.716 -4.632 12.562 1.00 66.30 H new ATOM 0 HE1 HIS A 76 13.390 -2.783 8.779 1.00 66.30 H new ATOM 1208 N SER A 77 11.924 -6.552 13.755 1.00 87.23 N ATOM 1209 CA SER A 77 12.998 -7.548 13.997 1.00 87.23 C ATOM 1210 C SER A 77 12.401 -8.949 13.878 1.00 87.23 C ATOM 1211 O SER A 77 13.028 -9.875 13.406 1.00 87.23 O ATOM 1212 CB SER A 77 13.587 -7.365 15.390 1.00 87.23 C ATOM 1213 OG SER A 77 14.409 -8.486 15.671 1.00 87.23 O ATOM 0 H SER A 77 11.625 -6.016 14.570 1.00 87.23 H new ATOM 0 HA SER A 77 13.792 -7.410 13.263 1.00 87.23 H new ATOM 0 HB2 SER A 77 14.169 -6.444 15.439 1.00 87.23 H new ATOM 0 HB3 SER A 77 12.792 -7.280 16.131 1.00 87.23 H new ATOM 0 HG SER A 77 14.801 -8.389 16.564 1.00 87.23 H new ATOM 1219 N ARG A 78 11.164 -9.098 14.285 1.00 73.27 N ATOM 1220 CA ARG A 78 10.508 -10.424 14.170 1.00 73.27 C ATOM 1221 C ARG A 78 10.594 -10.840 12.709 1.00 73.27 C ATOM 1222 O ARG A 78 10.734 -12.006 12.391 1.00 73.27 O ATOM 1223 CB ARG A 78 9.052 -10.335 14.630 1.00 73.27 C ATOM 1224 CG ARG A 78 9.011 -10.262 16.169 1.00 73.27 C ATOM 1225 CD ARG A 78 8.844 -11.665 16.774 1.00 73.27 C ATOM 1226 NE ARG A 78 8.729 -11.551 18.263 1.00 73.27 N ATOM 1227 CZ ARG A 78 8.865 -12.612 19.018 1.00 73.27 C ATOM 1228 NH1 ARG A 78 9.098 -13.773 18.475 1.00 73.27 N ATOM 1229 NH2 ARG A 78 8.769 -12.513 20.319 1.00 73.27 N ATOM 0 H ARG A 78 10.588 -8.359 14.689 1.00 73.27 H new ATOM 0 HA ARG A 78 11.001 -11.162 14.803 1.00 73.27 H new ATOM 0 HB2 ARG A 78 8.575 -9.455 14.199 1.00 73.27 H new ATOM 0 HB3 ARG A 78 8.494 -11.203 14.280 1.00 73.27 H new ATOM 0 HG2 ARG A 78 9.929 -9.807 16.541 1.00 73.27 H new ATOM 0 HG3 ARG A 78 8.187 -9.623 16.486 1.00 73.27 H new ATOM 0 HD2 ARG A 78 7.956 -12.147 16.365 1.00 73.27 H new ATOM 0 HD3 ARG A 78 9.696 -12.291 16.510 1.00 73.27 H new ATOM 0 HE ARG A 78 8.544 -10.644 18.690 1.00 73.27 H new ATOM 0 HH11 ARG A 78 9.175 -13.856 17.461 1.00 73.27 H new ATOM 0 HH12 ARG A 78 9.204 -14.599 19.064 1.00 73.27 H new ATOM 0 HH21 ARG A 78 8.587 -11.606 20.749 1.00 73.27 H new ATOM 0 HH22 ARG A 78 8.876 -13.343 20.903 1.00 73.27 H new ATOM 1243 N LYS A 79 10.559 -9.889 11.813 1.00 80.85 N ATOM 1244 CA LYS A 79 10.700 -10.241 10.376 1.00 80.85 C ATOM 1245 C LYS A 79 12.132 -10.706 10.145 1.00 80.85 C ATOM 1246 O LYS A 79 12.362 -11.741 9.548 1.00 80.85 O ATOM 1247 CB LYS A 79 10.390 -9.032 9.486 1.00 80.85 C ATOM 1248 CG LYS A 79 8.996 -9.212 8.877 1.00 80.85 C ATOM 1249 CD LYS A 79 8.536 -7.906 8.234 1.00 80.85 C ATOM 1250 CE LYS A 79 9.554 -7.469 7.186 1.00 80.85 C ATOM 1251 NZ LYS A 79 10.633 -6.694 7.854 1.00 80.85 N ATOM 0 H LYS A 79 10.440 -8.896 12.014 1.00 80.85 H new ATOM 0 HA LYS A 79 9.995 -11.031 10.119 1.00 80.85 H new ATOM 0 HB2 LYS A 79 10.431 -8.113 10.070 1.00 80.85 H new ATOM 0 HB3 LYS A 79 11.137 -8.942 8.698 1.00 80.85 H new ATOM 0 HG2 LYS A 79 9.015 -10.007 8.132 1.00 80.85 H new ATOM 0 HG3 LYS A 79 8.289 -9.516 9.649 1.00 80.85 H new ATOM 0 HD2 LYS A 79 7.558 -8.040 7.772 1.00 80.85 H new ATOM 0 HD3 LYS A 79 8.426 -7.133 8.994 1.00 80.85 H new ATOM 0 HE2 LYS A 79 9.973 -8.340 6.682 1.00 80.85 H new ATOM 0 HE3 LYS A 79 9.070 -6.860 6.422 1.00 80.85 H new ATOM 0 HZ1 LYS A 79 10.798 -5.809 7.334 1.00 80.85 H new ATOM 0 HZ2 LYS A 79 10.349 -6.474 8.830 1.00 80.85 H new ATOM 0 HZ3 LYS A 79 11.508 -7.256 7.866 1.00 80.85 H new ATOM 1265 N HIS A 80 13.115 -9.981 10.621 1.00 46.01 N ATOM 1266 CA HIS A 80 14.503 -10.485 10.395 1.00 46.01 C ATOM 1267 C HIS A 80 14.595 -11.886 10.988 1.00 46.01 C ATOM 1268 O HIS A 80 14.911 -12.841 10.306 1.00 46.01 O ATOM 1269 CB HIS A 80 15.561 -9.616 11.075 1.00 46.01 C ATOM 1270 CG HIS A 80 15.666 -8.274 10.413 1.00 46.01 C ATOM 1271 ND1 HIS A 80 15.787 -8.093 9.024 1.00 46.01 N ATOM 1272 CD2 HIS A 80 15.684 -7.027 10.953 1.00 46.01 C ATOM 1273 CE1 HIS A 80 15.868 -6.759 8.797 1.00 46.01 C ATOM 1274 NE2 HIS A 80 15.822 -6.105 9.943 1.00 46.01 N ATOM 0 H HIS A 80 13.026 -9.103 11.133 1.00 46.01 H new ATOM 0 HA HIS A 80 14.695 -10.470 9.322 1.00 46.01 H new ATOM 0 HB2 HIS A 80 15.308 -9.487 12.127 1.00 46.01 H new ATOM 0 HB3 HIS A 80 16.527 -10.119 11.039 1.00 46.01 H new ATOM 0 HD1 HIS A 80 15.810 -8.829 8.318 1.00 46.01 H new ATOM 0 HD2 HIS A 80 15.603 -6.798 12.005 1.00 46.01 H new ATOM 0 HE1 HIS A 80 15.957 -6.300 7.824 1.00 46.01 H new ATOM 1282 N THR A 81 14.323 -12.025 12.264 1.00 89.50 N ATOM 1283 CA THR A 81 14.407 -13.372 12.885 1.00 89.50 C ATOM 1284 C THR A 81 13.633 -14.353 12.000 1.00 89.50 C ATOM 1285 O THR A 81 14.135 -15.387 11.599 1.00 89.50 O ATOM 1286 CB THR A 81 13.776 -13.337 14.281 1.00 89.50 C ATOM 1287 OG1 THR A 81 14.394 -12.322 15.056 1.00 89.50 O ATOM 1288 CG2 THR A 81 13.945 -14.686 14.983 1.00 89.50 C ATOM 0 H THR A 81 14.050 -11.269 12.891 1.00 89.50 H new ATOM 0 HA THR A 81 15.448 -13.681 12.976 1.00 89.50 H new ATOM 0 HB THR A 81 12.712 -13.127 14.176 1.00 89.50 H new ATOM 0 HG1 THR A 81 13.989 -12.299 15.948 1.00 89.50 H new ATOM 0 HG21 THR A 81 13.490 -14.641 15.973 1.00 89.50 H new ATOM 0 HG22 THR A 81 13.459 -15.465 14.396 1.00 89.50 H new ATOM 0 HG23 THR A 81 15.006 -14.915 15.081 1.00 89.50 H new ATOM 1296 N GLY A 82 12.406 -14.025 11.691 1.00 8.65 N ATOM 1297 CA GLY A 82 11.578 -14.920 10.832 1.00 8.65 C ATOM 1298 C GLY A 82 10.274 -15.257 11.558 1.00 8.65 C ATOM 0 H GLY A 82 11.940 -13.171 11.999 1.00 8.65 H new ATOM 0 HA2 GLY A 82 11.362 -14.432 9.881 1.00 8.65 H new ATOM 0 HA3 GLY A 82 12.127 -15.834 10.604 1.00 8.65 H new