USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 505 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 47 CYS SG : rot -168:sc= -3.16 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -5.86! C(o=-12!,f=-13!) USER MOD Set 1.3: A 71 CYS SG : rot 78:sc= -2.72! USER MOD Set 1.4: A 73 SER OG : rot -146:sc= 0.254 USER MOD Set 1.5: A 74 CYS SG : rot 180:sc= -1.65 USER MOD Set 1.6: A 76 THR OG1 : rot 103:sc= 0.876 USER MOD Set 2.1: A 62 ASN : amide:sc= -3.53! C(o=-4.9!,f=-4.1!) USER MOD Set 2.2: A 70 GLN : amide:sc= -1.35 K(o=-4.9,f=-5.4!) USER MOD Set 3.1: A 14 CYS SG : rot 20:sc=-0.00323 USER MOD Set 3.2: A 17 CYS SG : rot -48:sc= -0.682 USER MOD Set 3.3: A 25 SER OG : rot 83:sc= 0.0706 USER MOD Set 3.4: A 52 HIS : no HE2:sc= -4.99! C(o=-5.9!,f=-10!) USER MOD Set 3.5: A 55 CYS SG : rot 180:sc= -0.333 USER MOD Set 4.1: A 43 HIS : no HD1:sc= -0.723 K(o=0.22,f=-2.4) USER MOD Set 4.2: A 48 SER OG : rot 6:sc= 0.948 USER MOD Single : A 3 THR OG1 : rot 177:sc= -1.89! USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0584) USER MOD Single : A 18 MET CE :methyl -147:sc= -0.681 (180deg=-2.46!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -65:sc= 1.75 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -166:sc= -0.911 USER MOD Single : A 38 SER OG : rot -59:sc= 0.976 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -177:sc= -1.84! (180deg=-1.89!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 36:sc= 0.382 USER MOD Single : A 64 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.9!) USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= -0.0683 (180deg=-0.406) USER MOD Single : A 68 SER OG : rot 100:sc= -4.6! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.536 -0.232 -3.828 1.00 0.00 N ATOM 37 CA THR A 3 2.692 -1.351 -4.227 1.00 0.00 C ATOM 38 C THR A 3 1.877 -1.010 -5.470 1.00 0.00 C ATOM 39 O THR A 3 1.848 0.140 -5.906 1.00 0.00 O ATOM 40 CB THR A 3 1.732 -1.763 -3.094 1.00 0.00 C ATOM 41 OG1 THR A 3 0.403 -1.909 -3.608 1.00 0.00 O ATOM 42 CG2 THR A 3 1.739 -0.730 -1.978 1.00 0.00 C ATOM 0 HA THR A 3 3.358 -2.185 -4.450 1.00 0.00 H new ATOM 0 HB THR A 3 2.071 -2.716 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.191 -2.223 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.054 -1.042 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.746 -0.642 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.422 0.235 -2.373 1.00 0.00 H new ATOM 50 N GLU A 4 1.216 -2.016 -6.033 1.00 0.00 N ATOM 51 CA GLU A 4 0.400 -1.820 -7.226 1.00 0.00 C ATOM 52 C GLU A 4 -0.903 -2.608 -7.129 1.00 0.00 C ATOM 53 O GLU A 4 -0.893 -3.829 -6.982 1.00 0.00 O ATOM 54 CB GLU A 4 1.174 -2.247 -8.475 1.00 0.00 C ATOM 55 CG GLU A 4 0.383 -3.156 -9.401 1.00 0.00 C ATOM 56 CD GLU A 4 1.067 -3.365 -10.738 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.125 -4.027 -10.764 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.545 -2.867 -11.756 1.00 0.00 O ATOM 0 H GLU A 4 1.229 -2.974 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 4 0.159 -0.760 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.478 -1.357 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.086 -2.759 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.236 -4.122 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.606 -2.728 -9.566 1.00 0.00 H new ATOM 65 N GLU A 5 -2.024 -1.897 -7.211 1.00 0.00 N ATOM 66 CA GLU A 5 -3.336 -2.529 -7.131 1.00 0.00 C ATOM 67 C GLU A 5 -3.318 -3.905 -7.790 1.00 0.00 C ATOM 68 O GLU A 5 -2.682 -4.100 -8.827 1.00 0.00 O ATOM 69 CB GLU A 5 -4.393 -1.646 -7.796 1.00 0.00 C ATOM 70 CG GLU A 5 -5.735 -1.661 -7.083 1.00 0.00 C ATOM 71 CD GLU A 5 -6.668 -0.571 -7.572 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.653 -0.900 -8.265 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.413 0.612 -7.263 1.00 0.00 O ATOM 0 H GLU A 5 -2.050 -0.885 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.588 -2.653 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.024 -0.621 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.534 -1.976 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.209 -2.632 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.574 -1.543 -6.011 1.00 0.00 H new ATOM 80 N LEU A 6 -4.020 -4.855 -7.183 1.00 0.00 N ATOM 81 CA LEU A 6 -4.085 -6.214 -7.709 1.00 0.00 C ATOM 82 C LEU A 6 -5.384 -6.438 -8.478 1.00 0.00 C ATOM 83 O LEU A 6 -5.547 -7.447 -9.163 1.00 0.00 O ATOM 84 CB LEU A 6 -3.971 -7.229 -6.571 1.00 0.00 C ATOM 85 CG LEU A 6 -2.586 -7.381 -5.943 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.457 -8.731 -5.255 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.501 -7.211 -6.997 1.00 0.00 C ATOM 0 H LEU A 6 -4.553 -4.709 -6.325 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.249 -6.352 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.674 -6.947 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.286 -8.202 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.461 -6.601 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.464 -8.821 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.211 -8.814 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.603 -9.527 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.521 -7.322 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.624 -7.969 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.580 -6.220 -7.444 1.00 0.00 H new ATOM 99 N LYS A 7 -6.306 -5.488 -8.362 1.00 0.00 N ATOM 100 CA LYS A 7 -7.589 -5.578 -9.048 1.00 0.00 C ATOM 101 C LYS A 7 -8.403 -6.758 -8.525 1.00 0.00 C ATOM 102 O LYS A 7 -9.472 -7.068 -9.052 1.00 0.00 O ATOM 103 CB LYS A 7 -7.375 -5.720 -10.556 1.00 0.00 C ATOM 104 CG LYS A 7 -8.187 -4.736 -11.381 1.00 0.00 C ATOM 105 CD LYS A 7 -8.281 -5.172 -12.834 1.00 0.00 C ATOM 106 CE LYS A 7 -7.908 -4.041 -13.780 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.823 -2.874 -13.638 1.00 0.00 N ATOM 0 H LYS A 7 -6.188 -4.646 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.144 -4.661 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.317 -5.582 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.634 -6.735 -10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.189 -4.647 -10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.729 -3.748 -11.325 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.620 -6.022 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.295 -5.508 -13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.884 -3.725 -13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.938 -4.403 -14.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.681 -2.222 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.809 -3.205 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.619 -2.379 -12.746 1.00 0.00 H new ATOM 121 N VAL A 8 -7.892 -7.410 -7.486 1.00 0.00 N ATOM 122 CA VAL A 8 -8.573 -8.553 -6.891 1.00 0.00 C ATOM 123 C VAL A 8 -7.909 -8.970 -5.584 1.00 0.00 C ATOM 124 O VAL A 8 -6.684 -8.994 -5.461 1.00 0.00 O ATOM 125 CB VAL A 8 -8.591 -9.758 -7.851 1.00 0.00 C ATOM 126 CG1 VAL A 8 -7.183 -10.085 -8.324 1.00 0.00 C ATOM 127 CG2 VAL A 8 -9.231 -10.963 -7.180 1.00 0.00 C ATOM 0 H VAL A 8 -7.008 -7.166 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.598 -8.241 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.189 -9.497 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.216 -10.939 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.765 -9.224 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.558 -10.327 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.236 -11.805 -7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.662 -11.228 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.255 -10.720 -6.897 1.00 0.00 H new ATOM 137 N PRO A 9 -8.734 -9.306 -4.581 1.00 0.00 N ATOM 138 CA PRO A 9 -8.248 -9.729 -3.264 1.00 0.00 C ATOM 139 C PRO A 9 -7.581 -11.099 -3.305 1.00 0.00 C ATOM 140 O PRO A 9 -8.230 -12.128 -3.498 1.00 0.00 O ATOM 141 CB PRO A 9 -9.522 -9.779 -2.417 1.00 0.00 C ATOM 142 CG PRO A 9 -10.621 -10.007 -3.396 1.00 0.00 C ATOM 143 CD PRO A 9 -10.204 -9.300 -4.656 1.00 0.00 C ATOM 0 HA PRO A 9 -7.486 -9.054 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.476 -10.581 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.668 -8.849 -1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.769 -11.072 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.566 -9.613 -3.021 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.563 -9.818 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.600 -8.285 -4.697 1.00 0.00 H new ATOM 151 N PRO A 10 -6.252 -11.118 -3.120 1.00 0.00 N ATOM 152 CA PRO A 10 -5.468 -12.355 -3.130 1.00 0.00 C ATOM 153 C PRO A 10 -5.749 -13.230 -1.912 1.00 0.00 C ATOM 154 O PRO A 10 -6.728 -13.019 -1.197 1.00 0.00 O ATOM 155 CB PRO A 10 -4.020 -11.859 -3.109 1.00 0.00 C ATOM 156 CG PRO A 10 -4.090 -10.514 -2.473 1.00 0.00 C ATOM 157 CD PRO A 10 -5.414 -9.930 -2.884 1.00 0.00 C ATOM 0 HA PRO A 10 -5.706 -12.980 -3.990 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.379 -12.533 -2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.607 -11.800 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.017 -10.591 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.265 -9.883 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.831 -9.292 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.322 -9.318 -3.781 1.00 0.00 H new ATOM 165 N ASP A 11 -4.883 -14.211 -1.682 1.00 0.00 N ATOM 166 CA ASP A 11 -5.037 -15.116 -0.550 1.00 0.00 C ATOM 167 C ASP A 11 -3.889 -14.948 0.441 1.00 0.00 C ATOM 168 O ASP A 11 -3.216 -15.915 0.794 1.00 0.00 O ATOM 169 CB ASP A 11 -5.101 -16.566 -1.033 1.00 0.00 C ATOM 170 CG ASP A 11 -5.757 -16.694 -2.394 1.00 0.00 C ATOM 171 OD1 ASP A 11 -5.064 -17.093 -3.353 1.00 0.00 O ATOM 172 OD2 ASP A 11 -6.966 -16.395 -2.500 1.00 0.00 O ATOM 0 H ASP A 11 -4.067 -14.399 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.970 -14.868 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.092 -16.975 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.654 -17.163 -0.308 1.00 0.00 H new ATOM 177 N GLU A 12 -3.673 -13.713 0.883 1.00 0.00 N ATOM 178 CA GLU A 12 -2.604 -13.419 1.831 1.00 0.00 C ATOM 179 C GLU A 12 -3.176 -13.024 3.189 1.00 0.00 C ATOM 180 O GLU A 12 -2.624 -13.373 4.233 1.00 0.00 O ATOM 181 CB GLU A 12 -1.712 -12.298 1.295 1.00 0.00 C ATOM 182 CG GLU A 12 -0.754 -12.749 0.207 1.00 0.00 C ATOM 183 CD GLU A 12 0.623 -13.088 0.744 1.00 0.00 C ATOM 184 OE1 GLU A 12 0.747 -13.294 1.970 1.00 0.00 O ATOM 185 OE2 GLU A 12 1.577 -13.147 -0.060 1.00 0.00 O ATOM 0 H GLU A 12 -4.223 -12.901 0.601 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.005 -14.321 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.342 -11.499 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.138 -11.876 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.168 -13.622 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.664 -11.962 -0.542 1.00 0.00 H new ATOM 192 N ASP A 13 -4.285 -12.294 3.168 1.00 0.00 N ATOM 193 CA ASP A 13 -4.934 -11.851 4.397 1.00 0.00 C ATOM 194 C ASP A 13 -4.178 -10.680 5.018 1.00 0.00 C ATOM 195 O ASP A 13 -2.967 -10.751 5.230 1.00 0.00 O ATOM 196 CB ASP A 13 -5.022 -13.005 5.397 1.00 0.00 C ATOM 197 CG ASP A 13 -6.069 -12.767 6.466 1.00 0.00 C ATOM 198 OD1 ASP A 13 -7.237 -13.157 6.251 1.00 0.00 O ATOM 199 OD2 ASP A 13 -5.722 -12.190 7.518 1.00 0.00 O ATOM 0 H ASP A 13 -4.754 -11.996 2.313 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.942 -11.519 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.255 -13.927 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.050 -13.147 5.870 1.00 0.00 H new ATOM 204 N CYS A 14 -4.901 -9.603 5.307 1.00 0.00 N ATOM 205 CA CYS A 14 -4.300 -8.416 5.902 1.00 0.00 C ATOM 206 C CYS A 14 -3.568 -8.766 7.195 1.00 0.00 C ATOM 207 O CYS A 14 -3.751 -9.850 7.749 1.00 0.00 O ATOM 208 CB CYS A 14 -5.373 -7.361 6.181 1.00 0.00 C ATOM 209 SG CYS A 14 -4.711 -5.696 6.512 1.00 0.00 S ATOM 0 H CYS A 14 -5.904 -9.528 5.139 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.577 -8.012 5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.047 -7.309 5.326 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.968 -7.681 7.037 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.500 -5.610 6.047 1.00 0.00 H new ATOM 214 N ILE A 15 -2.739 -7.841 7.668 1.00 0.00 N ATOM 215 CA ILE A 15 -1.981 -8.052 8.894 1.00 0.00 C ATOM 216 C ILE A 15 -2.311 -6.987 9.934 1.00 0.00 C ATOM 217 O ILE A 15 -1.916 -7.094 11.096 1.00 0.00 O ATOM 218 CB ILE A 15 -0.465 -8.040 8.628 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.188 -7.815 7.141 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.166 -9.343 9.098 1.00 0.00 C ATOM 221 CD1 ILE A 15 -0.509 -9.015 6.277 1.00 0.00 C ATOM 0 H ILE A 15 -2.576 -6.939 7.221 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.267 -9.032 9.277 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.019 -7.219 9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.773 -6.962 6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.862 -7.555 7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.238 -9.319 8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.006 -9.465 10.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.282 -10.179 8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.288 -8.783 5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.095 -9.865 6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.566 -9.263 6.377 1.00 0.00 H new ATOM 233 N ILE A 16 -3.040 -5.960 9.510 1.00 0.00 N ATOM 234 CA ILE A 16 -3.426 -4.876 10.406 1.00 0.00 C ATOM 235 C ILE A 16 -4.737 -5.192 11.119 1.00 0.00 C ATOM 236 O ILE A 16 -4.766 -5.365 12.337 1.00 0.00 O ATOM 237 CB ILE A 16 -3.576 -3.544 9.646 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.491 -3.418 8.575 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.510 -2.372 10.615 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.627 -2.187 8.731 1.00 0.00 C ATOM 0 H ILE A 16 -3.375 -5.856 8.552 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.629 -4.777 11.143 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.549 -3.530 9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.856 -4.304 8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.962 -3.399 7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.617 -1.438 10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.315 -2.457 11.345 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.550 -2.380 11.131 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.880 -2.164 7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.250 -1.295 8.669 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.127 -2.214 9.699 1.00 0.00 H new ATOM 252 N CYS A 17 -5.818 -5.267 10.350 1.00 0.00 N ATOM 253 CA CYS A 17 -7.132 -5.564 10.907 1.00 0.00 C ATOM 254 C CYS A 17 -7.348 -7.071 11.018 1.00 0.00 C ATOM 255 O CYS A 17 -8.449 -7.529 11.323 1.00 0.00 O ATOM 256 CB CYS A 17 -8.228 -4.943 10.039 1.00 0.00 C ATOM 257 SG CYS A 17 -8.254 -5.555 8.323 1.00 0.00 S ATOM 0 H CYS A 17 -5.810 -5.126 9.340 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.182 -5.133 11.907 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.196 -5.141 10.499 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.097 -3.861 10.026 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.052 -5.513 7.829 1.00 0.00 H new ATOM 262 N MET A 18 -6.290 -7.835 10.767 1.00 0.00 N ATOM 263 CA MET A 18 -6.364 -9.289 10.840 1.00 0.00 C ATOM 264 C MET A 18 -7.666 -9.799 10.232 1.00 0.00 C ATOM 265 O MET A 18 -8.296 -10.711 10.767 1.00 0.00 O ATOM 266 CB MET A 18 -6.250 -9.754 12.294 1.00 0.00 C ATOM 267 CG MET A 18 -5.124 -9.081 13.061 1.00 0.00 C ATOM 268 SD MET A 18 -3.721 -10.178 13.342 1.00 0.00 S ATOM 269 CE MET A 18 -4.548 -11.627 13.991 1.00 0.00 C ATOM 0 H MET A 18 -5.372 -7.471 10.511 1.00 0.00 H new ATOM 0 HA MET A 18 -5.532 -9.699 10.268 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.193 -9.559 12.804 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.096 -10.833 12.311 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.788 -8.203 12.510 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.503 -8.729 14.021 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.903 -12.119 14.719 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.478 -11.329 14.474 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.767 -12.317 13.176 1.00 0.00 H new ATOM 279 N GLU A 19 -8.063 -9.204 9.112 1.00 0.00 N ATOM 280 CA GLU A 19 -9.292 -9.599 8.432 1.00 0.00 C ATOM 281 C GLU A 19 -8.996 -10.098 7.021 1.00 0.00 C ATOM 282 O GLU A 19 -7.980 -9.743 6.424 1.00 0.00 O ATOM 283 CB GLU A 19 -10.269 -8.423 8.375 1.00 0.00 C ATOM 284 CG GLU A 19 -10.682 -7.907 9.744 1.00 0.00 C ATOM 285 CD GLU A 19 -12.185 -7.921 9.943 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.822 -6.869 9.724 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.724 -8.983 10.319 1.00 0.00 O ATOM 0 H GLU A 19 -7.553 -8.448 8.656 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.746 -10.412 8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.812 -7.609 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.160 -8.728 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.211 -8.517 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.312 -6.890 9.872 1.00 0.00 H new ATOM 294 N LYS A 20 -9.892 -10.925 6.492 1.00 0.00 N ATOM 295 CA LYS A 20 -9.731 -11.473 5.151 1.00 0.00 C ATOM 296 C LYS A 20 -9.508 -10.361 4.131 1.00 0.00 C ATOM 297 O LYS A 20 -10.341 -9.465 3.983 1.00 0.00 O ATOM 298 CB LYS A 20 -10.960 -12.297 4.763 1.00 0.00 C ATOM 299 CG LYS A 20 -10.768 -13.794 4.933 1.00 0.00 C ATOM 300 CD LYS A 20 -10.411 -14.464 3.616 1.00 0.00 C ATOM 301 CE LYS A 20 -9.007 -15.050 3.651 1.00 0.00 C ATOM 302 NZ LYS A 20 -9.011 -16.472 4.090 1.00 0.00 N ATOM 0 H LYS A 20 -10.738 -11.230 6.973 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.854 -12.120 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.808 -11.977 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.214 -12.088 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.980 -13.980 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.681 -14.236 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.131 -15.254 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.483 -13.738 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.558 -14.977 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.385 -14.463 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.036 -16.835 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.416 -16.539 5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.583 -17.037 3.431 1.00 0.00 H new ATOM 316 N LEU A 21 -8.382 -10.424 3.429 1.00 0.00 N ATOM 317 CA LEU A 21 -8.051 -9.423 2.421 1.00 0.00 C ATOM 318 C LEU A 21 -9.202 -9.242 1.436 1.00 0.00 C ATOM 319 O LEU A 21 -9.258 -8.250 0.708 1.00 0.00 O ATOM 320 CB LEU A 21 -6.781 -9.826 1.672 1.00 0.00 C ATOM 321 CG LEU A 21 -5.490 -9.141 2.121 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.371 -9.407 1.126 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.711 -7.645 2.289 1.00 0.00 C ATOM 0 H LEU A 21 -7.683 -11.158 3.539 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.879 -8.474 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.651 -10.904 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.928 -9.620 0.612 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.198 -9.556 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.460 -8.912 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.195 -10.480 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.655 -9.020 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.782 -7.174 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.028 -7.215 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.482 -7.473 3.040 1.00 0.00 H new ATOM 335 N SER A 22 -10.119 -10.204 1.421 1.00 0.00 N ATOM 336 CA SER A 22 -11.267 -10.151 0.524 1.00 0.00 C ATOM 337 C SER A 22 -12.303 -9.148 1.026 1.00 0.00 C ATOM 338 O SER A 22 -12.785 -8.305 0.270 1.00 0.00 O ATOM 339 CB SER A 22 -11.903 -11.536 0.394 1.00 0.00 C ATOM 340 OG SER A 22 -12.888 -11.551 -0.625 1.00 0.00 O ATOM 0 H SER A 22 -10.089 -11.029 2.020 1.00 0.00 H new ATOM 0 HA SER A 22 -10.917 -9.826 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.133 -12.274 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.354 -11.823 1.344 1.00 0.00 H new ATOM 0 HG SER A 22 -13.278 -12.448 -0.689 1.00 0.00 H new ATOM 346 N THR A 23 -12.639 -9.247 2.308 1.00 0.00 N ATOM 347 CA THR A 23 -13.618 -8.351 2.912 1.00 0.00 C ATOM 348 C THR A 23 -13.279 -6.893 2.624 1.00 0.00 C ATOM 349 O THR A 23 -13.728 -6.328 1.628 1.00 0.00 O ATOM 350 CB THR A 23 -13.701 -8.556 4.437 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.395 -8.453 5.016 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.303 -9.913 4.768 1.00 0.00 C ATOM 0 H THR A 23 -12.248 -9.938 2.948 1.00 0.00 H new ATOM 0 HA THR A 23 -14.584 -8.591 2.468 1.00 0.00 H new ATOM 0 HB THR A 23 -14.344 -7.780 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.833 -9.186 4.688 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.352 -10.035 5.850 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.308 -9.977 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.682 -10.700 4.341 1.00 0.00 H new ATOM 360 N ALA A 24 -12.485 -6.290 3.502 1.00 0.00 N ATOM 361 CA ALA A 24 -12.084 -4.898 3.340 1.00 0.00 C ATOM 362 C ALA A 24 -11.269 -4.419 4.537 1.00 0.00 C ATOM 363 O ALA A 24 -11.036 -5.171 5.483 1.00 0.00 O ATOM 364 CB ALA A 24 -13.309 -4.016 3.146 1.00 0.00 C ATOM 0 H ALA A 24 -12.106 -6.744 4.333 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.454 -4.827 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.995 -2.979 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.851 -4.336 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.959 -4.100 4.017 1.00 0.00 H new ATOM 370 N SER A 25 -10.838 -3.162 4.488 1.00 0.00 N ATOM 371 CA SER A 25 -10.044 -2.585 5.565 1.00 0.00 C ATOM 372 C SER A 25 -10.903 -2.340 6.803 1.00 0.00 C ATOM 373 O SER A 25 -11.771 -1.468 6.807 1.00 0.00 O ATOM 374 CB SER A 25 -9.404 -1.272 5.108 1.00 0.00 C ATOM 375 OG SER A 25 -8.720 -0.640 6.176 1.00 0.00 O ATOM 0 H SER A 25 -11.026 -2.525 3.714 1.00 0.00 H new ATOM 0 HA SER A 25 -9.258 -3.295 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.709 -1.467 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.173 -0.605 4.719 1.00 0.00 H new ATOM 0 HG SER A 25 -7.829 -1.036 6.274 1.00 0.00 H new ATOM 381 N GLY A 26 -10.656 -3.119 7.851 1.00 0.00 N ATOM 382 CA GLY A 26 -11.414 -2.973 9.079 1.00 0.00 C ATOM 383 C GLY A 26 -11.180 -1.634 9.750 1.00 0.00 C ATOM 384 O GLY A 26 -11.934 -1.236 10.638 1.00 0.00 O ATOM 0 H GLY A 26 -9.944 -3.849 7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.476 -3.086 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.142 -3.773 9.767 1.00 0.00 H new ATOM 388 N TYR A 27 -10.130 -0.939 9.327 1.00 0.00 N ATOM 389 CA TYR A 27 -9.796 0.361 9.896 1.00 0.00 C ATOM 390 C TYR A 27 -10.679 1.457 9.308 1.00 0.00 C ATOM 391 O TYR A 27 -10.751 2.565 9.840 1.00 0.00 O ATOM 392 CB TYR A 27 -8.323 0.689 9.643 1.00 0.00 C ATOM 393 CG TYR A 27 -7.393 0.157 10.710 1.00 0.00 C ATOM 394 CD1 TYR A 27 -7.717 -0.982 11.438 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.190 0.793 10.991 1.00 0.00 C ATOM 396 CE1 TYR A 27 -6.870 -1.471 12.413 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.337 0.310 11.964 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.682 -0.822 12.672 1.00 0.00 C ATOM 399 OH TYR A 27 -4.836 -1.305 13.644 1.00 0.00 O ATOM 0 H TYR A 27 -9.496 -1.254 8.593 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.973 0.314 10.971 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.028 0.277 8.678 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.206 1.771 9.577 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.647 -1.493 11.238 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.917 1.680 10.439 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.137 -2.357 12.970 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.405 0.816 12.169 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.042 -0.733 13.700 1.00 0.00 H new ATOM 409 N SER A 28 -11.352 1.138 8.207 1.00 0.00 N ATOM 410 CA SER A 28 -12.230 2.095 7.543 1.00 0.00 C ATOM 411 C SER A 28 -13.134 2.795 8.554 1.00 0.00 C ATOM 412 O SER A 28 -13.611 3.905 8.313 1.00 0.00 O ATOM 413 CB SER A 28 -13.081 1.390 6.485 1.00 0.00 C ATOM 414 OG SER A 28 -13.974 2.297 5.861 1.00 0.00 O ATOM 0 H SER A 28 -11.306 0.224 7.756 1.00 0.00 H new ATOM 0 HA SER A 28 -11.607 2.846 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.433 0.939 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.645 0.580 6.948 1.00 0.00 H new ATOM 0 HG SER A 28 -14.505 1.822 5.188 1.00 0.00 H new ATOM 420 N ASP A 29 -13.362 2.140 9.686 1.00 0.00 N ATOM 421 CA ASP A 29 -14.206 2.699 10.735 1.00 0.00 C ATOM 422 C ASP A 29 -13.634 4.016 11.251 1.00 0.00 C ATOM 423 O ASP A 29 -14.372 4.966 11.511 1.00 0.00 O ATOM 424 CB ASP A 29 -14.349 1.705 11.890 1.00 0.00 C ATOM 425 CG ASP A 29 -15.768 1.192 12.040 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.284 1.198 13.177 1.00 0.00 O ATOM 427 OD2 ASP A 29 -16.362 0.784 11.019 1.00 0.00 O ATOM 0 H ASP A 29 -12.974 1.221 9.901 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.190 2.893 10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.677 0.863 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.039 2.184 12.819 1.00 0.00 H new ATOM 432 N VAL A 30 -12.313 4.064 11.397 1.00 0.00 N ATOM 433 CA VAL A 30 -11.641 5.264 11.881 1.00 0.00 C ATOM 434 C VAL A 30 -10.851 5.939 10.766 1.00 0.00 C ATOM 435 O VAL A 30 -11.075 7.109 10.452 1.00 0.00 O ATOM 436 CB VAL A 30 -10.688 4.942 13.048 1.00 0.00 C ATOM 437 CG1 VAL A 30 -10.960 5.859 14.230 1.00 0.00 C ATOM 438 CG2 VAL A 30 -10.819 3.481 13.453 1.00 0.00 C ATOM 0 H VAL A 30 -11.688 3.286 11.187 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.419 5.942 12.233 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.664 5.114 12.716 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.277 5.616 15.044 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.810 6.896 13.928 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.988 5.724 14.566 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.139 3.270 14.278 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.844 3.281 13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.568 2.844 12.605 1.00 0.00 H new ATOM 448 N THR A 31 -9.927 5.194 10.168 1.00 0.00 N ATOM 449 CA THR A 31 -9.102 5.721 9.087 1.00 0.00 C ATOM 450 C THR A 31 -9.959 6.388 8.017 1.00 0.00 C ATOM 451 O THR A 31 -9.960 7.612 7.883 1.00 0.00 O ATOM 452 CB THR A 31 -8.256 4.612 8.434 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.111 3.586 7.914 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.287 4.008 9.439 1.00 0.00 C ATOM 0 H THR A 31 -9.731 4.224 10.414 1.00 0.00 H new ATOM 0 HA THR A 31 -8.436 6.462 9.530 1.00 0.00 H new ATOM 0 HB THR A 31 -7.682 5.055 7.620 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.578 2.791 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.700 3.227 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.619 4.784 9.813 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.846 3.579 10.271 1.00 0.00 H new ATOM 517 N LEU A 36 -7.695 6.362 -0.694 1.00 0.00 N ATOM 518 CA LEU A 36 -7.631 4.971 -1.129 1.00 0.00 C ATOM 519 C LEU A 36 -9.027 4.425 -1.410 1.00 0.00 C ATOM 520 O LEU A 36 -9.347 4.065 -2.543 1.00 0.00 O ATOM 521 CB LEU A 36 -6.940 4.115 -0.066 1.00 0.00 C ATOM 522 CG LEU A 36 -5.497 4.494 0.268 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.904 3.510 1.264 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.654 4.549 -0.998 1.00 0.00 C ATOM 0 HA LEU A 36 -7.052 4.930 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.529 4.164 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.954 3.077 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.497 5.484 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.877 3.796 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.493 3.520 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.916 2.507 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.630 4.820 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.660 3.572 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.067 5.294 -1.678 1.00 0.00 H new ATOM 536 N GLY A 37 -9.856 4.367 -0.372 1.00 0.00 N ATOM 537 CA GLY A 37 -11.208 3.866 -0.528 1.00 0.00 C ATOM 538 C GLY A 37 -11.496 2.683 0.375 1.00 0.00 C ATOM 539 O GLY A 37 -12.655 2.365 0.643 1.00 0.00 O ATOM 0 H GLY A 37 -9.614 4.659 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.916 4.666 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.366 3.574 -1.566 1.00 0.00 H new ATOM 543 N SER A 38 -10.439 2.027 0.844 1.00 0.00 N ATOM 544 CA SER A 38 -10.584 0.869 1.718 1.00 0.00 C ATOM 545 C SER A 38 -10.957 -0.374 0.915 1.00 0.00 C ATOM 546 O SER A 38 -11.489 -1.342 1.458 1.00 0.00 O ATOM 547 CB SER A 38 -11.648 1.138 2.784 1.00 0.00 C ATOM 548 OG SER A 38 -12.915 0.651 2.376 1.00 0.00 O ATOM 0 H SER A 38 -9.473 2.278 0.633 1.00 0.00 H new ATOM 0 HA SER A 38 -9.626 0.692 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.357 0.663 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.712 2.209 2.976 1.00 0.00 H new ATOM 0 HG SER A 38 -13.175 1.081 1.535 1.00 0.00 H new ATOM 554 N LEU A 39 -10.672 -0.339 -0.383 1.00 0.00 N ATOM 555 CA LEU A 39 -10.976 -1.462 -1.262 1.00 0.00 C ATOM 556 C LEU A 39 -9.922 -1.598 -2.356 1.00 0.00 C ATOM 557 O LEU A 39 -10.207 -2.087 -3.449 1.00 0.00 O ATOM 558 CB LEU A 39 -12.360 -1.283 -1.891 1.00 0.00 C ATOM 559 CG LEU A 39 -13.272 -2.510 -1.866 1.00 0.00 C ATOM 560 CD1 LEU A 39 -12.608 -3.684 -2.568 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.633 -2.877 -0.434 1.00 0.00 C ATOM 0 H LEU A 39 -10.231 0.454 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.971 -2.372 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.868 -0.467 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.229 -0.974 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.190 -2.267 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.272 -4.548 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.402 -3.419 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.673 -3.928 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.282 -3.752 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.724 -3.100 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.151 -2.041 0.036 1.00 0.00 H new ATOM 573 N ALA A 40 -8.703 -1.163 -2.053 1.00 0.00 N ATOM 574 CA ALA A 40 -7.605 -1.241 -3.008 1.00 0.00 C ATOM 575 C ALA A 40 -6.443 -2.051 -2.445 1.00 0.00 C ATOM 576 O ALA A 40 -5.671 -1.559 -1.623 1.00 0.00 O ATOM 577 CB ALA A 40 -7.140 0.157 -3.392 1.00 0.00 C ATOM 0 H ALA A 40 -8.451 -0.753 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.968 -1.750 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.319 0.084 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.967 0.704 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.800 0.685 -2.501 1.00 0.00 H new ATOM 583 N VAL A 41 -6.325 -3.297 -2.893 1.00 0.00 N ATOM 584 CA VAL A 41 -5.256 -4.176 -2.434 1.00 0.00 C ATOM 585 C VAL A 41 -4.086 -4.177 -3.411 1.00 0.00 C ATOM 586 O VAL A 41 -4.279 -4.217 -4.625 1.00 0.00 O ATOM 587 CB VAL A 41 -5.757 -5.621 -2.250 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.667 -6.493 -1.647 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.009 -5.644 -1.385 1.00 0.00 C ATOM 0 H VAL A 41 -6.956 -3.720 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.921 -3.789 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.011 -6.026 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.040 -7.510 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.801 -6.502 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.378 -6.094 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.350 -6.672 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.783 -5.220 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.792 -5.056 -1.863 1.00 0.00 H new ATOM 599 N GLY A 42 -2.871 -4.131 -2.872 1.00 0.00 N ATOM 600 CA GLY A 42 -1.687 -4.127 -3.711 1.00 0.00 C ATOM 601 C GLY A 42 -0.430 -4.482 -2.941 1.00 0.00 C ATOM 602 O GLY A 42 -0.032 -3.763 -2.023 1.00 0.00 O ATOM 0 H GLY A 42 -2.686 -4.096 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.822 -4.836 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.568 -3.141 -4.161 1.00 0.00 H new ATOM 606 N HIS A 43 0.197 -5.593 -3.314 1.00 0.00 N ATOM 607 CA HIS A 43 1.416 -6.042 -2.651 1.00 0.00 C ATOM 608 C HIS A 43 2.529 -5.010 -2.804 1.00 0.00 C ATOM 609 O HIS A 43 2.719 -4.440 -3.879 1.00 0.00 O ATOM 610 CB HIS A 43 1.867 -7.386 -3.225 1.00 0.00 C ATOM 611 CG HIS A 43 2.505 -7.277 -4.576 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.567 -8.061 -4.972 1.00 0.00 N ATOM 613 CD2 HIS A 43 2.222 -6.470 -5.625 1.00 0.00 C ATOM 614 CE1 HIS A 43 3.912 -7.740 -6.207 1.00 0.00 C ATOM 615 NE2 HIS A 43 3.110 -6.777 -6.625 1.00 0.00 N ATOM 0 H HIS A 43 -0.119 -6.199 -4.072 1.00 0.00 H new ATOM 0 HA HIS A 43 1.201 -6.163 -1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.573 -7.848 -2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.006 -8.051 -3.292 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.443 -5.724 -5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.712 -8.188 -6.777 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.145 -6.333 -7.543 1.00 0.00 H new ATOM 623 N LEU A 44 3.262 -4.773 -1.722 1.00 0.00 N ATOM 624 CA LEU A 44 4.357 -3.809 -1.735 1.00 0.00 C ATOM 625 C LEU A 44 5.536 -4.336 -2.546 1.00 0.00 C ATOM 626 O LEU A 44 6.294 -5.188 -2.079 1.00 0.00 O ATOM 627 CB LEU A 44 4.803 -3.496 -0.306 1.00 0.00 C ATOM 628 CG LEU A 44 4.627 -2.047 0.150 1.00 0.00 C ATOM 629 CD1 LEU A 44 3.859 -1.990 1.462 1.00 0.00 C ATOM 630 CD2 LEU A 44 5.979 -1.364 0.291 1.00 0.00 C ATOM 0 H LEU A 44 3.118 -5.235 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 44 3.998 -2.893 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.248 -4.140 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.856 -3.761 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 44 4.051 -1.515 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.743 -0.951 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.875 -2.440 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.407 -2.538 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.834 -0.334 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.580 -1.896 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.493 -1.372 -0.670 1.00 0.00 H new ATOM 642 N THR A 45 5.689 -3.822 -3.762 1.00 0.00 N ATOM 643 CA THR A 45 6.777 -4.239 -4.637 1.00 0.00 C ATOM 644 C THR A 45 8.084 -4.377 -3.863 1.00 0.00 C ATOM 645 O THR A 45 8.949 -5.176 -4.222 1.00 0.00 O ATOM 646 CB THR A 45 6.983 -3.242 -5.794 1.00 0.00 C ATOM 647 OG1 THR A 45 7.509 -2.009 -5.290 1.00 0.00 O ATOM 648 CG2 THR A 45 5.672 -2.980 -6.520 1.00 0.00 C ATOM 0 H THR A 45 5.072 -3.116 -4.163 1.00 0.00 H new ATOM 0 HA THR A 45 6.496 -5.209 -5.048 1.00 0.00 H new ATOM 0 HB THR A 45 7.691 -3.677 -6.499 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.639 -1.381 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.841 -2.274 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.288 -3.916 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.946 -2.563 -5.822 1.00 0.00 H new ATOM 656 N LYS A 46 8.220 -3.593 -2.798 1.00 0.00 N ATOM 657 CA LYS A 46 9.421 -3.629 -1.971 1.00 0.00 C ATOM 658 C LYS A 46 9.718 -5.050 -1.504 1.00 0.00 C ATOM 659 O LYS A 46 10.696 -5.664 -1.933 1.00 0.00 O ATOM 660 CB LYS A 46 9.258 -2.706 -0.761 1.00 0.00 C ATOM 661 CG LYS A 46 9.822 -1.313 -0.977 1.00 0.00 C ATOM 662 CD LYS A 46 10.896 -0.981 0.046 1.00 0.00 C ATOM 663 CE LYS A 46 11.969 -2.058 0.099 1.00 0.00 C ATOM 664 NZ LYS A 46 13.334 -1.489 -0.075 1.00 0.00 N ATOM 0 H LYS A 46 7.514 -2.926 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 46 10.259 -3.282 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.199 -2.626 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.751 -3.159 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.240 -1.240 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.018 -0.580 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.353 -0.023 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.441 -0.871 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.912 -2.581 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.781 -2.797 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.037 -2.254 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.396 -1.012 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.523 -0.803 0.683 1.00 0.00 H new ATOM 678 N CYS A 47 8.867 -5.570 -0.625 1.00 0.00 N ATOM 679 CA CYS A 47 9.038 -6.919 -0.100 1.00 0.00 C ATOM 680 C CYS A 47 8.179 -7.915 -0.874 1.00 0.00 C ATOM 681 O CYS A 47 8.597 -9.046 -1.127 1.00 0.00 O ATOM 682 CB CYS A 47 8.673 -6.961 1.385 1.00 0.00 C ATOM 683 SG CYS A 47 6.962 -6.453 1.745 1.00 0.00 S ATOM 0 H CYS A 47 8.052 -5.077 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 47 10.085 -7.199 -0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.826 -7.974 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.356 -6.313 1.934 1.00 0.00 H new ATOM 0 HG CYS A 47 6.823 -6.274 3.025 1.00 0.00 H new ATOM 688 N SER A 48 6.977 -7.488 -1.248 1.00 0.00 N ATOM 689 CA SER A 48 6.059 -8.343 -1.990 1.00 0.00 C ATOM 690 C SER A 48 5.289 -9.261 -1.045 1.00 0.00 C ATOM 691 O SER A 48 5.469 -10.480 -1.062 1.00 0.00 O ATOM 692 CB SER A 48 6.823 -9.177 -3.020 1.00 0.00 C ATOM 693 OG SER A 48 6.073 -9.329 -4.212 1.00 0.00 O ATOM 0 H SER A 48 6.617 -6.555 -1.049 1.00 0.00 H new ATOM 0 HA SER A 48 5.346 -7.703 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.776 -8.698 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.050 -10.158 -2.602 1.00 0.00 H new ATOM 0 HG SER A 48 5.255 -8.792 -4.155 1.00 0.00 H new ATOM 699 N HIS A 49 4.430 -8.669 -0.223 1.00 0.00 N ATOM 700 CA HIS A 49 3.631 -9.431 0.729 1.00 0.00 C ATOM 701 C HIS A 49 2.147 -9.345 0.387 1.00 0.00 C ATOM 702 O HIS A 49 1.667 -10.031 -0.515 1.00 0.00 O ATOM 703 CB HIS A 49 3.868 -8.922 2.151 1.00 0.00 C ATOM 704 CG HIS A 49 5.254 -9.185 2.658 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.597 -9.095 3.990 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.384 -9.539 2.003 1.00 0.00 C ATOM 707 CE1 HIS A 49 6.879 -9.380 4.133 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.379 -9.654 2.942 1.00 0.00 N ATOM 0 H HIS A 49 4.269 -7.662 -0.197 1.00 0.00 H new ATOM 0 HA HIS A 49 3.940 -10.475 0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.676 -7.849 2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.149 -9.393 2.821 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.484 -9.701 0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.425 -9.388 5.065 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.348 -9.910 2.751 1.00 0.00 H new ATOM 716 N ALA A 50 1.426 -8.496 1.112 1.00 0.00 N ATOM 717 CA ALA A 50 -0.003 -8.318 0.884 1.00 0.00 C ATOM 718 C ALA A 50 -0.685 -7.721 2.111 1.00 0.00 C ATOM 719 O ALA A 50 -0.481 -8.185 3.233 1.00 0.00 O ATOM 720 CB ALA A 50 -0.647 -9.645 0.513 1.00 0.00 C ATOM 0 H ALA A 50 1.808 -7.920 1.862 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.130 -7.621 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.714 -9.497 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.187 -10.031 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.502 -10.359 1.324 1.00 0.00 H new ATOM 726 N PHE A 51 -1.494 -6.691 1.889 1.00 0.00 N ATOM 727 CA PHE A 51 -2.204 -6.029 2.977 1.00 0.00 C ATOM 728 C PHE A 51 -3.238 -5.046 2.434 1.00 0.00 C ATOM 729 O PHE A 51 -3.488 -4.994 1.230 1.00 0.00 O ATOM 730 CB PHE A 51 -1.217 -5.297 3.889 1.00 0.00 C ATOM 731 CG PHE A 51 0.216 -5.453 3.467 1.00 0.00 C ATOM 732 CD1 PHE A 51 1.047 -6.355 4.111 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.733 -4.695 2.429 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.366 -6.501 3.726 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.051 -4.837 2.038 1.00 0.00 C ATOM 736 CZ PHE A 51 2.869 -5.739 2.689 1.00 0.00 C ATOM 0 H PHE A 51 -1.674 -6.297 0.966 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.724 -6.793 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.469 -4.237 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.330 -5.669 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.659 -6.951 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.099 -3.985 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.003 -7.210 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.441 -4.243 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.900 -5.849 2.388 1.00 0.00 H new ATOM 746 N HIS A 52 -3.835 -4.269 3.331 1.00 0.00 N ATOM 747 CA HIS A 52 -4.842 -3.287 2.943 1.00 0.00 C ATOM 748 C HIS A 52 -4.228 -1.894 2.835 1.00 0.00 C ATOM 749 O HIS A 52 -3.996 -1.227 3.844 1.00 0.00 O ATOM 750 CB HIS A 52 -5.990 -3.276 3.952 1.00 0.00 C ATOM 751 CG HIS A 52 -6.909 -4.451 3.826 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.423 -5.124 4.915 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.409 -5.070 2.732 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.198 -6.108 4.495 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.207 -6.098 3.174 1.00 0.00 N ATOM 0 H HIS A 52 -3.639 -4.300 4.332 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.232 -3.569 1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.576 -3.255 4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.566 -2.359 3.825 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.234 -4.897 5.891 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.217 -4.806 1.703 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.734 -6.803 5.125 1.00 0.00 H new ATOM 763 N LEU A 53 -3.968 -1.461 1.607 1.00 0.00 N ATOM 764 CA LEU A 53 -3.381 -0.147 1.367 1.00 0.00 C ATOM 765 C LEU A 53 -3.908 0.876 2.369 1.00 0.00 C ATOM 766 O LEU A 53 -3.195 1.799 2.764 1.00 0.00 O ATOM 767 CB LEU A 53 -3.684 0.317 -0.059 1.00 0.00 C ATOM 768 CG LEU A 53 -2.980 -0.451 -1.177 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.609 -0.130 -2.524 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.492 -0.129 -1.191 1.00 0.00 C ATOM 0 H LEU A 53 -4.154 -2.000 0.761 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.302 -0.230 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.760 0.250 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.414 1.370 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.099 -1.518 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.094 -0.686 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.662 -0.412 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.522 0.939 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.007 -0.685 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.353 0.940 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.050 -0.411 -0.236 1.00 0.00 H new ATOM 782 N LEU A 54 -5.160 0.704 2.779 1.00 0.00 N ATOM 783 CA LEU A 54 -5.783 1.611 3.737 1.00 0.00 C ATOM 784 C LEU A 54 -5.151 1.462 5.118 1.00 0.00 C ATOM 785 O LEU A 54 -4.578 2.409 5.656 1.00 0.00 O ATOM 786 CB LEU A 54 -7.287 1.343 3.820 1.00 0.00 C ATOM 787 CG LEU A 54 -8.040 2.078 4.929 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.358 3.400 5.250 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.490 2.307 4.528 1.00 0.00 C ATOM 0 H LEU A 54 -5.764 -0.055 2.463 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.621 2.632 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.737 1.611 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.438 0.272 3.954 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.026 1.458 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.907 3.910 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.337 3.212 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.341 4.027 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.011 2.831 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.526 2.907 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.974 1.347 4.348 1.00 0.00 H new ATOM 801 N CYS A 55 -5.257 0.265 5.685 1.00 0.00 N ATOM 802 CA CYS A 55 -4.696 -0.011 7.002 1.00 0.00 C ATOM 803 C CYS A 55 -3.232 0.413 7.067 1.00 0.00 C ATOM 804 O CYS A 55 -2.731 0.796 8.125 1.00 0.00 O ATOM 805 CB CYS A 55 -4.824 -1.499 7.333 1.00 0.00 C ATOM 806 SG CYS A 55 -6.504 -2.168 7.112 1.00 0.00 S ATOM 0 H CYS A 55 -5.727 -0.530 5.252 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.257 0.566 7.737 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.135 -2.061 6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.514 -1.659 8.366 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.511 -3.432 7.414 1.00 0.00 H new ATOM 811 N LEU A 56 -2.548 0.340 5.931 1.00 0.00 N ATOM 812 CA LEU A 56 -1.141 0.714 5.857 1.00 0.00 C ATOM 813 C LEU A 56 -0.977 2.229 5.937 1.00 0.00 C ATOM 814 O LEU A 56 -0.283 2.744 6.814 1.00 0.00 O ATOM 815 CB LEU A 56 -0.519 0.190 4.563 1.00 0.00 C ATOM 816 CG LEU A 56 -0.841 -1.261 4.203 1.00 0.00 C ATOM 817 CD1 LEU A 56 0.193 -1.813 3.235 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.910 -2.118 5.459 1.00 0.00 C ATOM 0 H LEU A 56 -2.946 0.024 5.047 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.626 0.265 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.846 0.828 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.564 0.294 4.636 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.815 -1.287 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.053 -2.846 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.194 -1.215 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.180 -1.774 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.140 -3.148 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.050 -2.086 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.689 -1.735 6.118 1.00 0.00 H new ATOM 830 N LEU A 57 -1.620 2.938 5.016 1.00 0.00 N ATOM 831 CA LEU A 57 -1.548 4.394 4.981 1.00 0.00 C ATOM 832 C LEU A 57 -1.758 4.982 6.374 1.00 0.00 C ATOM 833 O LEU A 57 -1.375 6.120 6.641 1.00 0.00 O ATOM 834 CB LEU A 57 -2.592 4.955 4.015 1.00 0.00 C ATOM 835 CG LEU A 57 -2.087 5.985 3.005 1.00 0.00 C ATOM 836 CD1 LEU A 57 -3.220 6.899 2.564 1.00 0.00 C ATOM 837 CD2 LEU A 57 -0.944 6.797 3.597 1.00 0.00 C ATOM 0 H LEU A 57 -2.198 2.527 4.283 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.554 4.676 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.033 4.123 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.391 5.411 4.600 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.713 5.454 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.842 7.626 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.007 6.305 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.624 7.422 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.597 7.525 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.292 7.318 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.123 6.130 3.862 1.00 0.00 H new ATOM 849 N ALA A 58 -2.369 4.198 7.255 1.00 0.00 N ATOM 850 CA ALA A 58 -2.626 4.638 8.620 1.00 0.00 C ATOM 851 C ALA A 58 -1.386 4.479 9.493 1.00 0.00 C ATOM 852 O ALA A 58 -0.831 5.462 9.985 1.00 0.00 O ATOM 853 CB ALA A 58 -3.794 3.864 9.214 1.00 0.00 C ATOM 0 H ALA A 58 -2.695 3.254 7.048 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.883 5.697 8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.974 4.203 10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.687 4.034 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.559 2.800 9.222 1.00 0.00 H new ATOM 859 N MET A 59 -0.956 3.236 9.681 1.00 0.00 N ATOM 860 CA MET A 59 0.221 2.949 10.493 1.00 0.00 C ATOM 861 C MET A 59 1.497 3.376 9.774 1.00 0.00 C ATOM 862 O MET A 59 2.582 3.362 10.354 1.00 0.00 O ATOM 863 CB MET A 59 0.285 1.458 10.828 1.00 0.00 C ATOM 864 CG MET A 59 -0.041 0.556 9.648 1.00 0.00 C ATOM 865 SD MET A 59 1.035 -0.888 9.559 1.00 0.00 S ATOM 866 CE MET A 59 2.388 -0.241 8.579 1.00 0.00 C ATOM 0 H MET A 59 -1.405 2.411 9.282 1.00 0.00 H new ATOM 0 HA MET A 59 0.140 3.519 11.419 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.284 1.218 11.193 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.411 1.246 11.640 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.078 0.228 9.722 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.047 1.127 8.724 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.113 -1.033 8.391 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.004 0.132 7.630 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.872 0.573 9.119 1.00 0.00 H new ATOM 876 N TYR A 60 1.358 3.755 8.508 1.00 0.00 N ATOM 877 CA TYR A 60 2.500 4.183 7.709 1.00 0.00 C ATOM 878 C TYR A 60 3.134 5.440 8.296 1.00 0.00 C ATOM 879 O TYR A 60 4.282 5.770 7.992 1.00 0.00 O ATOM 880 CB TYR A 60 2.069 4.444 6.265 1.00 0.00 C ATOM 881 CG TYR A 60 2.546 5.771 5.721 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.551 5.832 4.763 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.991 6.966 6.164 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.990 7.043 4.263 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.423 8.181 5.669 1.00 0.00 C ATOM 886 CZ TYR A 60 3.423 8.214 4.719 1.00 0.00 C ATOM 887 OH TYR A 60 3.857 9.422 4.224 1.00 0.00 O ATOM 0 H TYR A 60 0.466 3.774 8.013 1.00 0.00 H new ATOM 0 HA TYR A 60 3.241 3.383 7.722 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.449 3.643 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.981 4.407 6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.997 4.917 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.209 6.944 6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.773 7.072 3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.980 9.100 6.024 1.00 0.00 H new ATOM 0 HH TYR A 60 3.355 10.149 4.648 1.00 0.00 H new ATOM 897 N CYS A 61 2.381 6.137 9.139 1.00 0.00 N ATOM 898 CA CYS A 61 2.869 7.358 9.770 1.00 0.00 C ATOM 899 C CYS A 61 4.100 7.074 10.626 1.00 0.00 C ATOM 900 O CYS A 61 4.761 7.994 11.104 1.00 0.00 O ATOM 901 CB CYS A 61 1.771 7.988 10.629 1.00 0.00 C ATOM 902 SG CYS A 61 2.152 8.035 12.396 1.00 0.00 S ATOM 0 H CYS A 61 1.430 5.878 9.402 1.00 0.00 H new ATOM 0 HA CYS A 61 3.150 8.057 8.982 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.590 9.005 10.280 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.845 7.431 10.482 1.00 0.00 H new ATOM 0 HG CYS A 61 3.424 8.247 12.560 1.00 0.00 H new ATOM 908 N ASN A 62 4.400 5.793 10.815 1.00 0.00 N ATOM 909 CA ASN A 62 5.550 5.387 11.614 1.00 0.00 C ATOM 910 C ASN A 62 6.788 5.220 10.740 1.00 0.00 C ATOM 911 O ASN A 62 7.845 5.780 11.027 1.00 0.00 O ATOM 912 CB ASN A 62 5.250 4.080 12.350 1.00 0.00 C ATOM 913 CG ASN A 62 6.312 3.025 12.109 1.00 0.00 C ATOM 914 OD1 ASN A 62 7.504 3.275 12.286 1.00 0.00 O ATOM 915 ND2 ASN A 62 5.882 1.836 11.703 1.00 0.00 N ATOM 0 H ASN A 62 3.862 5.018 10.426 1.00 0.00 H new ATOM 0 HA ASN A 62 5.748 6.170 12.346 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.174 4.277 13.419 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.282 3.698 12.027 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.550 1.086 11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.884 1.673 11.569 1.00 0.00 H new ATOM 922 N GLY A 63 6.650 4.443 9.670 1.00 0.00 N ATOM 923 CA GLY A 63 7.765 4.215 8.769 1.00 0.00 C ATOM 924 C GLY A 63 7.353 4.274 7.311 1.00 0.00 C ATOM 925 O GLY A 63 6.223 4.640 6.992 1.00 0.00 O ATOM 0 H GLY A 63 5.786 3.967 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.538 4.961 8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.205 3.240 8.980 1.00 0.00 H new ATOM 929 N ASN A 64 8.275 3.917 6.422 1.00 0.00 N ATOM 930 CA ASN A 64 8.003 3.934 4.990 1.00 0.00 C ATOM 931 C ASN A 64 7.403 5.271 4.567 1.00 0.00 C ATOM 932 O ASN A 64 6.565 5.330 3.665 1.00 0.00 O ATOM 933 CB ASN A 64 7.054 2.794 4.617 1.00 0.00 C ATOM 934 CG ASN A 64 7.735 1.724 3.785 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.944 1.517 3.888 1.00 0.00 O ATOM 936 ND2 ASN A 64 6.959 1.038 2.953 1.00 0.00 N ATOM 0 H ASN A 64 9.217 3.613 6.669 1.00 0.00 H new ATOM 0 HA ASN A 64 8.948 3.797 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.655 2.344 5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.206 3.197 4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.361 0.306 2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.961 1.243 2.900 1.00 0.00 H new ATOM 943 N LYS A 65 7.835 6.343 5.221 1.00 0.00 N ATOM 944 CA LYS A 65 7.343 7.680 4.913 1.00 0.00 C ATOM 945 C LYS A 65 8.040 8.245 3.679 1.00 0.00 C ATOM 946 O LYS A 65 9.180 8.703 3.754 1.00 0.00 O ATOM 947 CB LYS A 65 7.558 8.612 6.106 1.00 0.00 C ATOM 948 CG LYS A 65 6.266 9.140 6.707 1.00 0.00 C ATOM 949 CD LYS A 65 6.226 8.932 8.212 1.00 0.00 C ATOM 950 CE LYS A 65 5.660 10.148 8.928 1.00 0.00 C ATOM 951 NZ LYS A 65 6.542 11.340 8.779 1.00 0.00 N ATOM 0 H LYS A 65 8.527 6.312 5.970 1.00 0.00 H new ATOM 0 HA LYS A 65 6.276 7.609 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.116 8.080 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.174 9.455 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.166 10.202 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.416 8.636 6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.619 8.057 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.232 8.728 8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.671 10.376 8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.533 9.920 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.384 11.990 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.537 11.037 8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.321 11.826 7.886 1.00 0.00 H new ATOM 965 N ASP A 66 7.346 8.211 2.547 1.00 0.00 N ATOM 966 CA ASP A 66 7.898 8.723 1.298 1.00 0.00 C ATOM 967 C ASP A 66 6.787 9.030 0.298 1.00 0.00 C ATOM 968 O ASP A 66 6.777 10.088 -0.329 1.00 0.00 O ATOM 969 CB ASP A 66 8.877 7.713 0.696 1.00 0.00 C ATOM 970 CG ASP A 66 10.235 8.324 0.410 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.754 8.120 -0.709 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.779 9.006 1.303 1.00 0.00 O ATOM 0 H ASP A 66 6.401 7.835 2.468 1.00 0.00 H new ATOM 0 HA ASP A 66 8.431 9.648 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.996 6.874 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.460 7.313 -0.228 1.00 0.00 H new ATOM 977 N GLY A 67 5.851 8.095 0.154 1.00 0.00 N ATOM 978 CA GLY A 67 4.750 8.284 -0.770 1.00 0.00 C ATOM 979 C GLY A 67 3.997 6.998 -1.046 1.00 0.00 C ATOM 980 O GLY A 67 4.147 6.399 -2.111 1.00 0.00 O ATOM 0 H GLY A 67 5.837 7.210 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.061 9.024 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.132 8.686 -1.708 1.00 0.00 H new ATOM 984 N SER A 68 3.186 6.571 -0.084 1.00 0.00 N ATOM 985 CA SER A 68 2.411 5.344 -0.225 1.00 0.00 C ATOM 986 C SER A 68 1.949 4.833 1.136 1.00 0.00 C ATOM 987 O SER A 68 0.916 5.260 1.654 1.00 0.00 O ATOM 988 CB SER A 68 3.241 4.270 -0.931 1.00 0.00 C ATOM 989 OG SER A 68 2.781 2.970 -0.601 1.00 0.00 O ATOM 0 H SER A 68 3.048 7.057 0.802 1.00 0.00 H new ATOM 0 HA SER A 68 1.530 5.567 -0.827 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.187 4.415 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.289 4.371 -0.648 1.00 0.00 H new ATOM 0 HG SER A 68 2.215 2.630 -1.325 1.00 0.00 H new ATOM 995 N LEU A 69 2.721 3.916 1.710 1.00 0.00 N ATOM 996 CA LEU A 69 2.391 3.345 3.011 1.00 0.00 C ATOM 997 C LEU A 69 3.508 2.429 3.501 1.00 0.00 C ATOM 998 O LEU A 69 4.569 2.344 2.884 1.00 0.00 O ATOM 999 CB LEU A 69 1.076 2.568 2.932 1.00 0.00 C ATOM 1000 CG LEU A 69 0.991 1.504 1.837 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.365 2.083 0.578 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.369 0.935 1.537 1.00 0.00 C ATOM 0 H LEU A 69 3.579 3.553 1.295 1.00 0.00 H new ATOM 0 HA LEU A 69 2.278 4.164 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.904 2.085 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.264 3.280 2.783 1.00 0.00 H new ATOM 0 HG LEU A 69 0.356 0.693 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.313 1.312 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.640 2.440 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.973 2.913 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.288 0.179 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.028 1.736 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.780 0.481 2.439 1.00 0.00 H new ATOM 1014 N GLN A 70 3.259 1.745 4.614 1.00 0.00 N ATOM 1015 CA GLN A 70 4.244 0.833 5.185 1.00 0.00 C ATOM 1016 C GLN A 70 3.703 -0.591 5.234 1.00 0.00 C ATOM 1017 O GLN A 70 2.490 -0.807 5.225 1.00 0.00 O ATOM 1018 CB GLN A 70 4.638 1.291 6.591 1.00 0.00 C ATOM 1019 CG GLN A 70 5.754 0.466 7.209 1.00 0.00 C ATOM 1020 CD GLN A 70 6.157 0.963 8.584 1.00 0.00 C ATOM 1021 OE1 GLN A 70 5.492 1.823 9.164 1.00 0.00 O ATOM 1022 NE2 GLN A 70 7.248 0.424 9.112 1.00 0.00 N ATOM 0 H GLN A 70 2.385 1.805 5.137 1.00 0.00 H new ATOM 0 HA GLN A 70 5.127 0.844 4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.949 2.335 6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.762 1.244 7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.434 -0.573 7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.623 0.486 6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.768 -0.285 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.567 0.719 10.035 1.00 0.00 H new ATOM 1031 N CYS A 71 4.609 -1.562 5.288 1.00 0.00 N ATOM 1032 CA CYS A 71 4.223 -2.967 5.337 1.00 0.00 C ATOM 1033 C CYS A 71 4.078 -3.441 6.781 1.00 0.00 C ATOM 1034 O CYS A 71 5.040 -3.476 7.548 1.00 0.00 O ATOM 1035 CB CYS A 71 5.257 -3.827 4.608 1.00 0.00 C ATOM 1036 SG CYS A 71 4.978 -5.620 4.767 1.00 0.00 S ATOM 0 H CYS A 71 5.616 -1.401 5.299 1.00 0.00 H new ATOM 0 HA CYS A 71 3.258 -3.071 4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.254 -3.562 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.248 -3.589 4.993 1.00 0.00 H new ATOM 0 HG CYS A 71 4.030 -5.985 3.956 1.00 0.00 H new ATOM 1041 N PRO A 72 2.847 -3.813 7.160 1.00 0.00 N ATOM 1042 CA PRO A 72 2.546 -4.292 8.512 1.00 0.00 C ATOM 1043 C PRO A 72 3.152 -5.663 8.790 1.00 0.00 C ATOM 1044 O PRO A 72 3.229 -6.097 9.940 1.00 0.00 O ATOM 1045 CB PRO A 72 1.017 -4.370 8.530 1.00 0.00 C ATOM 1046 CG PRO A 72 0.632 -4.552 7.102 1.00 0.00 C ATOM 1047 CD PRO A 72 1.653 -3.796 6.298 1.00 0.00 C ATOM 0 HA PRO A 72 2.962 -3.637 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.670 -5.202 9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.579 -3.463 8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.626 -5.608 6.831 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.372 -4.170 6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.844 -4.276 5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.325 -2.778 6.086 1.00 0.00 H new ATOM 1055 N SER A 73 3.584 -6.340 7.731 1.00 0.00 N ATOM 1056 CA SER A 73 4.181 -7.664 7.860 1.00 0.00 C ATOM 1057 C SER A 73 5.625 -7.563 8.344 1.00 0.00 C ATOM 1058 O SER A 73 5.934 -7.902 9.486 1.00 0.00 O ATOM 1059 CB SER A 73 4.129 -8.403 6.523 1.00 0.00 C ATOM 1060 OG SER A 73 4.413 -9.781 6.690 1.00 0.00 O ATOM 0 H SER A 73 3.532 -5.993 6.773 1.00 0.00 H new ATOM 0 HA SER A 73 3.607 -8.224 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.142 -8.284 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.847 -7.962 5.832 1.00 0.00 H new ATOM 0 HG SER A 73 4.898 -10.113 5.905 1.00 0.00 H new ATOM 1066 N CYS A 74 6.505 -7.096 7.464 1.00 0.00 N ATOM 1067 CA CYS A 74 7.917 -6.950 7.799 1.00 0.00 C ATOM 1068 C CYS A 74 8.302 -5.478 7.900 1.00 0.00 C ATOM 1069 O CYS A 74 9.385 -5.077 7.471 1.00 0.00 O ATOM 1070 CB CYS A 74 8.785 -7.646 6.748 1.00 0.00 C ATOM 1071 SG CYS A 74 8.731 -6.864 5.103 1.00 0.00 S ATOM 0 H CYS A 74 6.265 -6.812 6.514 1.00 0.00 H new ATOM 0 HA CYS A 74 8.086 -7.418 8.769 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.817 -7.662 7.097 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.464 -8.684 6.656 1.00 0.00 H new ATOM 0 HG CYS A 74 9.497 -7.522 4.284 1.00 0.00 H new ATOM 1076 N LYS A 75 7.410 -4.676 8.471 1.00 0.00 N ATOM 1077 CA LYS A 75 7.656 -3.247 8.631 1.00 0.00 C ATOM 1078 C LYS A 75 8.317 -2.666 7.386 1.00 0.00 C ATOM 1079 O LYS A 75 8.999 -1.643 7.451 1.00 0.00 O ATOM 1080 CB LYS A 75 8.538 -2.995 9.855 1.00 0.00 C ATOM 1081 CG LYS A 75 7.757 -2.857 11.150 1.00 0.00 C ATOM 1082 CD LYS A 75 7.764 -4.151 11.946 1.00 0.00 C ATOM 1083 CE LYS A 75 7.438 -3.907 13.412 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.111 -4.892 14.302 1.00 0.00 N ATOM 0 H LYS A 75 6.509 -4.991 8.831 1.00 0.00 H new ATOM 0 HA LYS A 75 6.696 -2.752 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.249 -3.815 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.119 -2.087 9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.187 -2.056 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.729 -2.571 10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.038 -4.844 11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.742 -4.624 11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.745 -2.898 13.689 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.359 -3.963 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.863 -4.691 15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.799 -5.853 14.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.142 -4.821 14.182 1.00 0.00 H new ATOM 1098 N THR A 76 8.111 -3.324 6.249 1.00 0.00 N ATOM 1099 CA THR A 76 8.687 -2.873 4.989 1.00 0.00 C ATOM 1100 C THR A 76 8.056 -1.562 4.534 1.00 0.00 C ATOM 1101 O THR A 76 8.249 -0.541 5.192 1.00 0.00 O ATOM 1102 CB THR A 76 8.508 -3.927 3.880 1.00 0.00 C ATOM 1103 OG1 THR A 76 9.741 -4.623 3.662 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.051 -3.276 2.583 1.00 0.00 C ATOM 0 H THR A 76 7.549 -4.172 6.176 1.00 0.00 H new ATOM 0 HA THR A 76 9.752 -2.719 5.166 1.00 0.00 H new ATOM 0 HB THR A 76 7.744 -4.634 4.202 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.696 -5.508 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.931 -4.040 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.098 -2.772 2.745 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.796 -2.549 2.259 1.00 0.00 H new