USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 34 CYS SG : rot -116:sc= 0.827! USER MOD Set 1.2: A 37 CYS SG : rot 36:sc= 0.231 USER MOD Set 1.3: A 54 CYS SG : rot 118:sc= -1.19! USER MOD Set 1.4: A 58 HIS : no HE2:sc= -2.31 K(o=-2.4,f=-13!) USER MOD Set 2.1: A 5 CYS SG : rot -127:sc= 0.967 USER MOD Set 2.2: A 8 CYS SG : rot 105:sc= -0.123 USER MOD Set 2.3: A 21 CYS SG : rot -155:sc= 0.0759 USER MOD Set 2.4: A 24 CYS SG : rot 161:sc= -2.97! USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.015) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 10 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= -0.487 K(o=-0.49,f=-2.5) USER MOD Single : A 16 ASN : amide:sc= 0.487 K(o=0.49,f=-0.85) USER MOD Single : A 18 HIS : no HD1:sc= -1.42! K(o=-1.4!,f=-0.009) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 159:sc= 0 (180deg=-0.0177) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0178 (180deg=-0.255) USER MOD Single : A 38 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.0013) USER MOD Single : A 39 GLN : amide:sc= 0.0402 X(o=0.04,f=-0.06) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= -0.0036 (180deg=-0.0902) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.0574 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 56 HIS : no HD1:sc= -0.0685 X(o=-0.068,f=-0.044) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0923) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 61.396 -3.565 9.401 1.00 0.00 N ATOM 34 CA LEU A 3 62.289 -2.935 8.439 1.00 0.00 C ATOM 35 C LEU A 3 63.046 -1.798 9.110 1.00 0.00 C ATOM 36 O LEU A 3 62.512 -1.108 9.980 1.00 0.00 O ATOM 37 CB LEU A 3 61.516 -2.406 7.222 1.00 0.00 C ATOM 38 CG LEU A 3 60.896 -3.470 6.302 1.00 0.00 C ATOM 39 CD1 LEU A 3 59.668 -4.111 6.938 1.00 0.00 C ATOM 40 CD2 LEU A 3 60.536 -2.856 4.958 1.00 0.00 C ATOM 0 HA LEU A 3 62.995 -3.687 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 3 60.719 -1.754 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 3 62.191 -1.789 6.628 1.00 0.00 H new ATOM 0 HG LEU A 3 61.638 -4.254 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 3 59.255 -4.858 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 3 59.951 -4.589 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 3 58.918 -3.345 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 3 60.098 -3.619 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 3 59.817 -2.050 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 3 61.435 -2.458 4.487 1.00 0.00 H new ATOM 52 N HIS A 4 64.294 -1.611 8.714 1.00 0.00 N ATOM 53 CA HIS A 4 65.129 -0.589 9.322 1.00 0.00 C ATOM 54 C HIS A 4 65.197 0.637 8.427 1.00 0.00 C ATOM 55 O HIS A 4 65.156 0.531 7.205 1.00 0.00 O ATOM 56 CB HIS A 4 66.534 -1.129 9.607 1.00 0.00 C ATOM 57 CG HIS A 4 66.539 -2.285 10.561 1.00 0.00 C ATOM 58 ND1 HIS A 4 67.494 -3.275 10.546 1.00 0.00 N ATOM 59 CD2 HIS A 4 65.685 -2.605 11.563 1.00 0.00 C ATOM 60 CE1 HIS A 4 67.224 -4.156 11.490 1.00 0.00 C ATOM 61 NE2 HIS A 4 66.132 -3.773 12.124 1.00 0.00 N ATOM 0 H HIS A 4 64.749 -2.151 7.978 1.00 0.00 H new ATOM 0 HA HIS A 4 64.681 -0.301 10.273 1.00 0.00 H new ATOM 0 HB2 HIS A 4 66.995 -1.438 8.669 1.00 0.00 H new ATOM 0 HB3 HIS A 4 67.149 -0.327 10.015 1.00 0.00 H new ATOM 0 HD2 HIS A 4 64.813 -2.043 11.864 1.00 0.00 H new ATOM 0 HE1 HIS A 4 67.801 -5.043 11.708 1.00 0.00 H new ATOM 0 HE2 HIS A 4 65.693 -4.265 12.903 1.00 0.00 H new ATOM 70 N CYS A 5 65.281 1.798 9.048 1.00 0.00 N ATOM 71 CA CYS A 5 65.269 3.056 8.320 1.00 0.00 C ATOM 72 C CYS A 5 66.648 3.353 7.741 1.00 0.00 C ATOM 73 O CYS A 5 67.656 3.115 8.396 1.00 0.00 O ATOM 74 CB CYS A 5 64.857 4.183 9.260 1.00 0.00 C ATOM 75 SG CYS A 5 63.584 3.715 10.459 1.00 0.00 S ATOM 0 H CYS A 5 65.359 1.898 10.060 1.00 0.00 H new ATOM 0 HA CYS A 5 64.555 2.980 7.500 1.00 0.00 H new ATOM 0 HB2 CYS A 5 65.738 4.533 9.799 1.00 0.00 H new ATOM 0 HB3 CYS A 5 64.492 5.022 8.667 1.00 0.00 H new ATOM 0 HG CYS A 5 62.598 4.561 10.398 1.00 0.00 H new ATOM 80 N PRO A 6 66.706 3.893 6.513 1.00 0.00 N ATOM 81 CA PRO A 6 67.969 4.280 5.871 1.00 0.00 C ATOM 82 C PRO A 6 68.567 5.544 6.489 1.00 0.00 C ATOM 83 O PRO A 6 69.613 6.028 6.058 1.00 0.00 O ATOM 84 CB PRO A 6 67.577 4.538 4.405 1.00 0.00 C ATOM 85 CG PRO A 6 66.172 4.051 4.267 1.00 0.00 C ATOM 86 CD PRO A 6 65.561 4.148 5.633 1.00 0.00 C ATOM 0 HA PRO A 6 68.731 3.510 5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 6 67.649 5.598 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 6 68.243 4.009 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 6 65.619 4.656 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 6 66.150 3.024 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 6 65.122 5.130 5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 6 64.768 3.414 5.776 1.00 0.00 H new ATOM 94 N GLN A 7 67.880 6.084 7.491 1.00 0.00 N ATOM 95 CA GLN A 7 68.333 7.289 8.178 1.00 0.00 C ATOM 96 C GLN A 7 68.274 7.078 9.691 1.00 0.00 C ATOM 97 O GLN A 7 69.291 6.823 10.335 1.00 0.00 O ATOM 98 CB GLN A 7 67.471 8.493 7.778 1.00 0.00 C ATOM 99 CG GLN A 7 67.308 8.655 6.274 1.00 0.00 C ATOM 100 CD GLN A 7 66.397 9.808 5.891 1.00 0.00 C ATOM 101 OE1 GLN A 7 66.546 10.401 4.821 1.00 0.00 O ATOM 102 NE2 GLN A 7 65.456 10.147 6.759 1.00 0.00 N ATOM 0 H GLN A 7 67.003 5.704 7.847 1.00 0.00 H new ATOM 0 HA GLN A 7 69.364 7.491 7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 7 66.486 8.390 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 7 67.917 9.400 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.288 8.810 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 7 66.908 7.731 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 7 65.362 9.634 7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 7 64.826 10.921 6.551 1.00 0.00 H new ATOM 111 N CYS A 8 67.067 7.151 10.244 1.00 0.00 N ATOM 112 CA CYS A 8 66.845 6.927 11.665 1.00 0.00 C ATOM 113 C CYS A 8 66.706 5.433 11.936 1.00 0.00 C ATOM 114 O CYS A 8 65.633 4.948 12.317 1.00 0.00 O ATOM 115 CB CYS A 8 65.591 7.671 12.130 1.00 0.00 C ATOM 116 SG CYS A 8 64.075 7.171 11.272 1.00 0.00 S ATOM 0 H CYS A 8 66.219 7.367 9.720 1.00 0.00 H new ATOM 0 HA CYS A 8 67.700 7.310 12.223 1.00 0.00 H new ATOM 0 HB2 CYS A 8 65.461 7.509 13.200 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.742 8.741 11.986 1.00 0.00 H new ATOM 0 HG CYS A 8 63.361 6.418 12.055 1.00 0.00 H new ATOM 121 N GLN A 9 67.784 4.719 11.658 1.00 0.00 N ATOM 122 CA GLN A 9 67.856 3.266 11.833 1.00 0.00 C ATOM 123 C GLN A 9 67.281 2.812 13.176 1.00 0.00 C ATOM 124 O GLN A 9 67.885 3.028 14.229 1.00 0.00 O ATOM 125 CB GLN A 9 69.304 2.786 11.719 1.00 0.00 C ATOM 126 CG GLN A 9 69.945 3.094 10.378 1.00 0.00 C ATOM 127 CD GLN A 9 71.348 2.535 10.258 1.00 0.00 C ATOM 128 OE1 GLN A 9 72.072 2.420 11.250 1.00 0.00 O ATOM 129 NE2 GLN A 9 71.738 2.174 9.045 1.00 0.00 N ATOM 0 H GLN A 9 68.646 5.130 11.300 1.00 0.00 H new ATOM 0 HA GLN A 9 67.252 2.824 11.041 1.00 0.00 H new ATOM 0 HB2 GLN A 9 69.895 3.250 12.509 1.00 0.00 H new ATOM 0 HB3 GLN A 9 69.335 1.710 11.888 1.00 0.00 H new ATOM 0 HG2 GLN A 9 69.325 2.683 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 9 69.975 4.174 10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 9 71.107 2.287 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 9 72.670 1.783 8.904 1.00 0.00 H new ATOM 138 N HIS A 10 66.102 2.197 13.118 1.00 0.00 N ATOM 139 CA HIS A 10 65.469 1.607 14.292 1.00 0.00 C ATOM 140 C HIS A 10 64.235 0.810 13.871 1.00 0.00 C ATOM 141 O HIS A 10 64.286 -0.412 13.771 1.00 0.00 O ATOM 142 CB HIS A 10 65.082 2.679 15.320 1.00 0.00 C ATOM 143 CG HIS A 10 64.704 2.137 16.673 1.00 0.00 C ATOM 144 ND1 HIS A 10 64.779 0.799 17.008 1.00 0.00 N ATOM 145 CD2 HIS A 10 64.247 2.769 17.783 1.00 0.00 C ATOM 146 CE1 HIS A 10 64.384 0.637 18.255 1.00 0.00 C ATOM 147 NE2 HIS A 10 64.056 1.811 18.751 1.00 0.00 N ATOM 0 H HIS A 10 65.562 2.095 12.259 1.00 0.00 H new ATOM 0 HA HIS A 10 66.189 0.938 14.764 1.00 0.00 H new ATOM 0 HB2 HIS A 10 65.917 3.369 15.439 1.00 0.00 H new ATOM 0 HB3 HIS A 10 64.245 3.256 14.927 1.00 0.00 H new ATOM 0 HD2 HIS A 10 64.067 3.829 17.887 1.00 0.00 H new ATOM 0 HE1 HIS A 10 64.337 -0.304 18.783 1.00 0.00 H new ATOM 0 HE2 HIS A 10 63.716 1.982 19.697 1.00 0.00 H new ATOM 156 N VAL A 11 63.133 1.508 13.599 1.00 0.00 N ATOM 157 CA VAL A 11 61.875 0.840 13.269 1.00 0.00 C ATOM 158 C VAL A 11 61.142 1.541 12.123 1.00 0.00 C ATOM 159 O VAL A 11 61.019 2.770 12.103 1.00 0.00 O ATOM 160 CB VAL A 11 60.930 0.775 14.496 1.00 0.00 C ATOM 161 CG1 VAL A 11 59.598 0.138 14.128 1.00 0.00 C ATOM 162 CG2 VAL A 11 61.577 0.012 15.642 1.00 0.00 C ATOM 0 H VAL A 11 63.085 2.527 13.600 1.00 0.00 H new ATOM 0 HA VAL A 11 62.139 -0.171 12.958 1.00 0.00 H new ATOM 0 HB VAL A 11 60.744 1.798 14.822 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.955 0.105 15.008 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.116 0.727 13.348 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.767 -0.876 13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.893 -0.019 16.490 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.803 -1.005 15.321 1.00 0.00 H new ATOM 0 HG23 VAL A 11 62.499 0.512 15.937 1.00 0.00 H new ATOM 172 N LEU A 12 60.695 0.749 11.157 1.00 0.00 N ATOM 173 CA LEU A 12 59.752 1.207 10.147 1.00 0.00 C ATOM 174 C LEU A 12 58.429 0.483 10.340 1.00 0.00 C ATOM 175 O LEU A 12 58.310 -0.696 10.009 1.00 0.00 O ATOM 176 CB LEU A 12 60.279 0.946 8.732 1.00 0.00 C ATOM 177 CG LEU A 12 61.404 1.869 8.262 1.00 0.00 C ATOM 178 CD1 LEU A 12 61.918 1.425 6.903 1.00 0.00 C ATOM 179 CD2 LEU A 12 60.917 3.308 8.196 1.00 0.00 C ATOM 0 H LEU A 12 60.975 -0.226 11.052 1.00 0.00 H new ATOM 0 HA LEU A 12 59.616 2.282 10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.633 -0.084 8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.447 1.032 8.033 1.00 0.00 H new ATOM 0 HG LEU A 12 62.222 1.811 8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.718 2.091 6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.300 0.407 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.105 1.458 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.730 3.952 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.085 3.379 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.587 3.626 9.185 1.00 0.00 H new ATOM 191 N ASP A 13 57.448 1.178 10.900 1.00 0.00 N ATOM 192 CA ASP A 13 56.157 0.568 11.191 1.00 0.00 C ATOM 193 C ASP A 13 55.148 0.968 10.119 1.00 0.00 C ATOM 194 O ASP A 13 54.820 2.147 9.969 1.00 0.00 O ATOM 195 CB ASP A 13 55.671 0.996 12.581 1.00 0.00 C ATOM 196 CG ASP A 13 54.674 0.023 13.181 1.00 0.00 C ATOM 197 OD1 ASP A 13 53.459 0.183 12.948 1.00 0.00 O ATOM 198 OD2 ASP A 13 55.105 -0.902 13.904 1.00 0.00 O ATOM 0 H ASP A 13 57.521 2.161 11.161 1.00 0.00 H new ATOM 0 HA ASP A 13 56.261 -0.517 11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 13 56.528 1.088 13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 13 55.213 1.983 12.513 1.00 0.00 H new ATOM 203 N GLN A 14 54.684 -0.010 9.358 1.00 0.00 N ATOM 204 CA GLN A 14 53.821 0.258 8.213 1.00 0.00 C ATOM 205 C GLN A 14 52.367 0.430 8.635 1.00 0.00 C ATOM 206 O GLN A 14 51.748 -0.495 9.165 1.00 0.00 O ATOM 207 CB GLN A 14 53.920 -0.863 7.170 1.00 0.00 C ATOM 208 CG GLN A 14 55.273 -0.955 6.474 1.00 0.00 C ATOM 209 CD GLN A 14 56.371 -1.477 7.381 1.00 0.00 C ATOM 210 OE1 GLN A 14 56.124 -2.285 8.277 1.00 0.00 O ATOM 211 NE2 GLN A 14 57.589 -1.013 7.159 1.00 0.00 N ATOM 0 H GLN A 14 54.889 -0.998 9.510 1.00 0.00 H new ATOM 0 HA GLN A 14 54.168 1.191 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 14 53.709 -1.815 7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 14 53.147 -0.712 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 14 55.185 -1.608 5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 14 55.553 0.031 6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 14 57.751 -0.344 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 14 58.367 -1.324 7.741 1.00 0.00 H new ATOM 220 N ASP A 15 51.836 1.622 8.392 1.00 0.00 N ATOM 221 CA ASP A 15 50.418 1.905 8.606 1.00 0.00 C ATOM 222 C ASP A 15 49.589 1.034 7.668 1.00 0.00 C ATOM 223 O ASP A 15 48.785 0.206 8.098 1.00 0.00 O ATOM 224 CB ASP A 15 50.153 3.389 8.327 1.00 0.00 C ATOM 225 CG ASP A 15 48.718 3.815 8.575 1.00 0.00 C ATOM 226 OD1 ASP A 15 47.831 3.428 7.788 1.00 0.00 O ATOM 227 OD2 ASP A 15 48.484 4.584 9.528 1.00 0.00 O ATOM 0 H ASP A 15 52.371 2.417 8.043 1.00 0.00 H new ATOM 0 HA ASP A 15 50.141 1.683 9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 15 50.813 3.990 8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 15 50.412 3.606 7.291 1.00 0.00 H new ATOM 232 N ASN A 16 49.827 1.222 6.381 1.00 0.00 N ATOM 233 CA ASN A 16 49.231 0.396 5.337 1.00 0.00 C ATOM 234 C ASN A 16 50.123 0.466 4.105 1.00 0.00 C ATOM 235 O ASN A 16 50.437 -0.546 3.482 1.00 0.00 O ATOM 236 CB ASN A 16 47.790 0.846 5.014 1.00 0.00 C ATOM 237 CG ASN A 16 47.718 2.201 4.328 1.00 0.00 C ATOM 238 OD1 ASN A 16 47.708 2.288 3.101 1.00 0.00 O ATOM 239 ND2 ASN A 16 47.672 3.268 5.112 1.00 0.00 N ATOM 0 H ASN A 16 50.442 1.955 6.026 1.00 0.00 H new ATOM 0 HA ASN A 16 49.161 -0.635 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 16 47.319 0.099 4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 16 47.214 0.884 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 16 47.626 4.201 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 16 47.682 3.157 6.126 1.00 0.00 H new ATOM 246 N GLY A 17 50.542 1.686 3.793 1.00 0.00 N ATOM 247 CA GLY A 17 51.522 1.924 2.752 1.00 0.00 C ATOM 248 C GLY A 17 52.455 3.042 3.164 1.00 0.00 C ATOM 249 O GLY A 17 53.634 3.051 2.818 1.00 0.00 O ATOM 0 H GLY A 17 50.211 2.533 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 17 52.092 1.014 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 17 51.019 2.184 1.820 1.00 0.00 H new ATOM 253 N HIS A 18 51.906 3.985 3.922 1.00 0.00 N ATOM 254 CA HIS A 18 52.684 5.045 4.538 1.00 0.00 C ATOM 255 C HIS A 18 53.418 4.495 5.759 1.00 0.00 C ATOM 256 O HIS A 18 52.844 3.741 6.547 1.00 0.00 O ATOM 257 CB HIS A 18 51.751 6.197 4.941 1.00 0.00 C ATOM 258 CG HIS A 18 52.401 7.282 5.750 1.00 0.00 C ATOM 259 ND1 HIS A 18 52.091 7.521 7.070 1.00 0.00 N ATOM 260 CD2 HIS A 18 53.333 8.205 5.413 1.00 0.00 C ATOM 261 CE1 HIS A 18 52.803 8.539 7.507 1.00 0.00 C ATOM 262 NE2 HIS A 18 53.566 8.976 6.526 1.00 0.00 N ATOM 0 H HIS A 18 50.907 4.033 4.125 1.00 0.00 H new ATOM 0 HA HIS A 18 53.421 5.423 3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 18 51.332 6.639 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 18 50.917 5.788 5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 18 53.806 8.315 4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 18 52.767 8.948 8.506 1.00 0.00 H new ATOM 0 HE2 HIS A 18 54.220 9.756 6.583 1.00 0.00 H new ATOM 271 N ALA A 19 54.683 4.860 5.910 1.00 0.00 N ATOM 272 CA ALA A 19 55.489 4.359 7.008 1.00 0.00 C ATOM 273 C ALA A 19 55.541 5.354 8.157 1.00 0.00 C ATOM 274 O ALA A 19 55.742 6.553 7.954 1.00 0.00 O ATOM 275 CB ALA A 19 56.895 4.037 6.532 1.00 0.00 C ATOM 0 H ALA A 19 55.171 5.501 5.285 1.00 0.00 H new ATOM 0 HA ALA A 19 55.020 3.445 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 19 57.485 3.663 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 56.850 3.278 5.751 1.00 0.00 H new ATOM 0 HB3 ALA A 19 57.360 4.939 6.135 1.00 0.00 H new ATOM 281 N ARG A 20 55.348 4.851 9.363 1.00 0.00 N ATOM 282 CA ARG A 20 55.470 5.666 10.555 1.00 0.00 C ATOM 283 C ARG A 20 56.618 5.139 11.405 1.00 0.00 C ATOM 284 O ARG A 20 56.613 3.985 11.831 1.00 0.00 O ATOM 285 CB ARG A 20 54.162 5.662 11.349 1.00 0.00 C ATOM 286 CG ARG A 20 54.212 6.507 12.611 1.00 0.00 C ATOM 287 CD ARG A 20 52.839 6.632 13.252 1.00 0.00 C ATOM 288 NE ARG A 20 52.269 5.332 13.607 1.00 0.00 N ATOM 289 CZ ARG A 20 50.962 5.087 13.679 1.00 0.00 C ATOM 290 NH1 ARG A 20 50.082 6.042 13.397 1.00 0.00 N ATOM 291 NH2 ARG A 20 50.542 3.879 14.032 1.00 0.00 N ATOM 0 H ARG A 20 55.105 3.877 9.542 1.00 0.00 H new ATOM 0 HA ARG A 20 55.679 6.696 10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 20 53.358 6.026 10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 20 53.914 4.635 11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 54.907 6.061 13.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.594 7.499 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 20 52.914 7.250 14.147 1.00 0.00 H new ATOM 0 HD3 ARG A 20 52.166 7.146 12.566 1.00 0.00 H new ATOM 0 HE ARG A 20 52.912 4.567 13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 20 50.406 6.970 13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 20 49.082 5.847 13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.218 3.146 14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 49.543 3.683 14.090 1.00 0.00 H new ATOM 305 N CYS A 21 57.615 5.975 11.622 1.00 0.00 N ATOM 306 CA CYS A 21 58.786 5.560 12.367 1.00 0.00 C ATOM 307 C CYS A 21 58.538 5.561 13.863 1.00 0.00 C ATOM 308 O CYS A 21 58.730 6.570 14.543 1.00 0.00 O ATOM 309 CB CYS A 21 59.981 6.435 12.021 1.00 0.00 C ATOM 310 SG CYS A 21 60.797 5.967 10.477 1.00 0.00 S ATOM 0 H CYS A 21 57.637 6.941 11.295 1.00 0.00 H new ATOM 0 HA CYS A 21 59.008 4.533 12.076 1.00 0.00 H new ATOM 0 HB2 CYS A 21 59.653 7.472 11.949 1.00 0.00 H new ATOM 0 HB3 CYS A 21 60.705 6.385 12.834 1.00 0.00 H new ATOM 0 HG CYS A 21 62.038 6.353 10.508 1.00 0.00 H new ATOM 315 N ARG A 22 58.099 4.415 14.353 1.00 0.00 N ATOM 316 CA ARG A 22 57.897 4.195 15.771 1.00 0.00 C ATOM 317 C ARG A 22 59.192 4.454 16.539 1.00 0.00 C ATOM 318 O ARG A 22 60.223 3.836 16.259 1.00 0.00 O ATOM 319 CB ARG A 22 57.418 2.757 15.984 1.00 0.00 C ATOM 320 CG ARG A 22 57.184 2.373 17.432 1.00 0.00 C ATOM 321 CD ARG A 22 56.736 0.925 17.533 1.00 0.00 C ATOM 322 NE ARG A 22 56.632 0.471 18.914 1.00 0.00 N ATOM 323 CZ ARG A 22 56.941 -0.760 19.316 1.00 0.00 C ATOM 324 NH1 ARG A 22 57.336 -1.678 18.438 1.00 0.00 N ATOM 325 NH2 ARG A 22 56.850 -1.072 20.598 1.00 0.00 N ATOM 0 H ARG A 22 57.872 3.607 13.773 1.00 0.00 H new ATOM 0 HA ARG A 22 57.143 4.886 16.148 1.00 0.00 H new ATOM 0 HB2 ARG A 22 56.491 2.612 15.430 1.00 0.00 H new ATOM 0 HB3 ARG A 22 58.154 2.076 15.557 1.00 0.00 H new ATOM 0 HG2 ARG A 22 58.100 2.517 18.005 1.00 0.00 H new ATOM 0 HG3 ARG A 22 56.428 3.025 17.870 1.00 0.00 H new ATOM 0 HD2 ARG A 22 55.769 0.811 17.042 1.00 0.00 H new ATOM 0 HD3 ARG A 22 57.442 0.291 16.997 1.00 0.00 H new ATOM 0 HE ARG A 22 56.303 1.136 19.614 1.00 0.00 H new ATOM 0 HH11 ARG A 22 57.404 -1.441 17.448 1.00 0.00 H new ATOM 0 HH12 ARG A 22 57.571 -2.619 18.755 1.00 0.00 H new ATOM 0 HH21 ARG A 22 56.544 -0.371 21.273 1.00 0.00 H new ATOM 0 HH22 ARG A 22 57.085 -2.014 20.912 1.00 0.00 H new ATOM 339 N SER A 23 59.133 5.417 17.457 1.00 0.00 N ATOM 340 CA SER A 23 60.250 5.768 18.341 1.00 0.00 C ATOM 341 C SER A 23 61.348 6.567 17.621 1.00 0.00 C ATOM 342 O SER A 23 61.923 7.482 18.207 1.00 0.00 O ATOM 343 CB SER A 23 60.848 4.522 19.013 1.00 0.00 C ATOM 344 OG SER A 23 61.877 4.876 19.925 1.00 0.00 O ATOM 0 H SER A 23 58.299 5.984 17.612 1.00 0.00 H new ATOM 0 HA SER A 23 59.833 6.414 19.113 1.00 0.00 H new ATOM 0 HB2 SER A 23 60.064 3.977 19.539 1.00 0.00 H new ATOM 0 HB3 SER A 23 61.247 3.851 18.252 1.00 0.00 H new ATOM 0 HG SER A 23 62.239 4.066 20.340 1.00 0.00 H new ATOM 350 N CYS A 24 61.648 6.233 16.367 1.00 0.00 N ATOM 351 CA CYS A 24 62.714 6.929 15.650 1.00 0.00 C ATOM 352 C CYS A 24 62.201 8.189 14.945 1.00 0.00 C ATOM 353 O CYS A 24 62.964 8.890 14.280 1.00 0.00 O ATOM 354 CB CYS A 24 63.435 5.990 14.674 1.00 0.00 C ATOM 355 SG CYS A 24 62.360 5.036 13.574 1.00 0.00 S ATOM 0 H CYS A 24 61.179 5.500 15.835 1.00 0.00 H new ATOM 0 HA CYS A 24 63.443 7.255 16.392 1.00 0.00 H new ATOM 0 HB2 CYS A 24 64.117 6.582 14.064 1.00 0.00 H new ATOM 0 HB3 CYS A 24 64.045 5.295 15.250 1.00 0.00 H new ATOM 0 HG CYS A 24 63.049 4.609 12.557 1.00 0.00 H new ATOM 360 N GLY A 25 60.906 8.458 15.074 1.00 0.00 N ATOM 361 CA GLY A 25 60.375 9.769 14.729 1.00 0.00 C ATOM 362 C GLY A 25 60.072 9.980 13.253 1.00 0.00 C ATOM 363 O GLY A 25 58.906 10.095 12.882 1.00 0.00 O ATOM 0 H GLY A 25 60.211 7.792 15.412 1.00 0.00 H new ATOM 0 HA2 GLY A 25 59.460 9.933 15.298 1.00 0.00 H new ATOM 0 HA3 GLY A 25 61.089 10.528 15.048 1.00 0.00 H new ATOM 367 N GLU A 26 61.123 10.024 12.428 1.00 0.00 N ATOM 368 CA GLU A 26 61.023 10.458 11.023 1.00 0.00 C ATOM 369 C GLU A 26 59.813 9.876 10.302 1.00 0.00 C ATOM 370 O GLU A 26 59.696 8.666 10.133 1.00 0.00 O ATOM 371 CB GLU A 26 62.286 10.086 10.246 1.00 0.00 C ATOM 372 CG GLU A 26 63.569 10.660 10.820 1.00 0.00 C ATOM 373 CD GLU A 26 64.770 10.427 9.922 1.00 0.00 C ATOM 374 OE1 GLU A 26 64.881 9.324 9.338 1.00 0.00 O ATOM 375 OE2 GLU A 26 65.616 11.339 9.807 1.00 0.00 O ATOM 0 H GLU A 26 62.067 9.761 12.711 1.00 0.00 H new ATOM 0 HA GLU A 26 60.905 11.541 11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 26 62.371 9.000 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 26 62.178 10.428 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 26 63.443 11.731 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 26 63.758 10.212 11.795 1.00 0.00 H new ATOM 382 N PHE A 27 58.918 10.748 9.871 1.00 0.00 N ATOM 383 CA PHE A 27 57.764 10.337 9.091 1.00 0.00 C ATOM 384 C PHE A 27 58.166 10.181 7.628 1.00 0.00 C ATOM 385 O PHE A 27 58.719 11.105 7.023 1.00 0.00 O ATOM 386 CB PHE A 27 56.614 11.345 9.246 1.00 0.00 C ATOM 387 CG PHE A 27 56.983 12.768 8.913 1.00 0.00 C ATOM 388 CD1 PHE A 27 57.648 13.560 9.837 1.00 0.00 C ATOM 389 CD2 PHE A 27 56.663 13.311 7.679 1.00 0.00 C ATOM 390 CE1 PHE A 27 57.988 14.864 9.535 1.00 0.00 C ATOM 391 CE2 PHE A 27 57.001 14.615 7.371 1.00 0.00 C ATOM 392 CZ PHE A 27 57.665 15.392 8.299 1.00 0.00 C ATOM 0 H PHE A 27 58.969 11.751 10.050 1.00 0.00 H new ATOM 0 HA PHE A 27 57.408 9.375 9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.788 11.037 8.604 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.251 11.308 10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 27 57.903 13.152 10.804 1.00 0.00 H new ATOM 0 HD2 PHE A 27 56.143 12.708 6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 27 58.506 15.470 10.264 1.00 0.00 H new ATOM 0 HE2 PHE A 27 56.746 15.026 6.405 1.00 0.00 H new ATOM 0 HZ PHE A 27 57.932 16.411 8.060 1.00 0.00 H new ATOM 402 N ILE A 28 57.915 9.009 7.069 1.00 0.00 N ATOM 403 CA ILE A 28 58.353 8.707 5.716 1.00 0.00 C ATOM 404 C ILE A 28 57.181 8.284 4.840 1.00 0.00 C ATOM 405 O ILE A 28 56.477 7.317 5.142 1.00 0.00 O ATOM 406 CB ILE A 28 59.426 7.593 5.706 1.00 0.00 C ATOM 407 CG1 ILE A 28 60.630 8.000 6.562 1.00 0.00 C ATOM 408 CG2 ILE A 28 59.868 7.286 4.279 1.00 0.00 C ATOM 409 CD1 ILE A 28 61.690 6.921 6.676 1.00 0.00 C ATOM 0 H ILE A 28 57.411 8.252 7.530 1.00 0.00 H new ATOM 0 HA ILE A 28 58.789 9.621 5.312 1.00 0.00 H new ATOM 0 HB ILE A 28 58.987 6.691 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 61.081 8.896 6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 28 60.282 8.262 7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 28 60.623 6.500 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 28 59.009 6.954 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 28 60.288 8.184 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 28 62.511 7.281 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 28 61.255 6.031 7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 28 62.067 6.675 5.683 1.00 0.00 H new ATOM 421 N GLU A 29 56.966 9.022 3.765 1.00 0.00 N ATOM 422 CA GLU A 29 55.957 8.660 2.792 1.00 0.00 C ATOM 423 C GLU A 29 56.539 7.629 1.832 1.00 0.00 C ATOM 424 O GLU A 29 57.721 7.694 1.487 1.00 0.00 O ATOM 425 CB GLU A 29 55.486 9.900 2.029 1.00 0.00 C ATOM 426 CG GLU A 29 54.292 9.643 1.128 1.00 0.00 C ATOM 427 CD GLU A 29 53.086 9.153 1.898 1.00 0.00 C ATOM 428 OE1 GLU A 29 52.971 7.931 2.118 1.00 0.00 O ATOM 429 OE2 GLU A 29 52.248 9.992 2.294 1.00 0.00 O ATOM 0 H GLU A 29 57.479 9.876 3.546 1.00 0.00 H new ATOM 0 HA GLU A 29 55.095 8.231 3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 29 55.229 10.681 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 29 56.311 10.280 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 29 54.034 10.561 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 29 54.562 8.905 0.372 1.00 0.00 H new ATOM 436 N MET A 30 55.725 6.674 1.412 1.00 0.00 N ATOM 437 CA MET A 30 56.208 5.609 0.545 1.00 0.00 C ATOM 438 C MET A 30 55.277 5.392 -0.637 1.00 0.00 C ATOM 439 O MET A 30 54.053 5.489 -0.517 1.00 0.00 O ATOM 440 CB MET A 30 56.388 4.304 1.325 1.00 0.00 C ATOM 441 CG MET A 30 57.577 4.324 2.271 1.00 0.00 C ATOM 442 SD MET A 30 57.842 2.746 3.102 1.00 0.00 S ATOM 443 CE MET A 30 59.340 3.101 4.017 1.00 0.00 C ATOM 0 H MET A 30 54.736 6.613 1.654 1.00 0.00 H new ATOM 0 HA MET A 30 57.180 5.919 0.160 1.00 0.00 H new ATOM 0 HB2 MET A 30 55.482 4.103 1.897 1.00 0.00 H new ATOM 0 HB3 MET A 30 56.508 3.482 0.620 1.00 0.00 H new ATOM 0 HG2 MET A 30 58.474 4.589 1.712 1.00 0.00 H new ATOM 0 HG3 MET A 30 57.426 5.102 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 30 59.435 2.399 4.846 1.00 0.00 H new ATOM 0 HE2 MET A 30 60.202 3.002 3.357 1.00 0.00 H new ATOM 0 HE3 MET A 30 59.296 4.118 4.406 1.00 0.00 H new ATOM 453 N LYS A 31 55.873 5.116 -1.785 1.00 0.00 N ATOM 454 CA LYS A 31 55.119 4.859 -2.999 1.00 0.00 C ATOM 455 C LYS A 31 54.950 3.366 -3.207 1.00 0.00 C ATOM 456 O LYS A 31 55.930 2.623 -3.249 1.00 0.00 O ATOM 457 CB LYS A 31 55.819 5.475 -4.211 1.00 0.00 C ATOM 458 CG LYS A 31 55.705 6.987 -4.279 1.00 0.00 C ATOM 459 CD LYS A 31 54.271 7.416 -4.536 1.00 0.00 C ATOM 460 CE LYS A 31 54.133 8.928 -4.561 1.00 0.00 C ATOM 461 NZ LYS A 31 54.483 9.539 -3.254 1.00 0.00 N ATOM 0 H LYS A 31 56.885 5.064 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 31 54.136 5.318 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 31 56.873 5.200 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 31 55.397 5.047 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.057 7.424 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 31 56.349 7.368 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 31 53.933 7.004 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 31 53.624 7.004 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.778 9.338 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 31 53.109 9.195 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 54.155 10.526 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 54.025 9.006 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 55.515 9.514 -3.124 1.00 0.00 H new ATOM 475 N ALA A 32 53.706 2.933 -3.317 1.00 0.00 N ATOM 476 CA ALA A 32 53.402 1.538 -3.576 1.00 0.00 C ATOM 477 C ALA A 32 53.578 1.229 -5.056 1.00 0.00 C ATOM 478 O ALA A 32 52.674 1.465 -5.861 1.00 0.00 O ATOM 479 CB ALA A 32 51.988 1.209 -3.122 1.00 0.00 C ATOM 0 H ALA A 32 52.886 3.533 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 32 54.095 0.917 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.776 0.159 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.896 1.399 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.277 1.833 -3.664 1.00 0.00 H new ATOM 485 N LEU A 33 54.752 0.737 -5.413 1.00 0.00 N ATOM 486 CA LEU A 33 55.057 0.433 -6.800 1.00 0.00 C ATOM 487 C LEU A 33 54.889 -1.052 -7.083 1.00 0.00 C ATOM 488 O LEU A 33 55.150 -1.896 -6.223 1.00 0.00 O ATOM 489 CB LEU A 33 56.492 0.843 -7.144 1.00 0.00 C ATOM 490 CG LEU A 33 56.840 2.318 -6.930 1.00 0.00 C ATOM 491 CD1 LEU A 33 58.269 2.589 -7.367 1.00 0.00 C ATOM 492 CD2 LEU A 33 55.878 3.220 -7.685 1.00 0.00 C ATOM 0 H LEU A 33 55.510 0.539 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 33 54.359 0.999 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 33 57.174 0.239 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.679 0.594 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 33 56.747 2.539 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 33 58.504 3.642 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.952 1.973 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 33 58.378 2.347 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 33 56.148 4.262 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.933 2.999 -8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.862 3.046 -7.331 1.00 0.00 H new ATOM 504 N CYS A 34 54.443 -1.364 -8.288 1.00 0.00 N ATOM 505 CA CYS A 34 54.423 -2.737 -8.756 1.00 0.00 C ATOM 506 C CYS A 34 55.821 -3.092 -9.243 1.00 0.00 C ATOM 507 O CYS A 34 56.302 -2.512 -10.215 1.00 0.00 O ATOM 508 CB CYS A 34 53.397 -2.901 -9.885 1.00 0.00 C ATOM 509 SG CYS A 34 53.102 -4.615 -10.400 1.00 0.00 S ATOM 0 H CYS A 34 54.090 -0.683 -8.960 1.00 0.00 H new ATOM 0 HA CYS A 34 54.132 -3.407 -7.947 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.451 -2.465 -9.564 1.00 0.00 H new ATOM 0 HB3 CYS A 34 53.734 -2.329 -10.750 1.00 0.00 H new ATOM 0 HG CYS A 34 53.481 -4.769 -11.634 1.00 0.00 H new ATOM 514 N PRO A 35 56.488 -4.047 -8.584 1.00 0.00 N ATOM 515 CA PRO A 35 57.906 -4.347 -8.834 1.00 0.00 C ATOM 516 C PRO A 35 58.165 -4.781 -10.273 1.00 0.00 C ATOM 517 O PRO A 35 59.239 -4.551 -10.827 1.00 0.00 O ATOM 518 CB PRO A 35 58.217 -5.492 -7.860 1.00 0.00 C ATOM 519 CG PRO A 35 56.892 -6.065 -7.489 1.00 0.00 C ATOM 520 CD PRO A 35 55.912 -4.929 -7.557 1.00 0.00 C ATOM 0 HA PRO A 35 58.535 -3.469 -8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 35 58.853 -6.244 -8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 35 58.748 -5.127 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 35 56.609 -6.865 -8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 35 56.920 -6.496 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 35 54.916 -5.273 -7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 35 55.818 -4.421 -6.597 1.00 0.00 H new ATOM 528 N ASP A 36 57.157 -5.382 -10.876 1.00 0.00 N ATOM 529 CA ASP A 36 57.257 -5.894 -12.234 1.00 0.00 C ATOM 530 C ASP A 36 56.854 -4.840 -13.270 1.00 0.00 C ATOM 531 O ASP A 36 56.854 -5.114 -14.469 1.00 0.00 O ATOM 532 CB ASP A 36 56.377 -7.138 -12.378 1.00 0.00 C ATOM 533 CG ASP A 36 54.995 -6.926 -11.796 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.224 -6.117 -12.354 1.00 0.00 O ATOM 535 OD2 ASP A 36 54.673 -7.545 -10.767 1.00 0.00 O ATOM 0 H ASP A 36 56.246 -5.530 -10.441 1.00 0.00 H new ATOM 0 HA ASP A 36 58.299 -6.155 -12.421 1.00 0.00 H new ATOM 0 HB2 ASP A 36 56.290 -7.400 -13.432 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.855 -7.980 -11.878 1.00 0.00 H new ATOM 540 N CYS A 37 56.519 -3.637 -12.806 1.00 0.00 N ATOM 541 CA CYS A 37 56.101 -2.561 -13.710 1.00 0.00 C ATOM 542 C CYS A 37 56.874 -1.271 -13.451 1.00 0.00 C ATOM 543 O CYS A 37 57.020 -0.444 -14.350 1.00 0.00 O ATOM 544 CB CYS A 37 54.605 -2.271 -13.548 1.00 0.00 C ATOM 545 SG CYS A 37 53.518 -3.684 -13.838 1.00 0.00 S ATOM 0 H CYS A 37 56.528 -3.382 -11.818 1.00 0.00 H new ATOM 0 HA CYS A 37 56.311 -2.903 -14.724 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.430 -1.898 -12.539 1.00 0.00 H new ATOM 0 HB3 CYS A 37 54.329 -1.472 -14.236 1.00 0.00 H new ATOM 0 HG CYS A 37 54.090 -4.768 -13.405 1.00 0.00 H new ATOM 550 N HIS A 38 57.325 -1.091 -12.206 1.00 0.00 N ATOM 551 CA HIS A 38 57.984 0.146 -11.764 1.00 0.00 C ATOM 552 C HIS A 38 56.961 1.289 -11.720 1.00 0.00 C ATOM 553 O HIS A 38 57.303 2.452 -11.506 1.00 0.00 O ATOM 554 CB HIS A 38 59.167 0.497 -12.681 1.00 0.00 C ATOM 555 CG HIS A 38 60.165 1.440 -12.075 1.00 0.00 C ATOM 556 ND1 HIS A 38 61.251 1.011 -11.345 1.00 0.00 N ATOM 557 CD2 HIS A 38 60.248 2.792 -12.105 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.958 2.053 -10.955 1.00 0.00 C ATOM 559 NE2 HIS A 38 61.372 3.145 -11.404 1.00 0.00 N ATOM 0 H HIS A 38 57.245 -1.797 -11.475 1.00 0.00 H new ATOM 0 HA HIS A 38 58.383 -0.006 -10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.679 -0.424 -12.961 1.00 0.00 H new ATOM 0 HB3 HIS A 38 58.780 0.938 -13.599 1.00 0.00 H new ATOM 0 HD2 HIS A 38 59.558 3.466 -12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 38 62.864 2.018 -10.367 1.00 0.00 H new ATOM 0 HE2 HIS A 38 61.702 4.099 -11.254 1.00 0.00 H new ATOM 568 N GLN A 39 55.696 0.931 -11.905 1.00 0.00 N ATOM 569 CA GLN A 39 54.599 1.888 -11.903 1.00 0.00 C ATOM 570 C GLN A 39 53.793 1.729 -10.617 1.00 0.00 C ATOM 571 O GLN A 39 53.637 0.605 -10.126 1.00 0.00 O ATOM 572 CB GLN A 39 53.695 1.640 -13.117 1.00 0.00 C ATOM 573 CG GLN A 39 52.643 2.717 -13.346 1.00 0.00 C ATOM 574 CD GLN A 39 51.574 2.286 -14.332 1.00 0.00 C ATOM 575 OE1 GLN A 39 51.710 2.465 -15.542 1.00 0.00 O ATOM 576 NE2 GLN A 39 50.491 1.724 -13.815 1.00 0.00 N ATOM 0 H GLN A 39 55.403 -0.033 -12.061 1.00 0.00 H new ATOM 0 HA GLN A 39 54.998 2.901 -11.958 1.00 0.00 H new ATOM 0 HB2 GLN A 39 54.317 1.561 -14.008 1.00 0.00 H new ATOM 0 HB3 GLN A 39 53.194 0.680 -12.992 1.00 0.00 H new ATOM 0 HG2 GLN A 39 52.174 2.970 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 39 53.128 3.621 -13.713 1.00 0.00 H new ATOM 0 HE21 GLN A 39 50.416 1.593 -12.806 1.00 0.00 H new ATOM 0 HE22 GLN A 39 49.732 1.422 -14.426 1.00 0.00 H new ATOM 585 N PRO A 40 53.296 2.838 -10.042 1.00 0.00 N ATOM 586 CA PRO A 40 52.459 2.798 -8.836 1.00 0.00 C ATOM 587 C PRO A 40 51.210 1.937 -9.013 1.00 0.00 C ATOM 588 O PRO A 40 50.707 1.761 -10.128 1.00 0.00 O ATOM 589 CB PRO A 40 52.065 4.262 -8.616 1.00 0.00 C ATOM 590 CG PRO A 40 53.113 5.050 -9.322 1.00 0.00 C ATOM 591 CD PRO A 40 53.526 4.220 -10.502 1.00 0.00 C ATOM 0 HA PRO A 40 52.994 2.354 -7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.074 4.470 -9.021 1.00 0.00 H new ATOM 0 HB3 PRO A 40 52.034 4.508 -7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.726 6.017 -9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.961 5.247 -8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.932 4.454 -11.386 1.00 0.00 H new ATOM 0 HD3 PRO A 40 54.570 4.388 -10.766 1.00 0.00 H new ATOM 599 N LEU A 41 50.724 1.396 -7.907 1.00 0.00 N ATOM 600 CA LEU A 41 49.526 0.571 -7.912 1.00 0.00 C ATOM 601 C LEU A 41 48.285 1.425 -7.700 1.00 0.00 C ATOM 602 O LEU A 41 48.344 2.470 -7.050 1.00 0.00 O ATOM 603 CB LEU A 41 49.611 -0.490 -6.813 1.00 0.00 C ATOM 604 CG LEU A 41 50.684 -1.556 -7.022 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.798 -2.446 -5.794 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.363 -2.386 -8.255 1.00 0.00 C ATOM 0 H LEU A 41 51.146 1.515 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 41 49.455 0.081 -8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 41 49.797 0.009 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.642 -0.983 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 41 51.643 -1.061 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.567 -3.200 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 41 51.066 -1.840 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.842 -2.937 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.134 -3.143 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.396 -2.873 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.328 -1.738 -9.131 1.00 0.00 H new ATOM 618 N GLN A 42 47.166 0.980 -8.253 1.00 0.00 N ATOM 619 CA GLN A 42 45.901 1.660 -8.052 1.00 0.00 C ATOM 620 C GLN A 42 45.291 1.237 -6.726 1.00 0.00 C ATOM 621 O GLN A 42 44.963 0.065 -6.529 1.00 0.00 O ATOM 622 CB GLN A 42 44.924 1.354 -9.191 1.00 0.00 C ATOM 623 CG GLN A 42 43.525 1.907 -8.944 1.00 0.00 C ATOM 624 CD GLN A 42 42.532 1.516 -10.020 1.00 0.00 C ATOM 625 OE1 GLN A 42 42.665 0.472 -10.658 1.00 0.00 O ATOM 626 NE2 GLN A 42 41.514 2.340 -10.211 1.00 0.00 N ATOM 0 H GLN A 42 47.111 0.151 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 42 46.090 2.733 -8.041 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.315 1.772 -10.119 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.862 0.274 -9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 42 43.165 1.550 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 42 43.576 2.994 -8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 42 41.440 3.196 -9.661 1.00 0.00 H new ATOM 0 HE22 GLN A 42 40.803 2.119 -10.908 1.00 0.00 H new ATOM 635 N VAL A 43 45.163 2.185 -5.814 1.00 0.00 N ATOM 636 CA VAL A 43 44.531 1.921 -4.536 1.00 0.00 C ATOM 637 C VAL A 43 43.020 1.814 -4.714 1.00 0.00 C ATOM 638 O VAL A 43 42.345 2.800 -5.020 1.00 0.00 O ATOM 639 CB VAL A 43 44.854 3.018 -3.500 1.00 0.00 C ATOM 640 CG1 VAL A 43 44.215 2.698 -2.156 1.00 0.00 C ATOM 641 CG2 VAL A 43 46.360 3.185 -3.351 1.00 0.00 C ATOM 0 H VAL A 43 45.489 3.144 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 43 44.927 0.977 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 43 44.437 3.959 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 43 44.456 3.485 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 43 43.133 2.634 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 43 44.597 1.745 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.569 3.963 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 43 46.799 2.244 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 43 46.792 3.468 -4.311 1.00 0.00 H new ATOM 651 N LEU A 44 42.502 0.607 -4.555 1.00 0.00 N ATOM 652 CA LEU A 44 41.072 0.376 -4.649 1.00 0.00 C ATOM 653 C LEU A 44 40.406 0.785 -3.346 1.00 0.00 C ATOM 654 O LEU A 44 40.490 0.078 -2.343 1.00 0.00 O ATOM 655 CB LEU A 44 40.776 -1.092 -4.967 1.00 0.00 C ATOM 656 CG LEU A 44 41.336 -1.592 -6.301 1.00 0.00 C ATOM 657 CD1 LEU A 44 40.974 -3.054 -6.515 1.00 0.00 C ATOM 658 CD2 LEU A 44 40.818 -0.741 -7.452 1.00 0.00 C ATOM 0 H LEU A 44 43.053 -0.229 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 44 40.670 0.980 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.181 -1.710 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.696 -1.237 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 44 42.422 -1.505 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.380 -3.394 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.393 -3.655 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.889 -3.163 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.227 -1.112 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 44 39.730 -0.795 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.126 0.294 -7.306 1.00 0.00 H new ATOM 670 N LYS A 45 39.774 1.946 -3.368 1.00 0.00 N ATOM 671 CA LYS A 45 39.160 2.513 -2.179 1.00 0.00 C ATOM 672 C LYS A 45 37.647 2.319 -2.221 1.00 0.00 C ATOM 673 O LYS A 45 36.959 2.911 -3.054 1.00 0.00 O ATOM 674 CB LYS A 45 39.513 4.002 -2.092 1.00 0.00 C ATOM 675 CG LYS A 45 39.088 4.684 -0.800 1.00 0.00 C ATOM 676 CD LYS A 45 39.529 6.141 -0.788 1.00 0.00 C ATOM 677 CE LYS A 45 39.169 6.843 0.513 1.00 0.00 C ATOM 678 NZ LYS A 45 37.702 6.867 0.754 1.00 0.00 N ATOM 0 H LYS A 45 39.672 2.520 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 45 39.540 2.003 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 45 40.591 4.113 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 45 39.048 4.521 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 45 38.005 4.626 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 45 39.522 4.161 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 45 40.607 6.193 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 45 39.064 6.666 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 45 39.663 6.339 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 45 39.548 7.865 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 37.494 7.483 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 37.217 7.232 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 37.367 5.903 0.956 1.00 0.00 H new ATOM 692 N ALA A 46 37.143 1.460 -1.348 1.00 0.00 N ATOM 693 CA ALA A 46 35.712 1.205 -1.254 1.00 0.00 C ATOM 694 C ALA A 46 35.193 1.575 0.132 1.00 0.00 C ATOM 695 O ALA A 46 35.884 2.257 0.890 1.00 0.00 O ATOM 696 CB ALA A 46 35.418 -0.255 -1.567 1.00 0.00 C ATOM 0 H ALA A 46 37.708 0.924 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 46 35.197 1.827 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.345 -0.434 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 46 35.756 -0.486 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 46 35.942 -0.892 -0.855 1.00 0.00 H new ATOM 702 N CYS A 47 33.986 1.121 0.458 1.00 0.00 N ATOM 703 CA CYS A 47 33.355 1.436 1.740 1.00 0.00 C ATOM 704 C CYS A 47 34.231 0.988 2.905 1.00 0.00 C ATOM 705 O CYS A 47 34.565 1.778 3.790 1.00 0.00 O ATOM 706 CB CYS A 47 31.989 0.757 1.832 1.00 0.00 C ATOM 707 SG CYS A 47 30.948 1.000 0.377 1.00 0.00 S ATOM 0 H CYS A 47 33.421 0.530 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 47 33.228 2.517 1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 47 32.136 -0.312 1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.464 1.137 2.709 1.00 0.00 H new ATOM 0 HG CYS A 47 29.814 0.387 0.547 1.00 0.00 H new ATOM 713 N GLY A 48 34.600 -0.283 2.894 1.00 0.00 N ATOM 714 CA GLY A 48 35.454 -0.820 3.930 1.00 0.00 C ATOM 715 C GLY A 48 36.508 -1.736 3.355 1.00 0.00 C ATOM 716 O GLY A 48 37.021 -2.622 4.036 1.00 0.00 O ATOM 0 H GLY A 48 34.321 -0.956 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 48 35.934 -0.003 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 48 34.850 -1.367 4.654 1.00 0.00 H new ATOM 720 N ALA A 49 36.825 -1.520 2.089 1.00 0.00 N ATOM 721 CA ALA A 49 37.789 -2.348 1.391 1.00 0.00 C ATOM 722 C ALA A 49 38.869 -1.491 0.750 1.00 0.00 C ATOM 723 O ALA A 49 38.571 -0.511 0.066 1.00 0.00 O ATOM 724 CB ALA A 49 37.091 -3.196 0.337 1.00 0.00 C ATOM 0 H ALA A 49 36.425 -0.772 1.522 1.00 0.00 H new ATOM 0 HA ALA A 49 38.262 -3.010 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 49 37.827 -3.813 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 49 36.352 -3.838 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 49 36.594 -2.546 -0.382 1.00 0.00 H new ATOM 730 N VAL A 50 40.116 -1.852 1.004 1.00 0.00 N ATOM 731 CA VAL A 50 41.258 -1.196 0.383 1.00 0.00 C ATOM 732 C VAL A 50 42.142 -2.252 -0.262 1.00 0.00 C ATOM 733 O VAL A 50 42.569 -3.197 0.407 1.00 0.00 O ATOM 734 CB VAL A 50 42.089 -0.387 1.408 1.00 0.00 C ATOM 735 CG1 VAL A 50 43.267 0.300 0.731 1.00 0.00 C ATOM 736 CG2 VAL A 50 41.219 0.637 2.125 1.00 0.00 C ATOM 0 H VAL A 50 40.366 -2.606 1.644 1.00 0.00 H new ATOM 0 HA VAL A 50 40.883 -0.497 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 50 42.478 -1.086 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 50 43.835 0.862 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.911 -0.450 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 50 42.899 0.981 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 50 41.826 1.193 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 50 40.794 1.327 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 50 40.414 0.125 2.653 1.00 0.00 H new ATOM 746 N ASP A 51 42.393 -2.123 -1.556 1.00 0.00 N ATOM 747 CA ASP A 51 43.167 -3.128 -2.271 1.00 0.00 C ATOM 748 C ASP A 51 44.165 -2.476 -3.225 1.00 0.00 C ATOM 749 O ASP A 51 44.196 -1.251 -3.358 1.00 0.00 O ATOM 750 CB ASP A 51 42.237 -4.062 -3.043 1.00 0.00 C ATOM 751 CG ASP A 51 42.742 -5.487 -3.050 1.00 0.00 C ATOM 752 OD1 ASP A 51 43.796 -5.748 -3.655 1.00 0.00 O ATOM 753 OD2 ASP A 51 42.084 -6.354 -2.431 1.00 0.00 O ATOM 0 H ASP A 51 42.076 -1.341 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 51 43.726 -3.709 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.242 -4.032 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.138 -3.708 -4.069 1.00 0.00 H new ATOM 758 N TYR A 52 44.963 -3.299 -3.894 1.00 0.00 N ATOM 759 CA TYR A 52 46.025 -2.812 -4.766 1.00 0.00 C ATOM 760 C TYR A 52 45.918 -3.451 -6.147 1.00 0.00 C ATOM 761 O TYR A 52 46.209 -4.638 -6.316 1.00 0.00 O ATOM 762 CB TYR A 52 47.397 -3.123 -4.159 1.00 0.00 C ATOM 763 CG TYR A 52 47.580 -2.603 -2.748 1.00 0.00 C ATOM 764 CD1 TYR A 52 47.998 -1.299 -2.515 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.330 -3.418 -1.650 1.00 0.00 C ATOM 766 CE1 TYR A 52 48.166 -0.824 -1.227 1.00 0.00 C ATOM 767 CE2 TYR A 52 47.495 -2.949 -0.361 1.00 0.00 C ATOM 768 CZ TYR A 52 47.911 -1.652 -0.153 1.00 0.00 C ATOM 769 OH TYR A 52 48.073 -1.184 1.132 1.00 0.00 O ATOM 0 H TYR A 52 44.894 -4.316 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 52 45.916 -1.732 -4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.546 -4.203 -4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.170 -2.694 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 52 48.195 -0.646 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 52 47.001 -4.435 -1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 52 48.496 0.191 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 52 47.299 -3.597 0.481 1.00 0.00 H new ATOM 0 HH TYR A 52 47.851 -1.894 1.769 1.00 0.00 H new ATOM 779 N PHE A 53 45.499 -2.668 -7.129 1.00 0.00 N ATOM 780 CA PHE A 53 45.306 -3.175 -8.479 1.00 0.00 C ATOM 781 C PHE A 53 46.446 -2.736 -9.397 1.00 0.00 C ATOM 782 O PHE A 53 46.864 -1.576 -9.380 1.00 0.00 O ATOM 783 CB PHE A 53 43.963 -2.692 -9.035 1.00 0.00 C ATOM 784 CG PHE A 53 43.594 -3.312 -10.353 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.061 -4.590 -10.405 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.780 -2.619 -11.537 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.723 -5.165 -11.615 1.00 0.00 C ATOM 788 CE2 PHE A 53 43.445 -3.188 -12.749 1.00 0.00 C ATOM 789 CZ PHE A 53 42.915 -4.463 -12.788 1.00 0.00 C ATOM 0 H PHE A 53 45.286 -1.677 -7.016 1.00 0.00 H new ATOM 0 HA PHE A 53 45.304 -4.264 -8.438 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.180 -2.911 -8.309 1.00 0.00 H new ATOM 0 HB3 PHE A 53 43.997 -1.609 -9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 53 42.908 -5.143 -9.490 1.00 0.00 H new ATOM 0 HD2 PHE A 53 44.192 -1.621 -11.512 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.309 -6.162 -11.643 1.00 0.00 H new ATOM 0 HE2 PHE A 53 43.597 -2.637 -13.665 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.651 -4.910 -13.735 1.00 0.00 H new ATOM 799 N CYS A 54 46.951 -3.666 -10.197 1.00 0.00 N ATOM 800 CA CYS A 54 48.021 -3.368 -11.134 1.00 0.00 C ATOM 801 C CYS A 54 47.461 -3.002 -12.504 1.00 0.00 C ATOM 802 O CYS A 54 47.160 -3.886 -13.317 1.00 0.00 O ATOM 803 CB CYS A 54 48.969 -4.566 -11.258 1.00 0.00 C ATOM 804 SG CYS A 54 50.258 -4.381 -12.522 1.00 0.00 S ATOM 0 H CYS A 54 46.634 -4.635 -10.214 1.00 0.00 H new ATOM 0 HA CYS A 54 48.577 -2.512 -10.750 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.446 -4.736 -10.293 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.381 -5.456 -11.484 1.00 0.00 H new ATOM 0 HG CYS A 54 51.428 -4.414 -11.957 1.00 0.00 H new ATOM 809 N GLN A 55 47.297 -1.707 -12.748 1.00 0.00 N ATOM 810 CA GLN A 55 46.878 -1.231 -14.059 1.00 0.00 C ATOM 811 C GLN A 55 48.004 -1.416 -15.058 1.00 0.00 C ATOM 812 O GLN A 55 48.900 -0.580 -15.164 1.00 0.00 O ATOM 813 CB GLN A 55 46.457 0.233 -14.016 1.00 0.00 C ATOM 814 CG GLN A 55 45.183 0.473 -13.234 1.00 0.00 C ATOM 815 CD GLN A 55 44.815 1.942 -13.169 1.00 0.00 C ATOM 816 OE1 GLN A 55 45.685 2.813 -13.201 1.00 0.00 O ATOM 817 NE2 GLN A 55 43.527 2.227 -13.079 1.00 0.00 N ATOM 0 H GLN A 55 47.447 -0.971 -12.058 1.00 0.00 H new ATOM 0 HA GLN A 55 46.013 -1.818 -14.368 1.00 0.00 H new ATOM 0 HB2 GLN A 55 47.261 0.821 -13.574 1.00 0.00 H new ATOM 0 HB3 GLN A 55 46.321 0.594 -15.036 1.00 0.00 H new ATOM 0 HG2 GLN A 55 44.367 -0.084 -13.694 1.00 0.00 H new ATOM 0 HG3 GLN A 55 45.302 0.086 -12.222 1.00 0.00 H new ATOM 0 HE21 GLN A 55 42.839 1.475 -13.055 1.00 0.00 H new ATOM 0 HE22 GLN A 55 43.222 3.199 -13.033 1.00 0.00 H new ATOM 826 N HIS A 56 47.940 -2.535 -15.756 1.00 0.00 N ATOM 827 CA HIS A 56 48.941 -2.941 -16.744 1.00 0.00 C ATOM 828 C HIS A 56 48.649 -4.366 -17.184 1.00 0.00 C ATOM 829 O HIS A 56 48.959 -4.760 -18.306 1.00 0.00 O ATOM 830 CB HIS A 56 50.372 -2.872 -16.186 1.00 0.00 C ATOM 831 CG HIS A 56 51.209 -1.780 -16.791 1.00 0.00 C ATOM 832 ND1 HIS A 56 51.591 -1.763 -18.115 1.00 0.00 N ATOM 833 CD2 HIS A 56 51.728 -0.656 -16.244 1.00 0.00 C ATOM 834 CE1 HIS A 56 52.303 -0.680 -18.351 1.00 0.00 C ATOM 835 NE2 HIS A 56 52.402 0.015 -17.234 1.00 0.00 N ATOM 0 H HIS A 56 47.178 -3.205 -15.655 1.00 0.00 H new ATOM 0 HA HIS A 56 48.879 -2.250 -17.584 1.00 0.00 H new ATOM 0 HB2 HIS A 56 50.324 -2.724 -15.107 1.00 0.00 H new ATOM 0 HB3 HIS A 56 50.864 -3.830 -16.355 1.00 0.00 H new ATOM 0 HD2 HIS A 56 51.630 -0.344 -15.215 1.00 0.00 H new ATOM 0 HE1 HIS A 56 52.735 -0.406 -19.302 1.00 0.00 H new ATOM 0 HE2 HIS A 56 52.896 0.901 -17.125 1.00 0.00 H new ATOM 844 N GLY A 57 48.060 -5.137 -16.276 1.00 0.00 N ATOM 845 CA GLY A 57 47.689 -6.502 -16.594 1.00 0.00 C ATOM 846 C GLY A 57 48.363 -7.521 -15.695 1.00 0.00 C ATOM 847 O GLY A 57 48.929 -8.497 -16.178 1.00 0.00 O ATOM 0 H GLY A 57 47.833 -4.841 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.608 -6.609 -16.509 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.949 -6.712 -17.632 1.00 0.00 H new ATOM 851 N HIS A 58 48.322 -7.291 -14.386 1.00 0.00 N ATOM 852 CA HIS A 58 48.862 -8.261 -13.431 1.00 0.00 C ATOM 853 C HIS A 58 47.835 -8.584 -12.356 1.00 0.00 C ATOM 854 O HIS A 58 48.076 -9.419 -11.485 1.00 0.00 O ATOM 855 CB HIS A 58 50.158 -7.753 -12.781 1.00 0.00 C ATOM 856 CG HIS A 58 51.308 -7.631 -13.734 1.00 0.00 C ATOM 857 ND1 HIS A 58 52.094 -6.491 -13.834 1.00 0.00 N ATOM 858 CD2 HIS A 58 51.797 -8.509 -14.644 1.00 0.00 C ATOM 859 CE1 HIS A 58 53.012 -6.696 -14.787 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.852 -7.904 -15.278 1.00 0.00 N ATOM 0 H HIS A 58 47.926 -6.452 -13.963 1.00 0.00 H new ATOM 0 HA HIS A 58 49.095 -9.169 -13.987 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.969 -6.779 -12.329 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.438 -8.430 -11.974 1.00 0.00 H new ATOM 0 HD1 HIS A 58 51.990 -5.643 -13.277 1.00 0.00 H new ATOM 0 HD2 HIS A 58 51.424 -9.504 -14.835 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.762 -5.985 -15.101 1.00 0.00 H new ATOM 868 N GLY A 59 46.689 -7.914 -12.423 1.00 0.00 N ATOM 869 CA GLY A 59 45.636 -8.151 -11.458 1.00 0.00 C ATOM 870 C GLY A 59 45.918 -7.488 -10.126 1.00 0.00 C ATOM 871 O GLY A 59 46.482 -6.392 -10.079 1.00 0.00 O ATOM 0 H GLY A 59 46.473 -7.211 -13.130 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.692 -7.778 -11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 59 45.517 -9.224 -11.309 1.00 0.00 H new ATOM 875 N LEU A 60 45.527 -8.150 -9.048 1.00 0.00 N ATOM 876 CA LEU A 60 45.732 -7.625 -7.705 1.00 0.00 C ATOM 877 C LEU A 60 47.092 -8.045 -7.163 1.00 0.00 C ATOM 878 O LEU A 60 47.496 -9.203 -7.296 1.00 0.00 O ATOM 879 CB LEU A 60 44.625 -8.113 -6.770 1.00 0.00 C ATOM 880 CG LEU A 60 43.214 -7.647 -7.133 1.00 0.00 C ATOM 881 CD1 LEU A 60 42.195 -8.261 -6.189 1.00 0.00 C ATOM 882 CD2 LEU A 60 43.127 -6.129 -7.097 1.00 0.00 C ATOM 0 H LEU A 60 45.063 -9.058 -9.077 1.00 0.00 H new ATOM 0 HA LEU A 60 45.700 -6.537 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.638 -9.203 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.852 -7.778 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 60 42.991 -7.979 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 60 41.196 -7.920 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 60 42.240 -9.348 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 60 42.417 -7.957 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 60 42.116 -5.816 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.369 -5.774 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 60 43.833 -5.707 -7.812 1.00 0.00 H new ATOM 894 N ILE A 61 47.788 -7.103 -6.548 1.00 0.00 N ATOM 895 CA ILE A 61 49.116 -7.362 -6.012 1.00 0.00 C ATOM 896 C ILE A 61 49.054 -7.604 -4.507 1.00 0.00 C ATOM 897 O ILE A 61 48.429 -6.839 -3.772 1.00 0.00 O ATOM 898 CB ILE A 61 50.081 -6.187 -6.310 1.00 0.00 C ATOM 899 CG1 ILE A 61 50.250 -5.997 -7.822 1.00 0.00 C ATOM 900 CG2 ILE A 61 51.434 -6.413 -5.652 1.00 0.00 C ATOM 901 CD1 ILE A 61 50.755 -7.230 -8.544 1.00 0.00 C ATOM 0 H ILE A 61 47.455 -6.149 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 61 49.497 -8.258 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 61 49.645 -5.280 -5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 61 49.292 -5.704 -8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.943 -5.175 -8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 61 52.093 -5.574 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.305 -6.494 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.875 -7.333 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.848 -7.016 -9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 61 51.729 -7.512 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 61 50.052 -8.050 -8.399 1.00 0.00 H new ATOM 913 N SER A 62 49.677 -8.691 -4.063 1.00 0.00 N ATOM 914 CA SER A 62 49.778 -8.996 -2.642 1.00 0.00 C ATOM 915 C SER A 62 50.487 -7.864 -1.905 1.00 0.00 C ATOM 916 O SER A 62 51.372 -7.213 -2.459 1.00 0.00 O ATOM 917 CB SER A 62 50.528 -10.317 -2.434 1.00 0.00 C ATOM 918 OG SER A 62 50.697 -10.601 -1.054 1.00 0.00 O ATOM 0 H SER A 62 50.122 -9.378 -4.672 1.00 0.00 H new ATOM 0 HA SER A 62 48.772 -9.098 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 62 49.978 -11.129 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A 62 51.503 -10.265 -2.919 1.00 0.00 H new ATOM 0 HG SER A 62 51.177 -11.449 -0.951 1.00 0.00 H new ATOM 924 N LYS A 63 50.103 -7.647 -0.652 1.00 0.00 N ATOM 925 CA LYS A 63 50.648 -6.553 0.150 1.00 0.00 C ATOM 926 C LYS A 63 52.142 -6.764 0.419 1.00 0.00 C ATOM 927 O LYS A 63 52.863 -5.829 0.773 1.00 0.00 O ATOM 928 CB LYS A 63 49.865 -6.439 1.462 1.00 0.00 C ATOM 929 CG LYS A 63 50.172 -5.187 2.271 1.00 0.00 C ATOM 930 CD LYS A 63 49.233 -5.054 3.460 1.00 0.00 C ATOM 931 CE LYS A 63 49.549 -3.824 4.298 1.00 0.00 C ATOM 932 NZ LYS A 63 50.872 -3.926 4.969 1.00 0.00 N ATOM 0 H LYS A 63 49.412 -8.218 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 63 50.544 -5.621 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 63 48.799 -6.459 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 63 50.078 -7.314 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 51.204 -5.222 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 63 50.081 -4.308 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 63 48.204 -4.997 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 63 49.307 -5.946 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 63 49.534 -2.939 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 63 48.772 -3.689 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 50.973 -3.153 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 50.942 -4.839 5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 51.628 -3.857 4.258 1.00 0.00 H new ATOM 946 N LYS A 64 52.602 -8.000 0.242 1.00 0.00 N ATOM 947 CA LYS A 64 54.018 -8.321 0.390 1.00 0.00 C ATOM 948 C LYS A 64 54.752 -8.152 -0.945 1.00 0.00 C ATOM 949 O LYS A 64 55.977 -8.034 -0.985 1.00 0.00 O ATOM 950 CB LYS A 64 54.190 -9.755 0.904 1.00 0.00 C ATOM 951 CG LYS A 64 55.641 -10.137 1.156 1.00 0.00 C ATOM 952 CD LYS A 64 55.787 -11.604 1.514 1.00 0.00 C ATOM 953 CE LYS A 64 57.249 -11.982 1.687 1.00 0.00 C ATOM 954 NZ LYS A 64 57.418 -13.428 1.974 1.00 0.00 N ATOM 0 H LYS A 64 52.014 -8.796 -0.004 1.00 0.00 H new ATOM 0 HA LYS A 64 54.450 -7.632 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 64 53.626 -9.872 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 64 53.761 -10.447 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 64 56.233 -9.920 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 64 56.042 -9.525 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 64 55.243 -11.813 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 64 55.339 -12.218 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 64 57.800 -11.725 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 64 57.681 -11.398 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 58.429 -13.644 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 56.914 -13.669 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 57.029 -13.986 1.187 1.00 0.00 H new ATOM 968 N ARG A 65 53.996 -8.122 -2.034 1.00 0.00 N ATOM 969 CA ARG A 65 54.579 -8.001 -3.366 1.00 0.00 C ATOM 970 C ARG A 65 54.633 -6.541 -3.801 1.00 0.00 C ATOM 971 O ARG A 65 54.857 -6.241 -4.973 1.00 0.00 O ATOM 972 CB ARG A 65 53.778 -8.815 -4.389 1.00 0.00 C ATOM 973 CG ARG A 65 53.908 -10.318 -4.223 1.00 0.00 C ATOM 974 CD ARG A 65 53.114 -11.068 -5.283 1.00 0.00 C ATOM 975 NE ARG A 65 53.545 -10.734 -6.641 1.00 0.00 N ATOM 976 CZ ARG A 65 53.539 -11.592 -7.663 1.00 0.00 C ATOM 977 NH1 ARG A 65 53.133 -12.846 -7.486 1.00 0.00 N ATOM 978 NH2 ARG A 65 53.934 -11.187 -8.862 1.00 0.00 N ATOM 0 H ARG A 65 52.978 -8.180 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 65 55.594 -8.395 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 65 52.726 -8.541 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 65 54.106 -8.541 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 65 54.958 -10.602 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 65 53.558 -10.607 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 65 53.223 -12.141 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 65 52.055 -10.835 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 65 53.871 -9.784 -6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 65 52.824 -13.157 -6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 65 53.131 -13.497 -8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 65 54.240 -10.224 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 65 53.932 -11.839 -9.647 1.00 0.00 H new ATOM 992 N VAL A 66 54.430 -5.642 -2.854 1.00 0.00 N ATOM 993 CA VAL A 66 54.452 -4.218 -3.137 1.00 0.00 C ATOM 994 C VAL A 66 55.844 -3.645 -2.889 1.00 0.00 C ATOM 995 O VAL A 66 56.424 -3.842 -1.821 1.00 0.00 O ATOM 996 CB VAL A 66 53.427 -3.454 -2.271 1.00 0.00 C ATOM 997 CG1 VAL A 66 53.441 -1.969 -2.598 1.00 0.00 C ATOM 998 CG2 VAL A 66 52.029 -4.026 -2.458 1.00 0.00 C ATOM 0 H VAL A 66 54.247 -5.875 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 66 54.185 -4.092 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 66 53.712 -3.577 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 66 52.711 -1.452 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 66 54.434 -1.563 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 66 53.188 -1.825 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 66 51.323 -3.472 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 66 51.738 -3.940 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 66 52.023 -5.076 -2.165 1.00 0.00 H new ATOM 1008 N GLU A 67 56.379 -2.953 -3.881 1.00 0.00 N ATOM 1009 CA GLU A 67 57.670 -2.299 -3.742 1.00 0.00 C ATOM 1010 C GLU A 67 57.481 -0.921 -3.120 1.00 0.00 C ATOM 1011 O GLU A 67 56.956 -0.009 -3.759 1.00 0.00 O ATOM 1012 CB GLU A 67 58.363 -2.182 -5.104 1.00 0.00 C ATOM 1013 CG GLU A 67 59.695 -1.444 -5.059 1.00 0.00 C ATOM 1014 CD GLU A 67 60.726 -2.131 -4.186 1.00 0.00 C ATOM 1015 OE1 GLU A 67 60.765 -1.857 -2.970 1.00 0.00 O ATOM 1016 OE2 GLU A 67 61.521 -2.939 -4.715 1.00 0.00 O ATOM 0 H GLU A 67 55.939 -2.829 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 67 58.304 -2.900 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 67 58.527 -3.183 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 67 57.697 -1.667 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 67 60.088 -1.353 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.531 -0.432 -4.689 1.00 0.00 H new ATOM 1023 N PHE A 68 57.880 -0.788 -1.865 1.00 0.00 N ATOM 1024 CA PHE A 68 57.758 0.477 -1.154 1.00 0.00 C ATOM 1025 C PHE A 68 59.026 1.305 -1.310 1.00 0.00 C ATOM 1026 O PHE A 68 60.074 0.968 -0.752 1.00 0.00 O ATOM 1027 CB PHE A 68 57.480 0.236 0.333 1.00 0.00 C ATOM 1028 CG PHE A 68 56.172 -0.448 0.609 1.00 0.00 C ATOM 1029 CD1 PHE A 68 54.985 0.265 0.581 1.00 0.00 C ATOM 1030 CD2 PHE A 68 56.130 -1.801 0.908 1.00 0.00 C ATOM 1031 CE1 PHE A 68 53.780 -0.359 0.844 1.00 0.00 C ATOM 1032 CE2 PHE A 68 54.929 -2.430 1.170 1.00 0.00 C ATOM 1033 CZ PHE A 68 53.752 -1.709 1.138 1.00 0.00 C ATOM 0 H PHE A 68 58.292 -1.542 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 68 56.921 1.026 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 68 58.288 -0.366 0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 68 57.494 1.193 0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 68 55.001 1.320 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 68 57.048 -2.370 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 68 52.861 0.208 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 68 54.910 -3.485 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 68 52.811 -2.199 1.342 1.00 0.00 H new ATOM 1043 N VAL A 69 58.935 2.372 -2.087 1.00 0.00 N ATOM 1044 CA VAL A 69 60.050 3.295 -2.242 1.00 0.00 C ATOM 1045 C VAL A 69 59.785 4.574 -1.461 1.00 0.00 C ATOM 1046 O VAL A 69 58.632 4.975 -1.288 1.00 0.00 O ATOM 1047 CB VAL A 69 60.318 3.643 -3.724 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.688 2.392 -4.508 1.00 0.00 C ATOM 1049 CG2 VAL A 69 59.117 4.338 -4.353 1.00 0.00 C ATOM 0 H VAL A 69 58.102 2.621 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 69 60.936 2.796 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 69 61.159 4.335 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.873 2.657 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 69 61.587 1.948 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.869 1.675 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.336 4.570 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.249 3.681 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 69 58.906 5.261 -3.812 1.00 0.00 H new ATOM 1059 N LEU A 70 60.848 5.203 -0.984 1.00 0.00 N ATOM 1060 CA LEU A 70 60.721 6.419 -0.194 1.00 0.00 C ATOM 1061 C LEU A 70 60.345 7.594 -1.085 1.00 0.00 C ATOM 1062 O LEU A 70 60.884 7.753 -2.181 1.00 0.00 O ATOM 1063 CB LEU A 70 62.023 6.731 0.559 1.00 0.00 C ATOM 1064 CG LEU A 70 62.327 5.845 1.776 1.00 0.00 C ATOM 1065 CD1 LEU A 70 62.676 4.425 1.354 1.00 0.00 C ATOM 1066 CD2 LEU A 70 63.457 6.449 2.595 1.00 0.00 C ATOM 0 H LEU A 70 61.808 4.892 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 70 59.931 6.258 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.853 6.648 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 70 61.988 7.769 0.890 1.00 0.00 H new ATOM 0 HG LEU A 70 61.429 5.797 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 70 62.886 3.824 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 70 61.837 3.990 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 70 63.555 4.442 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 70 63.664 5.812 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 64.352 6.527 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 70 63.166 7.441 2.940 1.00 0.00 H new ATOM 1078 N ALA A 71 59.406 8.399 -0.618 1.00 0.00 N ATOM 1079 CA ALA A 71 58.971 9.574 -1.349 1.00 0.00 C ATOM 1080 C ALA A 71 59.708 10.811 -0.851 1.00 0.00 C ATOM 1081 O ALA A 71 60.689 11.220 -1.503 1.00 0.00 O ATOM 1082 CB ALA A 71 57.466 9.755 -1.216 1.00 0.00 C ATOM 1083 OXT ALA A 71 59.315 11.363 0.198 1.00 0.00 O ATOM 0 H ALA A 71 58.928 8.257 0.272 1.00 0.00 H new ATOM 0 HA ALA A 71 59.207 9.435 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 71 57.156 10.641 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 71 56.957 8.879 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 71 57.206 9.875 -0.164 1.00 0.00 H new