USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 635 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: A1082 ASN : amide:sc= -0.608! K(o=-0.093!,f=-8) USER MOD Set 1.2: B1592 LYS NZ :NH3+ 153:sc= -0.467! (180deg=-0.989!) USER MOD Set 1.3: B1596 GLN : amide:sc= 0.982 K(o=-0.093,f=-8.4) USER MOD Single : A1073 LYS NZ :NH3+ 175:sc= 0.786 (180deg=0.741) USER MOD Single : A1074 THR OG1 : rot 137:sc= 1.75 USER MOD Single : A1076 TYR OH : rot 133:sc= -0.317 USER MOD Single : A1078 CYS SG : rot 94:sc= -0.0951 USER MOD Single : A1079 GLN : amide:sc= -0.086 K(o=-0.086,f=-1.4!) USER MOD Single : A1087 THR OG1 : rot 170:sc= 1.05 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A1112 GLN : amide:sc= -0.604 K(o=-0.6,f=-6.6!) USER MOD Single : A1116 LYS NZ :NH3+ 163:sc= -0.0713 (180deg=-0.385) USER MOD Single : A1122 SER OG : rot -91:sc= 1.27 USER MOD Single : A1125 HIS : no HE2:sc= 0.18 K(o=0.18,f=-3.7!) USER MOD Single : A1128 SER OG : rot 130:sc= -0.172 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0 USER MOD Single : B1583 MET CE :methyl -160:sc= -0.0317 (180deg=-0.358) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -109:sc= 1.14 (180deg=-0.00621) USER MOD Single : B1587 SER OG : rot -163:sc= 1.2 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -139:sc= 1.89 (180deg=0.21) USER MOD Single : B1593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 1.536 -1.581 0.379 1.00 0.00 N ATOM 2 CA VAL A1069 1.825 -1.051 -0.972 1.00 0.00 C ATOM 3 C VAL A1069 2.942 -0.014 -0.903 1.00 0.00 C ATOM 4 O VAL A1069 4.010 -0.194 -1.491 1.00 0.00 O ATOM 5 CB VAL A1069 0.573 -0.399 -1.602 1.00 0.00 C ATOM 6 CG1 VAL A1069 0.871 0.114 -3.003 1.00 0.00 C ATOM 7 CG2 VAL A1069 -0.584 -1.383 -1.627 1.00 0.00 C ATOM 0 HA VAL A1069 2.134 -1.891 -1.594 1.00 0.00 H new ATOM 0 HB VAL A1069 0.289 0.454 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -0.027 0.568 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A1069 1.666 0.858 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A1069 1.187 -0.716 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -1.457 -0.907 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -0.306 -2.257 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -0.821 -1.692 -0.609 1.00 0.00 H new ATOM 19 N ARG A1070 2.699 1.066 -0.175 1.00 0.00 N ATOM 20 CA ARG A1070 3.690 2.122 -0.031 1.00 0.00 C ATOM 21 C ARG A1070 4.087 2.262 1.431 1.00 0.00 C ATOM 22 O ARG A1070 3.245 2.165 2.318 1.00 0.00 O ATOM 23 CB ARG A1070 3.131 3.447 -0.552 1.00 0.00 C ATOM 24 CG ARG A1070 4.163 4.563 -0.621 1.00 0.00 C ATOM 25 CD ARG A1070 3.535 5.876 -1.046 1.00 0.00 C ATOM 26 NE ARG A1070 2.825 5.769 -2.317 1.00 0.00 N ATOM 27 CZ ARG A1070 1.664 6.372 -2.569 1.00 0.00 C ATOM 28 NH1 ARG A1070 1.078 7.107 -1.635 1.00 0.00 N ATOM 29 NH2 ARG A1070 1.081 6.242 -3.752 1.00 0.00 N ATOM 0 H ARG A1070 1.826 1.234 0.324 1.00 0.00 H new ATOM 0 HA ARG A1070 4.572 1.861 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.713 3.289 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.310 3.763 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.636 4.683 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A1070 4.949 4.290 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A1070 2.843 6.211 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.311 6.636 -1.130 1.00 0.00 H new ATOM 0 HE ARG A1070 3.241 5.200 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A1070 1.516 7.212 -0.720 1.00 0.00 H new ATOM 0 HH12 ARG A1070 0.189 7.567 -1.831 1.00 0.00 H new ATOM 0 HH21 ARG A1070 1.521 5.677 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A1070 0.192 6.707 -3.936 1.00 0.00 H new ATOM 43 N ARG A1071 5.364 2.491 1.684 1.00 0.00 N ATOM 44 CA ARG A1071 5.843 2.605 3.050 1.00 0.00 C ATOM 45 C ARG A1071 6.831 3.755 3.189 1.00 0.00 C ATOM 46 O ARG A1071 7.778 3.871 2.412 1.00 0.00 O ATOM 47 CB ARG A1071 6.504 1.301 3.497 1.00 0.00 C ATOM 48 CG ARG A1071 7.001 1.343 4.934 1.00 0.00 C ATOM 49 CD ARG A1071 7.845 0.128 5.277 1.00 0.00 C ATOM 50 NE ARG A1071 7.065 -1.108 5.306 1.00 0.00 N ATOM 51 CZ ARG A1071 7.242 -2.125 4.468 1.00 0.00 C ATOM 52 NH1 ARG A1071 8.171 -2.059 3.520 1.00 0.00 N ATOM 53 NH2 ARG A1071 6.501 -3.213 4.604 1.00 0.00 N ATOM 0 H ARG A1071 6.082 2.601 0.968 1.00 0.00 H new ATOM 0 HA ARG A1071 4.982 2.807 3.688 1.00 0.00 H new ATOM 0 HB2 ARG A1071 5.790 0.484 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.342 1.081 2.836 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.588 2.248 5.089 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.149 1.396 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A1071 8.648 0.030 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.315 0.279 6.249 1.00 0.00 H new ATOM 0 HE ARG A1071 6.337 -1.196 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A1071 8.752 -1.225 3.433 1.00 0.00 H new ATOM 0 HH12 ARG A1071 8.303 -2.842 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A1071 5.803 -3.265 5.346 1.00 0.00 H new ATOM 0 HH22 ARG A1071 6.628 -3.999 3.967 1.00 0.00 H new ATOM 67 N VAL A1072 6.610 4.598 4.178 1.00 0.00 N ATOM 68 CA VAL A1072 7.517 5.694 4.457 1.00 0.00 C ATOM 69 C VAL A1072 8.107 5.548 5.852 1.00 0.00 C ATOM 70 O VAL A1072 7.503 4.935 6.734 1.00 0.00 O ATOM 71 CB VAL A1072 6.823 7.071 4.338 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.282 7.280 2.935 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.710 7.217 5.364 1.00 0.00 C ATOM 0 H VAL A1072 5.807 4.545 4.804 1.00 0.00 H new ATOM 0 HA VAL A1072 8.309 5.650 3.710 1.00 0.00 H new ATOM 0 HB VAL A1072 7.570 7.838 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.798 8.255 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.102 7.236 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.557 6.499 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.241 8.195 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.965 6.438 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.125 7.123 6.367 1.00 0.00 H new ATOM 83 N LYS A1073 9.291 6.094 6.038 1.00 0.00 N ATOM 84 CA LYS A1073 9.946 6.063 7.331 1.00 0.00 C ATOM 85 C LYS A1073 10.136 7.493 7.798 1.00 0.00 C ATOM 86 O LYS A1073 10.570 8.355 7.028 1.00 0.00 O ATOM 87 CB LYS A1073 11.294 5.334 7.229 1.00 0.00 C ATOM 88 CG LYS A1073 11.757 4.666 8.521 1.00 0.00 C ATOM 89 CD LYS A1073 12.278 5.663 9.546 1.00 0.00 C ATOM 90 CE LYS A1073 13.536 6.364 9.060 1.00 0.00 C ATOM 91 NZ LYS A1073 14.158 7.191 10.127 1.00 0.00 N ATOM 0 H LYS A1073 9.822 6.567 5.307 1.00 0.00 H new ATOM 0 HA LYS A1073 9.335 5.520 8.052 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.224 4.576 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.055 6.048 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.927 4.107 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.541 3.945 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.507 6.404 9.757 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.488 5.146 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.254 5.621 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.292 6.996 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.057 7.584 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.516 7.968 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.337 6.600 10.964 1.00 0.00 H new ATOM 105 N THR A1074 9.790 7.750 9.041 1.00 0.00 N ATOM 106 CA THR A1074 9.824 9.096 9.569 1.00 0.00 C ATOM 107 C THR A1074 11.253 9.525 9.874 1.00 0.00 C ATOM 108 O THR A1074 11.981 8.839 10.598 1.00 0.00 O ATOM 109 CB THR A1074 8.967 9.194 10.839 1.00 0.00 C ATOM 110 OG1 THR A1074 9.502 8.333 11.840 1.00 0.00 O ATOM 111 CG2 THR A1074 7.530 8.793 10.552 1.00 0.00 C ATOM 0 H THR A1074 9.481 7.042 9.707 1.00 0.00 H new ATOM 0 HA THR A1074 9.416 9.765 8.811 1.00 0.00 H new ATOM 0 HB THR A1074 8.980 10.227 11.186 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.502 8.796 12.704 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.941 8.870 11.466 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.112 9.455 9.794 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.504 7.765 10.190 1.00 0.00 H new ATOM 119 N ILE A1075 11.656 10.654 9.308 1.00 0.00 N ATOM 120 CA ILE A1075 12.993 11.184 9.530 1.00 0.00 C ATOM 121 C ILE A1075 12.934 12.297 10.555 1.00 0.00 C ATOM 122 O ILE A1075 13.944 12.896 10.919 1.00 0.00 O ATOM 123 CB ILE A1075 13.612 11.733 8.233 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.621 12.648 7.516 1.00 0.00 C ATOM 125 CG2 ILE A1075 14.045 10.595 7.325 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.234 13.467 6.404 1.00 0.00 C ATOM 0 H ILE A1075 11.075 11.221 8.691 1.00 0.00 H new ATOM 0 HA ILE A1075 13.618 10.366 9.888 1.00 0.00 H new ATOM 0 HB ILE A1075 14.495 12.318 8.491 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.815 12.041 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.172 13.323 8.245 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.480 11.003 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.786 9.982 7.838 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.180 9.982 7.072 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.466 14.090 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.021 14.102 6.811 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.658 12.801 5.653 1.00 0.00 H new ATOM 138 N TYR A1076 11.721 12.558 10.993 1.00 0.00 N ATOM 139 CA TYR A1076 11.429 13.593 11.961 1.00 0.00 C ATOM 140 C TYR A1076 10.297 13.159 12.867 1.00 0.00 C ATOM 141 O TYR A1076 9.701 12.097 12.666 1.00 0.00 O ATOM 142 CB TYR A1076 11.022 14.871 11.243 1.00 0.00 C ATOM 143 CG TYR A1076 12.180 15.715 10.800 1.00 0.00 C ATOM 144 CD1 TYR A1076 12.766 16.593 11.692 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.686 15.652 9.503 1.00 0.00 C ATOM 146 CE1 TYR A1076 13.813 17.387 11.314 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.738 16.446 9.127 1.00 0.00 C ATOM 148 CZ TYR A1076 14.291 17.311 10.037 1.00 0.00 C ATOM 149 OH TYR A1076 15.323 18.114 9.665 1.00 0.00 O ATOM 0 H TYR A1076 10.895 12.047 10.680 1.00 0.00 H new ATOM 0 HA TYR A1076 12.324 13.771 12.557 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.421 14.611 10.372 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.387 15.461 11.904 1.00 0.00 H new ATOM 0 HD1 TYR A1076 12.391 16.653 12.703 1.00 0.00 H new ATOM 0 HD2 TYR A1076 12.246 14.972 8.789 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.259 18.070 12.021 1.00 0.00 H new ATOM 0 HE2 TYR A1076 14.129 16.391 8.122 1.00 0.00 H new ATOM 0 HH TYR A1076 15.994 17.584 9.187 1.00 0.00 H new ATOM 159 N ASP A1077 9.994 13.985 13.853 1.00 0.00 N ATOM 160 CA ASP A1077 8.865 13.736 14.723 1.00 0.00 C ATOM 161 C ASP A1077 7.882 14.883 14.583 1.00 0.00 C ATOM 162 O ASP A1077 8.243 16.055 14.705 1.00 0.00 O ATOM 163 CB ASP A1077 9.300 13.536 16.190 1.00 0.00 C ATOM 164 CG ASP A1077 9.602 14.821 16.943 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.702 15.384 16.766 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.753 15.251 17.755 1.00 0.00 O ATOM 0 H ASP A1077 10.516 14.834 14.069 1.00 0.00 H new ATOM 0 HA ASP A1077 8.382 12.806 14.423 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.513 12.998 16.718 1.00 0.00 H new ATOM 0 HB3 ASP A1077 10.187 12.903 16.209 1.00 0.00 H new ATOM 171 N CYS A1078 6.651 14.540 14.279 1.00 0.00 N ATOM 172 CA CYS A1078 5.627 15.530 14.023 1.00 0.00 C ATOM 173 C CYS A1078 4.375 15.162 14.779 1.00 0.00 C ATOM 174 O CYS A1078 4.055 13.983 14.933 1.00 0.00 O ATOM 175 CB CYS A1078 5.318 15.634 12.528 1.00 0.00 C ATOM 176 SG CYS A1078 4.170 16.966 12.098 1.00 0.00 S ATOM 0 H CYS A1078 6.332 13.574 14.202 1.00 0.00 H new ATOM 0 HA CYS A1078 5.993 16.500 14.360 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.251 15.785 11.985 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.901 14.686 12.188 1.00 0.00 H new ATOM 0 HG CYS A1078 4.842 18.028 11.765 1.00 0.00 H new ATOM 182 N GLN A1079 3.669 16.165 15.240 1.00 0.00 N ATOM 183 CA GLN A1079 2.476 15.927 16.029 1.00 0.00 C ATOM 184 C GLN A1079 1.260 16.582 15.397 1.00 0.00 C ATOM 185 O GLN A1079 1.355 17.653 14.795 1.00 0.00 O ATOM 186 CB GLN A1079 2.695 16.392 17.467 1.00 0.00 C ATOM 187 CG GLN A1079 1.507 16.170 18.387 1.00 0.00 C ATOM 188 CD GLN A1079 1.888 16.278 19.851 1.00 0.00 C ATOM 189 OE1 GLN A1079 3.015 15.970 20.237 1.00 0.00 O ATOM 190 NE2 GLN A1079 0.953 16.716 20.676 1.00 0.00 N ATOM 0 H GLN A1079 3.894 17.148 15.087 1.00 0.00 H new ATOM 0 HA GLN A1079 2.279 14.855 16.051 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.559 15.869 17.877 1.00 0.00 H new ATOM 0 HB3 GLN A1079 2.939 17.454 17.459 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.732 16.902 18.160 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.081 15.185 18.196 1.00 0.00 H new ATOM 0 HE21 GLN A1079 0.030 16.961 20.317 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.154 16.809 21.672 1.00 0.00 H new ATOM 199 N ALA A1080 0.129 15.898 15.544 1.00 0.00 N ATOM 200 CA ALA A1080 -1.130 16.259 14.898 1.00 0.00 C ATOM 201 C ALA A1080 -1.448 17.744 14.992 1.00 0.00 C ATOM 202 O ALA A1080 -1.429 18.341 16.070 1.00 0.00 O ATOM 203 CB ALA A1080 -2.265 15.453 15.503 1.00 0.00 C ATOM 0 H ALA A1080 0.060 15.063 16.125 1.00 0.00 H new ATOM 0 HA ALA A1080 -1.019 16.027 13.839 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.203 15.725 15.019 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -2.075 14.390 15.355 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.333 15.665 16.570 1.00 0.00 H new ATOM 209 N ASP A1081 -1.738 18.313 13.832 1.00 0.00 N ATOM 210 CA ASP A1081 -2.176 19.695 13.714 1.00 0.00 C ATOM 211 C ASP A1081 -3.623 19.801 14.175 1.00 0.00 C ATOM 212 O ASP A1081 -3.965 20.633 15.014 1.00 0.00 O ATOM 213 CB ASP A1081 -2.034 20.147 12.257 1.00 0.00 C ATOM 214 CG ASP A1081 -2.490 21.571 12.023 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.737 22.500 12.377 1.00 0.00 O ATOM 216 OD2 ASP A1081 -3.588 21.764 11.465 1.00 0.00 O ATOM 0 H ASP A1081 -1.675 17.824 12.939 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.561 20.342 14.340 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.991 20.053 11.955 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.612 19.479 11.619 1.00 0.00 H new ATOM 221 N ASN A1082 -4.460 18.935 13.622 1.00 0.00 N ATOM 222 CA ASN A1082 -5.834 18.779 14.069 1.00 0.00 C ATOM 223 C ASN A1082 -6.129 17.305 14.308 1.00 0.00 C ATOM 224 O ASN A1082 -5.212 16.483 14.333 1.00 0.00 O ATOM 225 CB ASN A1082 -6.832 19.351 13.053 1.00 0.00 C ATOM 226 CG ASN A1082 -6.916 20.866 13.072 1.00 0.00 C ATOM 227 OD1 ASN A1082 -7.208 21.488 12.052 1.00 0.00 O ATOM 228 ND2 ASN A1082 -6.667 21.469 14.223 1.00 0.00 N ATOM 0 H ASN A1082 -4.204 18.320 12.849 1.00 0.00 H new ATOM 0 HA ASN A1082 -5.950 19.337 14.998 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.548 19.024 12.053 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -7.820 18.938 13.255 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -6.714 22.486 14.287 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -6.428 20.917 15.047 1.00 0.00 H new ATOM 235 N ASP A1083 -7.398 16.971 14.486 1.00 0.00 N ATOM 236 CA ASP A1083 -7.801 15.599 14.784 1.00 0.00 C ATOM 237 C ASP A1083 -7.438 14.632 13.652 1.00 0.00 C ATOM 238 O ASP A1083 -7.095 13.476 13.901 1.00 0.00 O ATOM 239 CB ASP A1083 -9.308 15.550 15.045 1.00 0.00 C ATOM 240 CG ASP A1083 -9.779 14.191 15.524 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.331 13.750 16.605 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.602 13.564 14.826 1.00 0.00 O ATOM 0 H ASP A1083 -8.172 17.633 14.430 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.257 15.281 15.673 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.567 16.302 15.790 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.839 15.811 14.130 1.00 0.00 H new ATOM 247 N ASP A1084 -7.482 15.117 12.415 1.00 0.00 N ATOM 248 CA ASP A1084 -7.301 14.256 11.244 1.00 0.00 C ATOM 249 C ASP A1084 -5.818 14.032 10.920 1.00 0.00 C ATOM 250 O ASP A1084 -5.470 13.179 10.100 1.00 0.00 O ATOM 251 CB ASP A1084 -8.027 14.868 10.041 1.00 0.00 C ATOM 252 CG ASP A1084 -8.164 13.908 8.876 1.00 0.00 C ATOM 253 OD1 ASP A1084 -9.071 13.045 8.905 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.385 14.017 7.914 1.00 0.00 O ATOM 0 H ASP A1084 -7.641 16.100 12.194 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.729 13.280 11.472 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.019 15.196 10.352 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -7.486 15.755 9.711 1.00 0.00 H new ATOM 259 N GLU A1085 -4.947 14.798 11.564 1.00 0.00 N ATOM 260 CA GLU A1085 -3.507 14.646 11.364 1.00 0.00 C ATOM 261 C GLU A1085 -2.957 13.462 12.161 1.00 0.00 C ATOM 262 O GLU A1085 -3.498 13.087 13.206 1.00 0.00 O ATOM 263 CB GLU A1085 -2.751 15.918 11.755 1.00 0.00 C ATOM 264 CG GLU A1085 -2.586 16.931 10.629 1.00 0.00 C ATOM 265 CD GLU A1085 -3.877 17.617 10.236 1.00 0.00 C ATOM 266 OE1 GLU A1085 -4.696 17.899 11.127 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.068 17.895 9.035 1.00 0.00 O ATOM 0 H GLU A1085 -5.208 15.528 12.227 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.354 14.459 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.275 16.396 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.763 15.639 12.122 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -1.862 17.686 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -2.172 16.427 9.756 1.00 0.00 H new ATOM 274 N LEU A1086 -1.870 12.889 11.663 1.00 0.00 N ATOM 275 CA LEU A1086 -1.245 11.735 12.290 1.00 0.00 C ATOM 276 C LEU A1086 0.070 12.125 12.965 1.00 0.00 C ATOM 277 O LEU A1086 0.959 12.697 12.334 1.00 0.00 O ATOM 278 CB LEU A1086 -1.021 10.635 11.241 1.00 0.00 C ATOM 279 CG LEU A1086 -0.320 9.367 11.736 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.930 8.144 11.087 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.163 9.411 11.415 1.00 0.00 C ATOM 0 H LEU A1086 -1.399 13.210 10.817 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.909 11.352 13.065 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.989 10.353 10.827 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.435 11.054 10.423 1.00 0.00 H new ATOM 0 HG LEU A1086 -0.450 9.312 12.817 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.422 7.249 11.448 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.989 8.088 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -0.819 8.213 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.641 8.500 11.776 1.00 0.00 H new ATOM 0 HD22 LEU A1086 1.300 9.490 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.615 10.275 11.902 1.00 0.00 H new ATOM 293 N THR A1087 0.168 11.831 14.254 1.00 0.00 N ATOM 294 CA THR A1087 1.383 12.081 15.016 1.00 0.00 C ATOM 295 C THR A1087 2.365 10.920 14.866 1.00 0.00 C ATOM 296 O THR A1087 2.000 9.758 15.063 1.00 0.00 O ATOM 297 CB THR A1087 1.065 12.295 16.513 1.00 0.00 C ATOM 298 OG1 THR A1087 0.119 13.363 16.664 1.00 0.00 O ATOM 299 CG2 THR A1087 2.326 12.596 17.316 1.00 0.00 C ATOM 0 H THR A1087 -0.588 11.415 14.798 1.00 0.00 H new ATOM 0 HA THR A1087 1.838 12.988 14.619 1.00 0.00 H new ATOM 0 HB THR A1087 0.636 11.371 16.901 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.200 13.389 17.590 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.064 12.741 18.364 1.00 0.00 H new ATOM 0 HG22 THR A1087 3.021 11.761 17.228 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.795 13.501 16.931 1.00 0.00 H new ATOM 307 N PHE A1088 3.600 11.241 14.510 1.00 0.00 N ATOM 308 CA PHE A1088 4.644 10.238 14.357 1.00 0.00 C ATOM 309 C PHE A1088 5.947 10.744 14.955 1.00 0.00 C ATOM 310 O PHE A1088 6.138 11.949 15.113 1.00 0.00 O ATOM 311 CB PHE A1088 4.844 9.864 12.877 1.00 0.00 C ATOM 312 CG PHE A1088 5.169 11.024 11.963 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.416 11.632 11.996 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.225 11.501 11.067 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.714 12.685 11.157 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.519 12.555 10.226 1.00 0.00 C ATOM 317 CZ PHE A1088 5.761 13.149 10.273 1.00 0.00 C ATOM 0 H PHE A1088 3.905 12.196 14.320 1.00 0.00 H new ATOM 0 HA PHE A1088 4.333 9.340 14.891 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.648 9.131 12.809 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.938 9.378 12.515 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.164 11.275 12.689 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.248 11.042 11.027 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.690 13.145 11.192 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.775 12.914 9.531 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.989 13.977 9.618 1.00 0.00 H new ATOM 327 N ILE A1089 6.833 9.827 15.290 1.00 0.00 N ATOM 328 CA ILE A1089 8.132 10.190 15.835 1.00 0.00 C ATOM 329 C ILE A1089 9.246 9.606 14.982 1.00 0.00 C ATOM 330 O ILE A1089 9.041 8.604 14.307 1.00 0.00 O ATOM 331 CB ILE A1089 8.283 9.746 17.310 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.587 8.401 17.582 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.729 10.820 18.233 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.246 7.209 16.926 1.00 0.00 C ATOM 0 H ILE A1089 6.680 8.823 15.195 1.00 0.00 H new ATOM 0 HA ILE A1089 8.206 11.277 15.815 1.00 0.00 H new ATOM 0 HB ILE A1089 9.346 9.608 17.507 1.00 0.00 H new ATOM 0 HG12 ILE A1089 7.554 8.235 18.659 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.555 8.464 17.238 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.838 10.501 19.269 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.277 11.750 18.080 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.674 10.980 18.012 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.689 6.305 17.171 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.255 7.347 15.845 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.270 7.114 17.288 1.00 0.00 H new ATOM 346 N GLU A1090 10.410 10.248 14.999 1.00 0.00 N ATOM 347 CA GLU A1090 11.542 9.825 14.174 1.00 0.00 C ATOM 348 C GLU A1090 11.888 8.368 14.462 1.00 0.00 C ATOM 349 O GLU A1090 12.134 8.001 15.612 1.00 0.00 O ATOM 350 CB GLU A1090 12.749 10.730 14.446 1.00 0.00 C ATOM 351 CG GLU A1090 13.818 10.702 13.359 1.00 0.00 C ATOM 352 CD GLU A1090 14.667 9.444 13.357 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.498 9.278 14.277 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.526 8.623 12.431 1.00 0.00 O ATOM 0 H GLU A1090 10.597 11.067 15.577 1.00 0.00 H new ATOM 0 HA GLU A1090 11.270 9.911 13.122 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.399 11.755 14.567 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.203 10.435 15.392 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.335 10.803 12.387 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.470 11.567 13.483 1.00 0.00 H new ATOM 361 N GLY A1091 11.888 7.547 13.419 1.00 0.00 N ATOM 362 CA GLY A1091 12.164 6.135 13.586 1.00 0.00 C ATOM 363 C GLY A1091 10.915 5.293 13.427 1.00 0.00 C ATOM 364 O GLY A1091 10.962 4.064 13.514 1.00 0.00 O ATOM 0 H GLY A1091 11.701 7.836 12.459 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.909 5.822 12.854 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.594 5.963 14.573 1.00 0.00 H new ATOM 368 N GLU A1092 9.795 5.963 13.199 1.00 0.00 N ATOM 369 CA GLU A1092 8.521 5.289 13.002 1.00 0.00 C ATOM 370 C GLU A1092 8.369 4.873 11.541 1.00 0.00 C ATOM 371 O GLU A1092 9.029 5.419 10.652 1.00 0.00 O ATOM 372 CB GLU A1092 7.369 6.211 13.399 1.00 0.00 C ATOM 373 CG GLU A1092 6.123 5.485 13.880 1.00 0.00 C ATOM 374 CD GLU A1092 6.369 4.640 15.114 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.020 3.582 14.993 1.00 0.00 O ATOM 376 OE2 GLU A1092 5.916 5.030 16.206 1.00 0.00 O ATOM 0 H GLU A1092 9.744 6.980 13.146 1.00 0.00 H new ATOM 0 HA GLU A1092 8.496 4.399 13.631 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.711 6.882 14.187 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.105 6.833 12.543 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.344 6.216 14.096 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.748 4.848 13.079 1.00 0.00 H new ATOM 383 N VAL A1093 7.486 3.922 11.305 1.00 0.00 N ATOM 384 CA VAL A1093 7.273 3.369 9.976 1.00 0.00 C ATOM 385 C VAL A1093 5.803 3.455 9.603 1.00 0.00 C ATOM 386 O VAL A1093 4.952 2.858 10.261 1.00 0.00 O ATOM 387 CB VAL A1093 7.736 1.898 9.901 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.430 1.298 8.540 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.220 1.795 10.203 1.00 0.00 C ATOM 0 H VAL A1093 6.895 3.509 12.027 1.00 0.00 H new ATOM 0 HA VAL A1093 7.865 3.955 9.273 1.00 0.00 H new ATOM 0 HB VAL A1093 7.185 1.331 10.652 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.767 0.262 8.515 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.356 1.335 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A1093 7.948 1.866 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.531 0.752 10.146 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.781 2.381 9.475 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.415 2.178 11.205 1.00 0.00 H new ATOM 399 N ILE A1094 5.503 4.193 8.547 1.00 0.00 N ATOM 400 CA ILE A1094 4.122 4.412 8.157 1.00 0.00 C ATOM 401 C ILE A1094 3.814 3.721 6.839 1.00 0.00 C ATOM 402 O ILE A1094 4.523 3.893 5.849 1.00 0.00 O ATOM 403 CB ILE A1094 3.785 5.910 8.010 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.343 6.710 9.189 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.275 6.094 7.912 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.111 8.202 9.075 1.00 0.00 C ATOM 0 H ILE A1094 6.193 4.647 7.949 1.00 0.00 H new ATOM 0 HA ILE A1094 3.512 3.991 8.956 1.00 0.00 H new ATOM 0 HB ILE A1094 4.249 6.283 7.097 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.886 6.349 10.110 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.414 6.523 9.270 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.044 7.154 7.808 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.898 5.554 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.802 5.706 8.814 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.533 8.703 9.946 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.592 8.577 8.172 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.040 8.401 9.025 1.00 0.00 H new ATOM 418 N ILE A1095 2.756 2.937 6.837 1.00 0.00 N ATOM 419 CA ILE A1095 2.254 2.338 5.618 1.00 0.00 C ATOM 420 C ILE A1095 1.273 3.310 4.969 1.00 0.00 C ATOM 421 O ILE A1095 0.224 3.612 5.540 1.00 0.00 O ATOM 422 CB ILE A1095 1.545 0.991 5.894 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.533 -0.026 6.461 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.887 0.448 4.631 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.683 -0.344 5.526 1.00 0.00 C ATOM 0 H ILE A1095 2.223 2.698 7.673 1.00 0.00 H new ATOM 0 HA ILE A1095 3.095 2.137 4.955 1.00 0.00 H new ATOM 0 HB ILE A1095 0.763 1.167 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.934 0.355 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.999 -0.948 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.396 -0.499 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.148 1.163 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.646 0.291 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.343 -1.073 5.996 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.292 -0.755 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.242 0.567 5.313 1.00 0.00 H new ATOM 437 N VAL A1096 1.619 3.808 3.795 1.00 0.00 N ATOM 438 CA VAL A1096 0.811 4.819 3.129 1.00 0.00 C ATOM 439 C VAL A1096 -0.345 4.162 2.383 1.00 0.00 C ATOM 440 O VAL A1096 -0.143 3.222 1.617 1.00 0.00 O ATOM 441 CB VAL A1096 1.652 5.653 2.139 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.861 6.847 1.625 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.950 6.111 2.782 1.00 0.00 C ATOM 0 H VAL A1096 2.455 3.529 3.281 1.00 0.00 H new ATOM 0 HA VAL A1096 0.421 5.487 3.897 1.00 0.00 H new ATOM 0 HB VAL A1096 1.898 5.015 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.476 7.418 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.036 6.497 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.576 7.483 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.525 6.697 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.727 6.724 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.531 5.241 3.089 1.00 0.00 H new ATOM 453 N THR A1097 -1.550 4.652 2.618 1.00 0.00 N ATOM 454 CA THR A1097 -2.735 4.102 1.985 1.00 0.00 C ATOM 455 C THR A1097 -3.260 5.028 0.893 1.00 0.00 C ATOM 456 O THR A1097 -4.000 4.598 0.006 1.00 0.00 O ATOM 457 CB THR A1097 -3.844 3.851 3.022 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.970 4.990 3.885 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.541 2.612 3.846 1.00 0.00 C ATOM 0 H THR A1097 -1.733 5.434 3.246 1.00 0.00 H new ATOM 0 HA THR A1097 -2.448 3.153 1.531 1.00 0.00 H new ATOM 0 HB THR A1097 -4.783 3.692 2.491 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.678 4.826 4.542 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.338 2.454 4.572 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.473 1.745 3.188 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.594 2.746 4.370 1.00 0.00 H new ATOM 467 N GLY A1098 -2.873 6.298 0.959 1.00 0.00 N ATOM 468 CA GLY A1098 -3.325 7.262 -0.021 1.00 0.00 C ATOM 469 C GLY A1098 -2.638 8.603 0.126 1.00 0.00 C ATOM 470 O GLY A1098 -1.691 8.746 0.901 1.00 0.00 O ATOM 0 H GLY A1098 -2.253 6.675 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.142 6.871 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.402 7.397 0.076 1.00 0.00 H new ATOM 474 N GLU A1099 -3.122 9.583 -0.615 1.00 0.00 N ATOM 475 CA GLU A1099 -2.581 10.926 -0.570 1.00 0.00 C ATOM 476 C GLU A1099 -3.728 11.916 -0.511 1.00 0.00 C ATOM 477 O GLU A1099 -4.847 11.604 -0.916 1.00 0.00 O ATOM 478 CB GLU A1099 -1.735 11.242 -1.810 1.00 0.00 C ATOM 479 CG GLU A1099 -0.645 10.231 -2.124 1.00 0.00 C ATOM 480 CD GLU A1099 -1.123 9.136 -3.056 1.00 0.00 C ATOM 481 OE1 GLU A1099 -1.404 9.435 -4.236 1.00 0.00 O ATOM 482 OE2 GLU A1099 -1.204 7.972 -2.622 1.00 0.00 O ATOM 0 H GLU A1099 -3.901 9.469 -1.264 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.944 11.001 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.397 11.318 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.273 12.220 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A1099 0.203 10.744 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.289 9.784 -1.196 1.00 0.00 H new ATOM 489 N GLU A1100 -3.453 13.101 -0.012 1.00 0.00 N ATOM 490 CA GLU A1100 -4.447 14.164 -0.035 1.00 0.00 C ATOM 491 C GLU A1100 -3.811 15.422 -0.581 1.00 0.00 C ATOM 492 O GLU A1100 -4.429 16.195 -1.310 1.00 0.00 O ATOM 493 CB GLU A1100 -5.023 14.422 1.354 1.00 0.00 C ATOM 494 CG GLU A1100 -6.250 15.316 1.324 1.00 0.00 C ATOM 495 CD GLU A1100 -6.797 15.606 2.699 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.473 14.732 3.274 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.560 16.716 3.215 1.00 0.00 O ATOM 0 H GLU A1100 -2.561 13.356 0.411 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.272 13.856 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.283 13.470 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.259 14.882 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.997 16.256 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.025 14.841 0.723 1.00 0.00 H new ATOM 504 N ASP A1101 -2.560 15.605 -0.224 1.00 0.00 N ATOM 505 CA ASP A1101 -1.754 16.668 -0.767 1.00 0.00 C ATOM 506 C ASP A1101 -0.459 16.061 -1.270 1.00 0.00 C ATOM 507 O ASP A1101 -0.193 14.886 -1.021 1.00 0.00 O ATOM 508 CB ASP A1101 -1.470 17.723 0.307 1.00 0.00 C ATOM 509 CG ASP A1101 -0.750 18.940 -0.227 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.393 19.764 -0.902 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.467 19.071 0.019 1.00 0.00 O ATOM 0 H ASP A1101 -2.074 15.017 0.453 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.280 17.161 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.412 18.035 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.871 17.273 1.099 1.00 0.00 H new ATOM 516 N GLN A1102 0.339 16.838 -1.963 1.00 0.00 N ATOM 517 CA GLN A1102 1.647 16.379 -2.399 1.00 0.00 C ATOM 518 C GLN A1102 2.561 16.237 -1.194 1.00 0.00 C ATOM 519 O GLN A1102 3.444 15.381 -1.150 1.00 0.00 O ATOM 520 CB GLN A1102 2.245 17.361 -3.411 1.00 0.00 C ATOM 521 CG GLN A1102 3.750 17.232 -3.576 1.00 0.00 C ATOM 522 CD GLN A1102 4.301 18.199 -4.598 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.644 19.334 -4.268 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.398 17.754 -5.841 1.00 0.00 N ATOM 0 H GLN A1102 0.110 17.793 -2.240 1.00 0.00 H new ATOM 0 HA GLN A1102 1.544 15.409 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.768 17.206 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A1102 2.009 18.378 -3.099 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.235 17.407 -2.616 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.994 16.213 -3.875 1.00 0.00 H new ATOM 0 HE21 GLN A1102 4.101 16.805 -6.068 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.770 18.360 -6.572 1.00 0.00 H new ATOM 533 N GLU A1103 2.318 17.076 -0.205 1.00 0.00 N ATOM 534 CA GLU A1103 3.166 17.145 0.961 1.00 0.00 C ATOM 535 C GLU A1103 2.447 16.600 2.192 1.00 0.00 C ATOM 536 O GLU A1103 2.968 16.648 3.305 1.00 0.00 O ATOM 537 CB GLU A1103 3.577 18.593 1.165 1.00 0.00 C ATOM 538 CG GLU A1103 4.863 18.746 1.927 1.00 0.00 C ATOM 539 CD GLU A1103 5.350 20.178 1.954 1.00 0.00 C ATOM 540 OE1 GLU A1103 4.677 21.053 1.360 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.405 20.435 2.564 1.00 0.00 O ATOM 0 H GLU A1103 1.531 17.724 -0.190 1.00 0.00 H new ATOM 0 HA GLU A1103 4.052 16.528 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.680 19.074 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.783 19.117 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.721 18.394 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.627 18.114 1.475 1.00 0.00 H new ATOM 548 N TRP A1104 1.252 16.075 1.974 1.00 0.00 N ATOM 549 CA TRP A1104 0.461 15.471 3.043 1.00 0.00 C ATOM 550 C TRP A1104 -0.180 14.172 2.564 1.00 0.00 C ATOM 551 O TRP A1104 -1.141 14.179 1.778 1.00 0.00 O ATOM 552 CB TRP A1104 -0.615 16.437 3.548 1.00 0.00 C ATOM 553 CG TRP A1104 -0.074 17.574 4.364 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.437 18.746 3.895 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.010 17.647 5.795 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.826 19.545 4.939 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.576 18.894 6.116 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.345 16.783 6.835 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.800 19.298 7.432 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.119 17.186 8.141 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.447 18.434 8.427 1.00 0.00 C ATOM 0 H TRP A1104 0.802 16.054 1.059 1.00 0.00 H new ATOM 0 HA TRP A1104 1.133 15.248 3.872 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.157 16.841 2.693 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.335 15.882 4.149 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.523 19.008 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.236 20.475 4.852 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.787 15.820 6.624 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.237 20.260 7.655 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.384 16.525 8.953 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.607 18.719 9.456 1.00 0.00 H new ATOM 572 N TRP A1105 0.359 13.058 3.031 1.00 0.00 N ATOM 573 CA TRP A1105 -0.114 11.747 2.614 1.00 0.00 C ATOM 574 C TRP A1105 -0.907 11.077 3.720 1.00 0.00 C ATOM 575 O TRP A1105 -0.874 11.503 4.872 1.00 0.00 O ATOM 576 CB TRP A1105 1.058 10.856 2.201 1.00 0.00 C ATOM 577 CG TRP A1105 1.690 11.280 0.915 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.397 12.395 0.193 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.716 10.595 0.197 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.174 12.453 -0.931 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.997 11.356 -0.956 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.425 9.414 0.416 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.960 10.970 -1.883 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.376 9.033 -0.503 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.636 9.806 -1.642 1.00 0.00 C ATOM 0 H TRP A1105 1.127 13.035 3.702 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.769 11.889 1.755 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.810 10.866 2.990 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.709 9.828 2.106 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.656 13.130 0.468 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.146 13.191 -1.635 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.231 8.810 1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.166 11.567 -2.759 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.932 8.121 -0.343 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.386 9.476 -2.345 1.00 0.00 H new ATOM 596 N ILE A1106 -1.606 10.019 3.358 1.00 0.00 N ATOM 597 CA ILE A1106 -2.490 9.338 4.277 1.00 0.00 C ATOM 598 C ILE A1106 -2.011 7.922 4.509 1.00 0.00 C ATOM 599 O ILE A1106 -1.641 7.227 3.564 1.00 0.00 O ATOM 600 CB ILE A1106 -3.916 9.283 3.712 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.364 10.677 3.288 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.874 8.696 4.740 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.585 10.659 2.408 1.00 0.00 C ATOM 0 H ILE A1106 -1.576 9.611 2.424 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.489 9.891 5.216 1.00 0.00 H new ATOM 0 HB ILE A1106 -3.923 8.636 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.572 11.272 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.548 11.170 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.881 8.664 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.556 7.686 4.998 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.872 9.317 5.636 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -5.855 11.680 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.373 10.090 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.413 10.194 2.944 1.00 0.00 H new ATOM 615 N GLY A1107 -2.005 7.499 5.755 1.00 0.00 N ATOM 616 CA GLY A1107 -1.616 6.143 6.052 1.00 0.00 C ATOM 617 C GLY A1107 -1.715 5.813 7.521 1.00 0.00 C ATOM 618 O GLY A1107 -2.329 6.548 8.293 1.00 0.00 O ATOM 0 H GLY A1107 -2.261 8.065 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.247 5.457 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.591 5.982 5.717 1.00 0.00 H new ATOM 622 N HIS A1108 -1.094 4.710 7.902 1.00 0.00 N ATOM 623 CA HIS A1108 -1.127 4.230 9.277 1.00 0.00 C ATOM 624 C HIS A1108 0.197 3.574 9.625 1.00 0.00 C ATOM 625 O HIS A1108 0.854 2.999 8.760 1.00 0.00 O ATOM 626 CB HIS A1108 -2.285 3.241 9.482 1.00 0.00 C ATOM 627 CG HIS A1108 -2.293 2.079 8.534 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.159 1.996 7.468 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.552 0.946 8.503 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.951 0.865 6.820 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.982 0.211 7.427 1.00 0.00 N ATOM 0 H HIS A1108 -0.553 4.121 7.269 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.288 5.081 9.939 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.243 2.860 10.502 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.227 3.780 9.382 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.769 0.672 9.195 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.484 0.532 5.942 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.611 -0.696 7.143 1.00 0.00 H new ATOM 640 N ILE A1109 0.586 3.667 10.883 1.00 0.00 N ATOM 641 CA ILE A1109 1.846 3.095 11.335 1.00 0.00 C ATOM 642 C ILE A1109 1.823 1.577 11.171 1.00 0.00 C ATOM 643 O ILE A1109 0.825 0.942 11.502 1.00 0.00 O ATOM 644 CB ILE A1109 2.137 3.453 12.809 1.00 0.00 C ATOM 645 CG1 ILE A1109 1.997 4.961 13.046 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.528 2.990 13.204 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.883 5.813 12.161 1.00 0.00 C ATOM 0 H ILE A1109 0.048 4.134 11.613 1.00 0.00 H new ATOM 0 HA ILE A1109 2.640 3.519 10.720 1.00 0.00 H new ATOM 0 HB ILE A1109 1.404 2.938 13.430 1.00 0.00 H new ATOM 0 HG12 ILE A1109 0.958 5.248 12.885 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.229 5.177 14.089 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.716 3.250 14.246 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.600 1.909 13.081 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.268 3.477 12.569 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.723 6.866 12.392 1.00 0.00 H new ATOM 0 HD12 ILE A1109 3.928 5.557 12.338 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.637 5.630 11.115 1.00 0.00 H new ATOM 659 N GLU A1110 2.896 1.002 10.641 1.00 0.00 N ATOM 660 CA GLU A1110 2.896 -0.413 10.276 1.00 0.00 C ATOM 661 C GLU A1110 2.548 -1.306 11.469 1.00 0.00 C ATOM 662 O GLU A1110 1.581 -2.075 11.415 1.00 0.00 O ATOM 663 CB GLU A1110 4.244 -0.815 9.675 1.00 0.00 C ATOM 664 CG GLU A1110 4.268 -2.245 9.159 1.00 0.00 C ATOM 665 CD GLU A1110 5.497 -2.556 8.333 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.577 -2.782 8.917 1.00 0.00 O ATOM 667 OE2 GLU A1110 5.382 -2.606 7.091 1.00 0.00 O ATOM 0 H GLU A1110 3.773 1.488 10.455 1.00 0.00 H new ATOM 0 HA GLU A1110 2.122 -0.557 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.487 -0.137 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.021 -0.695 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.222 -2.931 10.005 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.377 -2.423 8.556 1.00 0.00 H new ATOM 674 N GLY A1111 3.321 -1.189 12.543 1.00 0.00 N ATOM 675 CA GLY A1111 3.085 -2.000 13.726 1.00 0.00 C ATOM 676 C GLY A1111 2.007 -1.422 14.624 1.00 0.00 C ATOM 677 O GLY A1111 1.567 -2.068 15.576 1.00 0.00 O ATOM 0 H GLY A1111 4.109 -0.546 12.617 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.798 -3.006 13.421 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.013 -2.091 14.291 1.00 0.00 H new ATOM 681 N GLN A1112 1.590 -0.201 14.325 1.00 0.00 N ATOM 682 CA GLN A1112 0.542 0.467 15.085 1.00 0.00 C ATOM 683 C GLN A1112 -0.617 0.821 14.154 1.00 0.00 C ATOM 684 O GLN A1112 -0.809 1.986 13.800 1.00 0.00 O ATOM 685 CB GLN A1112 1.074 1.739 15.766 1.00 0.00 C ATOM 686 CG GLN A1112 2.042 1.501 16.925 1.00 0.00 C ATOM 687 CD GLN A1112 3.504 1.369 16.508 1.00 0.00 C ATOM 688 OE1 GLN A1112 3.830 0.868 15.434 1.00 0.00 O ATOM 689 NE2 GLN A1112 4.398 1.843 17.358 1.00 0.00 N ATOM 0 H GLN A1112 1.965 0.352 13.554 1.00 0.00 H new ATOM 0 HA GLN A1112 0.195 -0.212 15.864 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.574 2.351 15.016 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.226 2.316 16.135 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.952 2.325 17.633 1.00 0.00 H new ATOM 0 HG3 GLN A1112 1.744 0.594 17.451 1.00 0.00 H new ATOM 0 HE21 GLN A1112 4.095 2.253 18.241 1.00 0.00 H new ATOM 0 HE22 GLN A1112 5.391 1.799 17.131 1.00 0.00 H new ATOM 698 N PRO A1113 -1.418 -0.186 13.762 1.00 0.00 N ATOM 699 CA PRO A1113 -2.428 -0.043 12.703 1.00 0.00 C ATOM 700 C PRO A1113 -3.535 0.948 13.045 1.00 0.00 C ATOM 701 O PRO A1113 -4.147 1.535 12.150 1.00 0.00 O ATOM 702 CB PRO A1113 -3.015 -1.454 12.558 1.00 0.00 C ATOM 703 CG PRO A1113 -2.041 -2.358 13.232 1.00 0.00 C ATOM 704 CD PRO A1113 -1.416 -1.545 14.325 1.00 0.00 C ATOM 0 HA PRO A1113 -1.976 0.350 11.792 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.999 -1.520 13.022 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.139 -1.722 11.509 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.540 -3.238 13.637 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.287 -2.714 12.530 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.991 -1.601 15.250 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.407 -1.886 14.556 1.00 0.00 H new ATOM 712 N GLU A1114 -3.792 1.140 14.331 1.00 0.00 N ATOM 713 CA GLU A1114 -4.868 2.023 14.763 1.00 0.00 C ATOM 714 C GLU A1114 -4.418 3.469 14.781 1.00 0.00 C ATOM 715 O GLU A1114 -5.220 4.377 15.008 1.00 0.00 O ATOM 716 CB GLU A1114 -5.376 1.618 16.137 1.00 0.00 C ATOM 717 CG GLU A1114 -5.838 0.184 16.174 1.00 0.00 C ATOM 718 CD GLU A1114 -6.436 -0.207 17.503 1.00 0.00 C ATOM 719 OE1 GLU A1114 -5.681 -0.328 18.487 1.00 0.00 O ATOM 720 OE2 GLU A1114 -7.669 -0.403 17.568 1.00 0.00 O ATOM 0 H GLU A1114 -3.274 0.699 15.091 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.682 1.927 14.044 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -4.584 1.762 16.872 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -6.200 2.271 16.425 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -6.577 0.025 15.388 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -4.994 -0.470 15.955 1.00 0.00 H new ATOM 727 N ARG A1115 -3.138 3.690 14.549 1.00 0.00 N ATOM 728 CA ARG A1115 -2.640 5.036 14.419 1.00 0.00 C ATOM 729 C ARG A1115 -2.607 5.428 12.952 1.00 0.00 C ATOM 730 O ARG A1115 -1.624 5.171 12.256 1.00 0.00 O ATOM 731 CB ARG A1115 -1.254 5.194 15.046 1.00 0.00 C ATOM 732 CG ARG A1115 -1.261 5.218 16.565 1.00 0.00 C ATOM 733 CD ARG A1115 0.082 5.679 17.108 1.00 0.00 C ATOM 734 NE ARG A1115 0.074 5.836 18.561 1.00 0.00 N ATOM 735 CZ ARG A1115 0.001 7.016 19.186 1.00 0.00 C ATOM 736 NH1 ARG A1115 -0.100 8.144 18.485 1.00 0.00 N ATOM 737 NH2 ARG A1115 0.025 7.070 20.512 1.00 0.00 N ATOM 0 H ARG A1115 -2.434 2.959 14.448 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.315 5.700 14.959 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.619 4.375 14.709 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.804 6.117 14.681 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.048 5.884 16.918 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.490 4.223 16.947 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.850 4.958 16.828 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.351 6.628 16.645 1.00 0.00 H new ATOM 0 HE ARG A1115 0.127 4.994 19.134 1.00 0.00 H new ATOM 0 HH11 ARG A1115 -0.122 8.111 17.466 1.00 0.00 H new ATOM 0 HH12 ARG A1115 -0.155 9.041 18.967 1.00 0.00 H new ATOM 0 HH21 ARG A1115 0.099 6.210 21.056 1.00 0.00 H new ATOM 0 HH22 ARG A1115 -0.031 7.971 20.987 1.00 0.00 H new ATOM 751 N LYS A1116 -3.692 6.030 12.484 1.00 0.00 N ATOM 752 CA LYS A1116 -3.796 6.427 11.093 1.00 0.00 C ATOM 753 C LYS A1116 -4.270 7.870 10.979 1.00 0.00 C ATOM 754 O LYS A1116 -4.820 8.433 11.930 1.00 0.00 O ATOM 755 CB LYS A1116 -4.742 5.495 10.317 1.00 0.00 C ATOM 756 CG LYS A1116 -6.220 5.647 10.660 1.00 0.00 C ATOM 757 CD LYS A1116 -6.574 5.001 11.988 1.00 0.00 C ATOM 758 CE LYS A1116 -8.057 5.129 12.293 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.905 4.555 11.213 1.00 0.00 N ATOM 0 H LYS A1116 -4.511 6.253 13.050 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.803 6.348 10.652 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.612 5.676 9.250 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.445 4.463 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.475 6.706 10.694 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.822 5.199 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.296 3.947 11.967 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.996 5.467 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -8.278 4.624 13.233 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.309 6.181 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.868 4.399 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.938 5.215 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.502 3.649 10.900 1.00 0.00 H new ATOM 773 N GLY A1117 -4.043 8.454 9.816 1.00 0.00 N ATOM 774 CA GLY A1117 -4.393 9.836 9.579 1.00 0.00 C ATOM 775 C GLY A1117 -3.565 10.416 8.456 1.00 0.00 C ATOM 776 O GLY A1117 -2.994 9.668 7.657 1.00 0.00 O ATOM 0 H GLY A1117 -3.614 7.985 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.452 9.910 9.331 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.237 10.416 10.489 1.00 0.00 H new ATOM 780 N VAL A1118 -3.490 11.734 8.387 1.00 0.00 N ATOM 781 CA VAL A1118 -2.699 12.391 7.359 1.00 0.00 C ATOM 782 C VAL A1118 -1.424 12.978 7.962 1.00 0.00 C ATOM 783 O VAL A1118 -1.459 13.622 9.011 1.00 0.00 O ATOM 784 CB VAL A1118 -3.509 13.494 6.650 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.718 14.090 5.498 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.836 12.938 6.152 1.00 0.00 C ATOM 0 H VAL A1118 -3.965 12.369 9.028 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.427 11.641 6.616 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.710 14.287 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.310 14.866 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.793 14.524 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.483 13.309 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.397 13.728 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.649 12.126 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.412 12.561 6.997 1.00 0.00 H new ATOM 796 N PHE A1119 -0.305 12.730 7.301 1.00 0.00 N ATOM 797 CA PHE A1119 1.002 13.143 7.807 1.00 0.00 C ATOM 798 C PHE A1119 1.793 13.914 6.747 1.00 0.00 C ATOM 799 O PHE A1119 1.633 13.675 5.547 1.00 0.00 O ATOM 800 CB PHE A1119 1.787 11.910 8.279 1.00 0.00 C ATOM 801 CG PHE A1119 1.817 10.781 7.286 1.00 0.00 C ATOM 802 CD1 PHE A1119 2.817 10.699 6.328 1.00 0.00 C ATOM 803 CD2 PHE A1119 0.838 9.803 7.311 1.00 0.00 C ATOM 804 CE1 PHE A1119 2.839 9.658 5.419 1.00 0.00 C ATOM 805 CE2 PHE A1119 0.855 8.764 6.405 1.00 0.00 C ATOM 806 CZ PHE A1119 1.854 8.691 5.457 1.00 0.00 C ATOM 0 H PHE A1119 -0.272 12.241 6.406 1.00 0.00 H new ATOM 0 HA PHE A1119 0.848 13.815 8.652 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.811 12.209 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.349 11.549 9.210 1.00 0.00 H new ATOM 0 HD1 PHE A1119 3.586 11.456 6.292 1.00 0.00 H new ATOM 0 HD2 PHE A1119 0.051 9.854 8.049 1.00 0.00 H new ATOM 0 HE1 PHE A1119 3.625 9.601 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A1119 0.086 8.007 6.438 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.866 7.879 4.745 1.00 0.00 H new ATOM 816 N PRO A1120 2.653 14.858 7.179 1.00 0.00 N ATOM 817 CA PRO A1120 3.439 15.685 6.268 1.00 0.00 C ATOM 818 C PRO A1120 4.684 14.975 5.743 1.00 0.00 C ATOM 819 O PRO A1120 5.508 14.468 6.514 1.00 0.00 O ATOM 820 CB PRO A1120 3.841 16.876 7.136 1.00 0.00 C ATOM 821 CG PRO A1120 3.926 16.328 8.516 1.00 0.00 C ATOM 822 CD PRO A1120 2.925 15.195 8.593 1.00 0.00 C ATOM 0 HA PRO A1120 2.871 15.950 5.376 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.796 17.294 6.817 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.105 17.678 7.073 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.933 15.970 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.698 17.098 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.330 14.341 9.136 1.00 0.00 H new ATOM 0 HD3 PRO A1120 2.016 15.500 9.112 1.00 0.00 H new ATOM 830 N VAL A1121 4.827 14.976 4.423 1.00 0.00 N ATOM 831 CA VAL A1121 5.982 14.382 3.764 1.00 0.00 C ATOM 832 C VAL A1121 7.256 15.165 4.116 1.00 0.00 C ATOM 833 O VAL A1121 8.377 14.681 3.951 1.00 0.00 O ATOM 834 CB VAL A1121 5.779 14.333 2.228 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.964 13.676 1.534 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.485 13.597 1.881 1.00 0.00 C ATOM 0 H VAL A1121 4.148 15.387 3.782 1.00 0.00 H new ATOM 0 HA VAL A1121 6.091 13.358 4.121 1.00 0.00 H new ATOM 0 HB VAL A1121 5.706 15.360 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.791 13.657 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.870 14.244 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.081 12.656 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.359 13.573 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.532 12.578 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.639 14.115 2.333 1.00 0.00 H new ATOM 846 N SER A1122 7.058 16.371 4.642 1.00 0.00 N ATOM 847 CA SER A1122 8.149 17.249 5.052 1.00 0.00 C ATOM 848 C SER A1122 9.013 16.618 6.149 1.00 0.00 C ATOM 849 O SER A1122 10.218 16.862 6.224 1.00 0.00 O ATOM 850 CB SER A1122 7.561 18.570 5.549 1.00 0.00 C ATOM 851 OG SER A1122 6.393 18.907 4.815 1.00 0.00 O ATOM 0 H SER A1122 6.131 16.768 4.796 1.00 0.00 H new ATOM 0 HA SER A1122 8.794 17.419 4.190 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.320 18.491 6.609 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.301 19.364 5.449 1.00 0.00 H new ATOM 0 HG SER A1122 6.639 19.464 4.047 1.00 0.00 H new ATOM 857 N PHE A1123 8.396 15.797 6.991 1.00 0.00 N ATOM 858 CA PHE A1123 9.080 15.230 8.146 1.00 0.00 C ATOM 859 C PHE A1123 9.342 13.733 7.931 1.00 0.00 C ATOM 860 O PHE A1123 9.829 13.037 8.826 1.00 0.00 O ATOM 861 CB PHE A1123 8.237 15.413 9.422 1.00 0.00 C ATOM 862 CG PHE A1123 7.910 16.839 9.829 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.650 17.830 8.891 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.826 17.173 11.175 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.320 19.113 9.279 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.500 18.458 11.571 1.00 0.00 C ATOM 867 CZ PHE A1123 7.246 19.430 10.619 1.00 0.00 C ATOM 0 H PHE A1123 7.422 15.509 6.895 1.00 0.00 H new ATOM 0 HA PHE A1123 10.029 15.754 8.263 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.299 14.874 9.289 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.764 14.936 10.248 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.707 17.592 7.839 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.018 16.418 11.923 1.00 0.00 H new ATOM 0 HE1 PHE A1123 7.120 19.868 8.533 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.444 18.702 12.622 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.991 20.434 10.925 1.00 0.00 H new ATOM 877 N VAL A1124 9.011 13.232 6.746 1.00 0.00 N ATOM 878 CA VAL A1124 9.174 11.805 6.461 1.00 0.00 C ATOM 879 C VAL A1124 9.908 11.573 5.140 1.00 0.00 C ATOM 880 O VAL A1124 10.218 12.515 4.413 1.00 0.00 O ATOM 881 CB VAL A1124 7.821 11.052 6.437 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.184 11.037 7.814 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.863 11.664 5.433 1.00 0.00 C ATOM 0 H VAL A1124 8.633 13.781 5.974 1.00 0.00 H new ATOM 0 HA VAL A1124 9.775 11.404 7.277 1.00 0.00 H new ATOM 0 HB VAL A1124 8.028 10.026 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.235 10.502 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.850 10.537 8.518 1.00 0.00 H new ATOM 0 HG13 VAL A1124 7.009 12.061 8.145 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.924 11.111 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.674 12.704 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.302 11.617 4.436 1.00 0.00 H new ATOM 893 N HIS A1125 10.205 10.315 4.849 1.00 0.00 N ATOM 894 CA HIS A1125 10.900 9.950 3.619 1.00 0.00 C ATOM 895 C HIS A1125 10.275 8.708 3.007 1.00 0.00 C ATOM 896 O HIS A1125 9.863 7.796 3.723 1.00 0.00 O ATOM 897 CB HIS A1125 12.387 9.709 3.891 1.00 0.00 C ATOM 898 CG HIS A1125 13.281 10.818 3.416 1.00 0.00 C ATOM 899 ND1 HIS A1125 12.882 12.136 3.336 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.566 10.792 2.986 1.00 0.00 C ATOM 901 CE1 HIS A1125 13.882 12.868 2.878 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.912 12.077 2.659 1.00 0.00 N ATOM 0 H HIS A1125 9.975 9.524 5.451 1.00 0.00 H new ATOM 0 HA HIS A1125 10.805 10.776 2.915 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.533 9.572 4.963 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.689 8.780 3.407 1.00 0.00 H new ATOM 0 HD1 HIS A1125 11.960 12.490 3.590 1.00 0.00 H new ATOM 0 HD2 HIS A1125 15.200 9.920 2.914 1.00 0.00 H new ATOM 0 HE1 HIS A1125 13.859 13.935 2.711 1.00 0.00 H new ATOM 911 N ILE A1126 10.214 8.680 1.684 1.00 0.00 N ATOM 912 CA ILE A1126 9.592 7.577 0.966 1.00 0.00 C ATOM 913 C ILE A1126 10.572 6.420 0.801 1.00 0.00 C ATOM 914 O ILE A1126 11.674 6.589 0.275 1.00 0.00 O ATOM 915 CB ILE A1126 9.054 8.024 -0.423 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.724 8.778 -0.280 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.877 6.832 -1.360 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.830 10.126 0.408 1.00 0.00 C ATOM 0 H ILE A1126 10.590 9.413 1.083 1.00 0.00 H new ATOM 0 HA ILE A1126 8.743 7.241 1.562 1.00 0.00 H new ATOM 0 HB ILE A1126 9.795 8.696 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.297 8.924 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.027 8.154 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.500 7.178 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.837 6.337 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.168 6.129 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.843 10.585 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.225 9.991 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.499 10.773 -0.160 1.00 0.00 H new ATOM 930 N LEU A1127 10.171 5.251 1.281 1.00 0.00 N ATOM 931 CA LEU A1127 10.986 4.054 1.162 1.00 0.00 C ATOM 932 C LEU A1127 10.353 3.089 0.173 1.00 0.00 C ATOM 933 O LEU A1127 10.835 2.939 -0.947 1.00 0.00 O ATOM 934 CB LEU A1127 11.152 3.364 2.523 1.00 0.00 C ATOM 935 CG LEU A1127 12.269 3.903 3.424 1.00 0.00 C ATOM 936 CD1 LEU A1127 12.049 5.365 3.772 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.360 3.069 4.690 1.00 0.00 C ATOM 0 H LEU A1127 9.281 5.108 1.759 1.00 0.00 H new ATOM 0 HA LEU A1127 11.971 4.349 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.209 3.441 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.334 2.303 2.349 1.00 0.00 H new ATOM 0 HG LEU A1127 13.208 3.832 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.860 5.713 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A1127 12.029 5.958 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A1127 11.100 5.475 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.156 3.458 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A1127 11.412 3.116 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.578 2.033 4.429 1.00 0.00 H new ATOM 949 N SER A1128 9.254 2.467 0.592 1.00 0.00 N ATOM 950 CA SER A1128 8.582 1.448 -0.206 1.00 0.00 C ATOM 951 C SER A1128 9.577 0.392 -0.685 1.00 0.00 C ATOM 952 O SER A1128 9.531 -0.043 -1.840 1.00 0.00 O ATOM 953 CB SER A1128 7.860 2.099 -1.387 1.00 0.00 C ATOM 954 OG SER A1128 6.927 3.066 -0.930 1.00 0.00 O ATOM 0 H SER A1128 8.807 2.654 1.489 1.00 0.00 H new ATOM 0 HA SER A1128 7.841 0.947 0.417 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.586 2.571 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A1128 7.345 1.336 -1.971 1.00 0.00 H new ATOM 0 HG SER A1128 7.062 3.906 -1.417 1.00 0.00 H new ATOM 960 N ASP A1129 10.476 0.006 0.221 1.00 0.00 N ATOM 961 CA ASP A1129 11.511 -0.989 -0.052 1.00 0.00 C ATOM 962 C ASP A1129 12.466 -0.502 -1.133 1.00 0.00 C ATOM 963 O ASP A1129 12.363 -0.971 -2.285 1.00 0.00 O ATOM 964 CB ASP A1129 10.897 -2.337 -0.451 1.00 0.00 C ATOM 965 CG ASP A1129 10.203 -3.031 0.701 1.00 0.00 C ATOM 966 OD1 ASP A1129 8.994 -2.793 0.911 1.00 0.00 O ATOM 967 OD2 ASP A1129 10.861 -3.835 1.396 1.00 0.00 O ATOM 968 OXT ASP A1129 13.325 0.353 -0.825 1.00 0.00 O ATOM 0 H ASP A1129 10.506 0.378 1.170 1.00 0.00 H new ATOM 0 HA ASP A1129 12.077 -1.132 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A1129 10.182 -2.180 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A1129 11.681 -2.986 -0.841 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.556 8.386 12.755 1.00 0.00 N ATOM 975 CA CYS B1578 18.417 9.499 12.308 1.00 0.00 C ATOM 976 C CYS B1578 17.587 10.602 11.671 1.00 0.00 C ATOM 977 O CYS B1578 16.904 10.382 10.669 1.00 0.00 O ATOM 978 CB CYS B1578 19.454 8.992 11.309 1.00 0.00 C ATOM 979 SG CYS B1578 20.569 7.740 11.988 1.00 0.00 S ATOM 0 HA CYS B1578 18.926 9.907 13.181 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.938 8.575 10.444 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.044 9.836 10.952 1.00 0.00 H new ATOM 0 HG CYS B1578 21.412 7.367 11.071 1.00 0.00 H new ATOM 987 N ILE B1579 17.647 11.783 12.265 1.00 0.00 N ATOM 988 CA ILE B1579 16.932 12.942 11.756 1.00 0.00 C ATOM 989 C ILE B1579 17.671 13.548 10.567 1.00 0.00 C ATOM 990 O ILE B1579 18.887 13.745 10.614 1.00 0.00 O ATOM 991 CB ILE B1579 16.752 14.011 12.857 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.857 13.479 13.980 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.179 15.297 12.279 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.618 14.483 15.086 1.00 0.00 C ATOM 0 H ILE B1579 18.190 11.965 13.109 1.00 0.00 H new ATOM 0 HA ILE B1579 15.947 12.607 11.431 1.00 0.00 H new ATOM 0 HB ILE B1579 17.733 14.237 13.274 1.00 0.00 H new ATOM 0 HG12 ILE B1579 14.898 13.179 13.558 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.312 12.584 14.404 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.062 16.033 13.074 1.00 0.00 H new ATOM 0 HG22 ILE B1579 16.856 15.688 11.520 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.208 15.092 11.828 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.976 14.040 15.847 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.571 14.765 15.534 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.134 15.369 14.675 1.00 0.00 H new ATOM 1006 N ILE B1580 16.937 13.825 9.502 1.00 0.00 N ATOM 1007 CA ILE B1580 17.518 14.404 8.303 1.00 0.00 C ATOM 1008 C ILE B1580 17.485 15.930 8.389 1.00 0.00 C ATOM 1009 O ILE B1580 16.454 16.543 8.172 1.00 0.00 O ATOM 1010 CB ILE B1580 16.778 13.887 7.034 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.449 12.618 6.503 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.684 14.942 5.941 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.481 11.491 7.510 1.00 0.00 C ATOM 0 H ILE B1580 15.933 13.657 9.444 1.00 0.00 H new ATOM 0 HA ILE B1580 18.560 14.093 8.225 1.00 0.00 H new ATOM 0 HB ILE B1580 15.757 13.652 7.334 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.921 12.283 5.610 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.469 12.854 6.200 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.159 14.528 5.080 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.139 15.808 6.317 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.687 15.247 5.642 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.970 10.623 7.069 1.00 0.00 H new ATOM 0 HD12 ILE B1580 18.034 11.809 8.394 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.462 11.228 7.794 1.00 0.00 H new ATOM 1025 N SER B1581 18.640 16.514 8.703 1.00 0.00 N ATOM 1026 CA SER B1581 18.790 17.958 8.905 1.00 0.00 C ATOM 1027 C SER B1581 18.211 18.398 10.259 1.00 0.00 C ATOM 1028 O SER B1581 18.257 17.648 11.238 1.00 0.00 O ATOM 1029 CB SER B1581 18.133 18.742 7.762 1.00 0.00 C ATOM 1030 OG SER B1581 18.590 18.297 6.496 1.00 0.00 O ATOM 0 H SER B1581 19.509 15.994 8.826 1.00 0.00 H new ATOM 0 HA SER B1581 19.857 18.179 8.907 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.050 18.631 7.819 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.351 19.804 7.876 1.00 0.00 H new ATOM 0 HG SER B1581 18.151 18.815 5.789 1.00 0.00 H new ATOM 1036 N ALA B1582 17.696 19.626 10.311 1.00 0.00 N ATOM 1037 CA ALA B1582 17.056 20.159 11.513 1.00 0.00 C ATOM 1038 C ALA B1582 15.593 20.470 11.221 1.00 0.00 C ATOM 1039 O ALA B1582 15.258 20.797 10.077 1.00 0.00 O ATOM 1040 CB ALA B1582 17.783 21.397 12.006 1.00 0.00 C ATOM 0 H ALA B1582 17.710 20.276 9.525 1.00 0.00 H new ATOM 0 HA ALA B1582 17.106 19.409 12.302 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.290 21.776 12.901 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.816 21.142 12.242 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.766 22.162 11.230 1.00 0.00 H new ATOM 1046 N MET B1583 14.749 20.397 12.258 1.00 0.00 N ATOM 1047 CA MET B1583 13.286 20.357 12.098 1.00 0.00 C ATOM 1048 C MET B1583 12.764 21.308 11.027 1.00 0.00 C ATOM 1049 O MET B1583 13.048 22.509 11.038 1.00 0.00 O ATOM 1050 CB MET B1583 12.577 20.626 13.433 1.00 0.00 C ATOM 1051 CG MET B1583 11.087 20.913 13.285 1.00 0.00 C ATOM 1052 SD MET B1583 10.178 20.738 14.831 1.00 0.00 S ATOM 1053 CE MET B1583 10.178 18.955 15.008 1.00 0.00 C ATOM 0 H MET B1583 15.058 20.364 13.230 1.00 0.00 H new ATOM 0 HA MET B1583 13.054 19.347 11.761 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.709 19.763 14.086 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.055 21.474 13.924 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.954 21.926 12.905 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.664 20.236 12.543 1.00 0.00 H new ATOM 0 HE1 MET B1583 9.381 18.657 15.689 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.015 18.493 14.034 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.138 18.629 15.408 1.00 0.00 H new ATOM 1063 N PRO B1584 11.986 20.752 10.085 1.00 0.00 N ATOM 1064 CA PRO B1584 11.362 21.511 9.026 1.00 0.00 C ATOM 1065 C PRO B1584 10.107 22.188 9.534 1.00 0.00 C ATOM 1066 O PRO B1584 9.780 22.110 10.718 1.00 0.00 O ATOM 1067 CB PRO B1584 11.032 20.452 7.975 1.00 0.00 C ATOM 1068 CG PRO B1584 10.820 19.200 8.749 1.00 0.00 C ATOM 1069 CD PRO B1584 11.630 19.327 10.011 1.00 0.00 C ATOM 0 HA PRO B1584 11.995 22.307 8.633 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.141 20.722 7.408 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.845 20.340 7.257 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.764 19.062 8.980 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.136 18.331 8.172 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.055 19.017 10.883 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.520 18.698 9.975 1.00 0.00 H new ATOM 1077 N THR B1585 9.401 22.839 8.650 1.00 0.00 N ATOM 1078 CA THR B1585 8.233 23.583 9.043 1.00 0.00 C ATOM 1079 C THR B1585 6.994 22.887 8.527 1.00 0.00 C ATOM 1080 O THR B1585 6.985 22.381 7.404 1.00 0.00 O ATOM 1081 CB THR B1585 8.285 25.028 8.505 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.516 25.655 8.896 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.115 25.852 9.024 1.00 0.00 C ATOM 0 H THR B1585 9.613 22.870 7.653 1.00 0.00 H new ATOM 0 HA THR B1585 8.204 23.629 10.132 1.00 0.00 H new ATOM 0 HB THR B1585 8.223 24.981 7.418 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.541 26.571 8.549 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.179 26.865 8.628 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.178 25.396 8.704 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.148 25.886 10.113 1.00 0.00 H new ATOM 1091 N LYS B1586 5.971 22.826 9.363 1.00 0.00 N ATOM 1092 CA LYS B1586 4.693 22.302 8.947 1.00 0.00 C ATOM 1093 C LYS B1586 4.190 23.150 7.793 1.00 0.00 C ATOM 1094 O LYS B1586 3.705 24.263 7.990 1.00 0.00 O ATOM 1095 CB LYS B1586 3.700 22.332 10.101 1.00 0.00 C ATOM 1096 CG LYS B1586 2.614 21.281 9.993 1.00 0.00 C ATOM 1097 CD LYS B1586 1.480 21.572 10.955 1.00 0.00 C ATOM 1098 CE LYS B1586 1.969 21.708 12.387 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.928 22.280 13.283 1.00 0.00 N ATOM 0 H LYS B1586 6.007 23.135 10.334 1.00 0.00 H new ATOM 0 HA LYS B1586 4.801 21.264 8.632 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.239 22.190 11.038 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.237 23.318 10.146 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.232 21.251 8.973 1.00 0.00 H new ATOM 0 HG3 LYS B1586 3.032 20.297 10.205 1.00 0.00 H new ATOM 0 HD2 LYS B1586 0.977 22.491 10.655 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.742 20.772 10.898 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.270 20.730 12.761 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.854 22.344 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.195 23.248 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.014 22.299 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.845 21.694 14.138 1.00 0.00 H new ATOM 1113 N SER B1587 4.328 22.613 6.596 1.00 0.00 N ATOM 1114 CA SER B1587 4.085 23.357 5.361 1.00 0.00 C ATOM 1115 C SER B1587 2.599 23.662 5.160 1.00 0.00 C ATOM 1116 O SER B1587 2.198 24.212 4.133 1.00 0.00 O ATOM 1117 CB SER B1587 4.635 22.544 4.187 1.00 0.00 C ATOM 1118 OG SER B1587 4.573 23.251 2.961 1.00 0.00 O ATOM 0 H SER B1587 4.613 21.645 6.445 1.00 0.00 H new ATOM 0 HA SER B1587 4.594 24.319 5.423 1.00 0.00 H new ATOM 0 HB2 SER B1587 5.670 22.270 4.392 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.071 21.616 4.096 1.00 0.00 H new ATOM 0 HG SER B1587 4.680 22.624 2.216 1.00 0.00 H new ATOM 1124 N SER B1588 1.805 23.318 6.171 1.00 0.00 N ATOM 1125 CA SER B1588 0.360 23.474 6.142 1.00 0.00 C ATOM 1126 C SER B1588 -0.260 22.525 5.129 1.00 0.00 C ATOM 1127 O SER B1588 0.283 22.272 4.051 1.00 0.00 O ATOM 1128 CB SER B1588 -0.049 24.920 5.846 1.00 0.00 C ATOM 1129 OG SER B1588 -1.451 25.094 5.967 1.00 0.00 O ATOM 0 H SER B1588 2.155 22.919 7.042 1.00 0.00 H new ATOM 0 HA SER B1588 -0.017 23.223 7.133 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.464 25.593 6.533 1.00 0.00 H new ATOM 0 HB3 SER B1588 0.268 25.191 4.839 1.00 0.00 H new ATOM 0 HG SER B1588 -1.683 26.026 5.774 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.383 21.974 5.500 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.103 21.068 4.646 1.00 0.00 C ATOM 1137 C ARG B1589 -3.030 21.871 3.754 1.00 0.00 C ATOM 1138 O ARG B1589 -4.038 22.405 4.206 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.835 20.074 5.531 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.692 19.048 4.825 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.999 17.933 5.800 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.139 17.106 5.406 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.803 16.309 6.247 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.508 16.289 7.541 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.782 15.545 5.802 1.00 0.00 N ATOM 0 H ARG B1589 -1.826 22.140 6.404 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.441 20.504 3.989 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.097 19.545 6.134 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.469 20.632 6.220 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.615 19.505 4.468 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.172 18.656 3.951 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.119 17.298 5.902 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -4.196 18.364 6.781 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.444 17.140 4.433 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -4.766 16.887 7.904 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.023 15.675 8.172 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.033 15.562 4.814 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.288 14.937 6.446 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.668 21.960 2.484 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.317 22.895 1.563 1.00 0.00 C ATOM 1161 C LYS B1590 -4.744 22.466 1.257 1.00 0.00 C ATOM 1162 O LYS B1590 -5.511 23.212 0.649 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.523 23.036 0.257 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.066 23.441 0.448 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.162 22.223 0.475 1.00 0.00 C ATOM 1166 CE LYS B1590 1.297 22.593 0.669 1.00 0.00 C ATOM 1167 NZ LYS B1590 2.189 21.428 0.419 1.00 0.00 N ATOM 0 H LYS B1590 -1.929 21.398 2.062 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.343 23.866 2.058 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.557 22.087 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.014 23.777 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.761 24.107 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.959 23.999 1.378 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.476 21.558 1.280 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.273 21.670 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.561 23.407 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.450 22.959 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.947 21.412 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.637 20.549 0.480 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 2.607 21.508 -0.530 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.099 21.265 1.682 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.446 20.760 1.491 1.00 0.00 C ATOM 1183 C ALA B1591 -7.337 21.100 2.683 1.00 0.00 C ATOM 1184 O ALA B1591 -8.549 20.896 2.636 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.411 19.259 1.261 1.00 0.00 C ATOM 0 H ALA B1591 -4.471 20.621 2.163 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.871 21.243 0.611 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.426 18.889 1.119 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.817 19.041 0.373 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.964 18.769 2.126 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.737 21.631 3.745 1.00 0.00 N ATOM 1192 CA LYS B1592 -7.485 21.971 4.947 1.00 0.00 C ATOM 1193 C LYS B1592 -7.470 23.478 5.169 1.00 0.00 C ATOM 1194 O LYS B1592 -6.502 24.160 4.820 1.00 0.00 O ATOM 1195 CB LYS B1592 -6.900 21.260 6.177 1.00 0.00 C ATOM 1196 CG LYS B1592 -5.599 21.867 6.695 1.00 0.00 C ATOM 1197 CD LYS B1592 -5.052 21.098 7.886 1.00 0.00 C ATOM 1198 CE LYS B1592 -6.034 21.074 9.043 1.00 0.00 C ATOM 1199 NZ LYS B1592 -5.469 20.388 10.231 1.00 0.00 N ATOM 0 H LYS B1592 -5.739 21.834 3.796 1.00 0.00 H new ATOM 0 HA LYS B1592 -8.514 21.638 4.810 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -7.639 21.278 6.978 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -6.725 20.213 5.928 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -4.858 21.874 5.896 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -5.771 22.905 6.980 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -4.822 20.076 7.584 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -4.117 21.552 8.213 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -6.308 22.095 9.309 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -6.949 20.569 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -5.916 20.762 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -5.651 19.366 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -4.443 20.554 10.273 1.00 0.00 H new ATOM 1213 N LYS B1593 -8.547 23.998 5.732 1.00 0.00 N ATOM 1214 CA LYS B1593 -8.602 25.400 6.098 1.00 0.00 C ATOM 1215 C LYS B1593 -8.450 25.550 7.603 1.00 0.00 C ATOM 1216 O LYS B1593 -9.153 24.893 8.373 1.00 0.00 O ATOM 1217 CB LYS B1593 -9.910 26.052 5.633 1.00 0.00 C ATOM 1218 CG LYS B1593 -10.048 26.150 4.121 1.00 0.00 C ATOM 1219 CD LYS B1593 -11.204 27.056 3.731 1.00 0.00 C ATOM 1220 CE LYS B1593 -11.341 27.171 2.221 1.00 0.00 C ATOM 1221 NZ LYS B1593 -12.378 28.161 1.834 1.00 0.00 N ATOM 0 H LYS B1593 -9.393 23.470 5.945 1.00 0.00 H new ATOM 0 HA LYS B1593 -7.779 25.910 5.598 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -10.750 25.480 6.028 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -9.977 27.053 6.060 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -9.122 26.534 3.693 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -10.205 25.156 3.703 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -12.131 26.666 4.152 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -11.051 28.047 4.159 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -10.383 27.462 1.790 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -11.595 26.197 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -12.441 28.210 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -13.298 27.871 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -12.123 29.096 2.210 1.00 0.00 H new ATOM 1235 N PRO B1594 -7.517 26.402 8.045 1.00 0.00 N ATOM 1236 CA PRO B1594 -7.306 26.676 9.468 1.00 0.00 C ATOM 1237 C PRO B1594 -8.420 27.546 10.050 1.00 0.00 C ATOM 1238 O PRO B1594 -8.186 28.680 10.476 1.00 0.00 O ATOM 1239 CB PRO B1594 -5.969 27.420 9.490 1.00 0.00 C ATOM 1240 CG PRO B1594 -5.878 28.075 8.156 1.00 0.00 C ATOM 1241 CD PRO B1594 -6.588 27.166 7.190 1.00 0.00 C ATOM 0 HA PRO B1594 -7.307 25.768 10.071 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -5.938 28.155 10.295 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -5.137 26.735 9.652 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -6.342 29.061 8.175 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -4.838 28.218 7.863 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -7.121 27.732 6.426 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -5.890 26.509 6.671 1.00 0.00 H new ATOM 1249 N ALA B1595 -9.633 27.000 10.071 1.00 0.00 N ATOM 1250 CA ALA B1595 -10.808 27.719 10.552 1.00 0.00 C ATOM 1251 C ALA B1595 -10.883 27.716 12.077 1.00 0.00 C ATOM 1252 O ALA B1595 -11.959 27.578 12.665 1.00 0.00 O ATOM 1253 CB ALA B1595 -12.069 27.112 9.954 1.00 0.00 C ATOM 0 H ALA B1595 -9.828 26.050 9.756 1.00 0.00 H new ATOM 0 HA ALA B1595 -10.724 28.757 10.231 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -12.942 27.654 10.318 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -12.026 27.181 8.867 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -12.144 26.065 10.248 1.00 0.00 H new ATOM 1259 N GLN B1596 -9.735 27.868 12.711 1.00 0.00 N ATOM 1260 CA GLN B1596 -9.663 27.948 14.157 1.00 0.00 C ATOM 1261 C GLN B1596 -9.236 29.348 14.558 1.00 0.00 C ATOM 1262 O GLN B1596 -10.112 30.170 14.883 1.00 0.00 O ATOM 1263 CB GLN B1596 -8.672 26.924 14.711 1.00 0.00 C ATOM 1264 CG GLN B1596 -8.963 25.492 14.293 1.00 0.00 C ATOM 1265 CD GLN B1596 -8.086 24.495 15.022 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -6.981 24.183 14.582 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -8.579 23.973 16.134 1.00 0.00 N ATOM 1268 OXT GLN B1596 -8.026 29.640 14.489 1.00 0.00 O ATOM 0 H GLN B1596 -8.832 27.939 12.241 1.00 0.00 H new ATOM 0 HA GLN B1596 -10.647 27.727 14.571 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -7.668 27.191 14.382 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -8.676 26.982 15.799 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -10.011 25.264 14.489 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -8.810 25.391 13.219 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -9.500 24.258 16.466 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -8.038 23.286 16.658 1.00 0.00 H new TER 1277 GLN B1596