USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A1073 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1074 THR OG1 : rot 156:sc= 1.93 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -101:sc= 0.405 USER MOD Single : A1079 GLN : amide:sc= 1.14 K(o=1.1,f=-0.095) USER MOD Single : A1082 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0 USER MOD Single : A1097 THR OG1 : rot -140:sc= -1.18 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-3.2!) USER MOD Single : A1112 GLN : amide:sc= 0.993 K(o=0.99,f=-1.1) USER MOD Single : A1116 LYS NZ :NH3+ 163:sc= -0.0858 (180deg=-0.402) USER MOD Single : A1122 SER OG : rot 180:sc= 0 USER MOD Single : A1125 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.47) USER MOD Single : A1128 SER OG : rot -36:sc= 0.452 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -2.687 -1.097 -2.026 1.00 0.00 N ATOM 2 CA VAL A1069 -1.462 -0.289 -2.210 1.00 0.00 C ATOM 3 C VAL A1069 -1.810 1.085 -2.764 1.00 0.00 C ATOM 4 O VAL A1069 -2.839 1.256 -3.418 1.00 0.00 O ATOM 5 CB VAL A1069 -0.449 -0.977 -3.154 1.00 0.00 C ATOM 6 CG1 VAL A1069 0.081 -2.257 -2.531 1.00 0.00 C ATOM 7 CG2 VAL A1069 -1.074 -1.260 -4.514 1.00 0.00 C ATOM 0 HA VAL A1069 -0.998 -0.187 -1.229 1.00 0.00 H new ATOM 0 HB VAL A1069 0.388 -0.295 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A1069 0.792 -2.725 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A1069 0.579 -2.024 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -0.747 -2.941 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -0.340 -1.744 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -1.936 -1.916 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -1.394 -0.323 -4.969 1.00 0.00 H new ATOM 19 N ARG A1070 -0.959 2.063 -2.496 1.00 0.00 N ATOM 20 CA ARG A1070 -1.188 3.415 -2.971 1.00 0.00 C ATOM 21 C ARG A1070 -0.206 3.749 -4.086 1.00 0.00 C ATOM 22 O ARG A1070 1.001 3.864 -3.853 1.00 0.00 O ATOM 23 CB ARG A1070 -1.037 4.420 -1.824 1.00 0.00 C ATOM 24 CG ARG A1070 -1.548 5.809 -2.162 1.00 0.00 C ATOM 25 CD ARG A1070 -1.094 6.840 -1.140 1.00 0.00 C ATOM 26 NE ARG A1070 -1.480 6.492 0.227 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.376 7.328 1.265 1.00 0.00 C ATOM 28 NH1 ARG A1070 -0.942 8.571 1.077 1.00 0.00 N ATOM 29 NH2 ARG A1070 -1.715 6.924 2.481 1.00 0.00 N ATOM 0 H ARG A1070 -0.104 1.944 -1.952 1.00 0.00 H new ATOM 0 HA ARG A1070 -2.205 3.479 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.574 4.047 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.015 4.487 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.193 6.097 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.637 5.795 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.010 6.943 -1.191 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -1.519 7.810 -1.397 1.00 0.00 H new ATOM 0 HE ARG A1070 -1.850 5.557 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.688 8.887 0.141 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.863 9.209 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -2.056 5.974 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -1.635 7.563 3.272 1.00 0.00 H new ATOM 43 N ARG A1071 -0.714 3.887 -5.298 1.00 0.00 N ATOM 44 CA ARG A1071 0.110 4.255 -6.422 1.00 0.00 C ATOM 45 C ARG A1071 -0.437 5.529 -7.027 1.00 0.00 C ATOM 46 O ARG A1071 -1.546 5.946 -6.702 1.00 0.00 O ATOM 47 CB ARG A1071 0.143 3.141 -7.472 1.00 0.00 C ATOM 48 CG ARG A1071 0.634 1.806 -6.925 1.00 0.00 C ATOM 49 CD ARG A1071 1.214 0.914 -8.016 1.00 0.00 C ATOM 50 NE ARG A1071 0.234 0.546 -9.039 1.00 0.00 N ATOM 51 CZ ARG A1071 0.554 0.107 -10.256 1.00 0.00 C ATOM 52 NH1 ARG A1071 1.823 -0.069 -10.595 1.00 0.00 N ATOM 53 NH2 ARG A1071 -0.407 -0.188 -11.120 1.00 0.00 N ATOM 0 H ARG A1071 -1.699 3.748 -5.523 1.00 0.00 H new ATOM 0 HA ARG A1071 1.133 4.413 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.858 3.010 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.789 3.447 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.393 1.985 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A1071 -0.192 1.289 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A1071 2.050 1.428 -8.491 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.614 0.007 -7.561 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.755 0.631 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A1071 2.563 0.132 -9.922 1.00 0.00 H new ATOM 0 HH12 ARG A1071 2.060 -0.405 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -1.385 -0.079 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -0.168 -0.524 -12.053 1.00 0.00 H new ATOM 67 N VAL A1072 0.341 6.153 -7.877 1.00 0.00 N ATOM 68 CA VAL A1072 -0.087 7.345 -8.574 1.00 0.00 C ATOM 69 C VAL A1072 0.386 7.273 -10.020 1.00 0.00 C ATOM 70 O VAL A1072 1.299 6.510 -10.342 1.00 0.00 O ATOM 71 CB VAL A1072 0.471 8.633 -7.925 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.037 8.801 -6.501 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.989 8.638 -7.950 1.00 0.00 C ATOM 0 H VAL A1072 1.288 5.851 -8.106 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.175 7.389 -8.521 1.00 0.00 H new ATOM 0 HB VAL A1072 0.112 9.478 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.374 9.716 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.125 8.861 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.276 7.947 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.357 9.554 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.365 7.777 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.336 8.587 -8.982 1.00 0.00 H new ATOM 83 N LYS A1073 -0.224 8.057 -10.881 1.00 0.00 N ATOM 84 CA LYS A1073 0.146 8.086 -12.277 1.00 0.00 C ATOM 85 C LYS A1073 0.301 9.521 -12.723 1.00 0.00 C ATOM 86 O LYS A1073 -0.650 10.298 -12.694 1.00 0.00 O ATOM 87 CB LYS A1073 -0.898 7.384 -13.129 1.00 0.00 C ATOM 88 CG LYS A1073 -0.408 7.052 -14.520 1.00 0.00 C ATOM 89 CD LYS A1073 -1.517 6.454 -15.353 1.00 0.00 C ATOM 90 CE LYS A1073 -0.967 5.794 -16.605 1.00 0.00 C ATOM 91 NZ LYS A1073 -2.050 5.245 -17.463 1.00 0.00 N ATOM 0 H LYS A1073 -0.986 8.689 -10.634 1.00 0.00 H new ATOM 0 HA LYS A1073 1.092 7.559 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.206 6.465 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.782 8.017 -13.204 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -0.031 7.954 -15.002 1.00 0.00 H new ATOM 0 HG3 LYS A1073 0.425 6.352 -14.459 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -2.064 5.720 -14.762 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -2.227 7.233 -15.631 1.00 0.00 H new ATOM 0 HE2 LYS A1073 -0.386 6.521 -17.173 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.285 4.992 -16.323 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -1.634 4.803 -18.307 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -2.588 4.533 -16.929 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -2.687 6.014 -17.753 1.00 0.00 H new ATOM 105 N THR A1074 1.503 9.854 -13.116 1.00 0.00 N ATOM 106 CA THR A1074 1.857 11.216 -13.453 1.00 0.00 C ATOM 107 C THR A1074 1.067 11.718 -14.656 1.00 0.00 C ATOM 108 O THR A1074 0.945 11.029 -15.668 1.00 0.00 O ATOM 109 CB THR A1074 3.362 11.301 -13.732 1.00 0.00 C ATOM 110 OG1 THR A1074 3.683 10.551 -14.904 1.00 0.00 O ATOM 111 CG2 THR A1074 4.135 10.735 -12.553 1.00 0.00 C ATOM 0 H THR A1074 2.270 9.188 -13.213 1.00 0.00 H new ATOM 0 HA THR A1074 1.606 11.854 -12.606 1.00 0.00 H new ATOM 0 HB THR A1074 3.634 12.346 -13.883 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.511 10.898 -15.298 1.00 0.00 H new ATOM 0 HG21 THR A1074 5.204 10.797 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.901 11.308 -11.656 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.855 9.693 -12.401 1.00 0.00 H new ATOM 119 N ILE A1075 0.510 12.912 -14.529 1.00 0.00 N ATOM 120 CA ILE A1075 -0.263 13.511 -15.604 1.00 0.00 C ATOM 121 C ILE A1075 0.421 14.774 -16.113 1.00 0.00 C ATOM 122 O ILE A1075 0.065 15.305 -17.165 1.00 0.00 O ATOM 123 CB ILE A1075 -1.707 13.842 -15.152 1.00 0.00 C ATOM 124 CG1 ILE A1075 -1.701 14.876 -14.024 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.429 12.578 -14.700 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.084 15.320 -13.591 1.00 0.00 C ATOM 0 H ILE A1075 0.580 13.487 -13.689 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.319 12.781 -16.412 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.239 14.264 -16.005 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.178 14.458 -13.164 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.134 15.749 -14.348 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.442 12.830 -14.386 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -2.471 11.868 -15.526 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -1.891 12.131 -13.864 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -2.996 16.053 -12.789 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -3.604 15.769 -14.437 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -3.648 14.458 -13.235 1.00 0.00 H new ATOM 138 N TYR A1076 1.413 15.242 -15.364 1.00 0.00 N ATOM 139 CA TYR A1076 2.180 16.419 -15.752 1.00 0.00 C ATOM 140 C TYR A1076 3.665 16.149 -15.594 1.00 0.00 C ATOM 141 O TYR A1076 4.081 15.453 -14.667 1.00 0.00 O ATOM 142 CB TYR A1076 1.788 17.640 -14.910 1.00 0.00 C ATOM 143 CG TYR A1076 0.378 18.128 -15.152 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.047 18.467 -16.430 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.528 18.238 -14.108 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.335 18.907 -16.659 1.00 0.00 C ATOM 147 CE2 TYR A1076 -1.821 18.675 -14.330 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.219 19.006 -15.608 1.00 0.00 C ATOM 149 OH TYR A1076 -3.508 19.431 -15.838 1.00 0.00 O ATOM 0 H TYR A1076 1.705 14.822 -14.482 1.00 0.00 H new ATOM 0 HA TYR A1076 1.956 16.634 -16.797 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.899 17.391 -13.855 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.484 18.452 -15.121 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.641 18.385 -17.258 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.219 17.978 -13.106 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.648 19.172 -17.658 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.515 18.757 -13.507 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.004 19.445 -14.993 1.00 0.00 H new ATOM 159 N ASP A1077 4.449 16.688 -16.517 1.00 0.00 N ATOM 160 CA ASP A1077 5.903 16.575 -16.475 1.00 0.00 C ATOM 161 C ASP A1077 6.470 17.253 -15.234 1.00 0.00 C ATOM 162 O ASP A1077 6.105 18.389 -14.911 1.00 0.00 O ATOM 163 CB ASP A1077 6.504 17.203 -17.735 1.00 0.00 C ATOM 164 CG ASP A1077 8.010 17.370 -17.664 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.733 16.449 -18.084 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.471 18.445 -17.225 1.00 0.00 O ATOM 0 H ASP A1077 4.097 17.216 -17.316 1.00 0.00 H new ATOM 0 HA ASP A1077 6.166 15.518 -16.433 1.00 0.00 H new ATOM 0 HB2 ASP A1077 6.255 16.583 -18.596 1.00 0.00 H new ATOM 0 HB3 ASP A1077 6.045 18.178 -17.901 1.00 0.00 H new ATOM 171 N CYS A1078 7.356 16.556 -14.545 1.00 0.00 N ATOM 172 CA CYS A1078 8.006 17.103 -13.366 1.00 0.00 C ATOM 173 C CYS A1078 9.517 17.014 -13.508 1.00 0.00 C ATOM 174 O CYS A1078 10.087 15.922 -13.580 1.00 0.00 O ATOM 175 CB CYS A1078 7.556 16.377 -12.108 1.00 0.00 C ATOM 176 SG CYS A1078 8.392 16.901 -10.594 1.00 0.00 S ATOM 0 H CYS A1078 7.643 15.606 -14.782 1.00 0.00 H new ATOM 0 HA CYS A1078 7.718 18.151 -13.277 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.483 16.524 -11.984 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.717 15.308 -12.245 1.00 0.00 H new ATOM 0 HG CYS A1078 9.309 16.034 -10.282 1.00 0.00 H new ATOM 182 N GLN A1079 10.158 18.166 -13.546 1.00 0.00 N ATOM 183 CA GLN A1079 11.593 18.237 -13.684 1.00 0.00 C ATOM 184 C GLN A1079 12.221 18.692 -12.380 1.00 0.00 C ATOM 185 O GLN A1079 12.022 19.822 -11.927 1.00 0.00 O ATOM 186 CB GLN A1079 11.966 19.162 -14.842 1.00 0.00 C ATOM 187 CG GLN A1079 11.926 18.465 -16.195 1.00 0.00 C ATOM 188 CD GLN A1079 11.931 19.438 -17.354 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.989 19.872 -17.813 1.00 0.00 O ATOM 190 NE2 GLN A1079 10.750 19.755 -17.862 1.00 0.00 N ATOM 0 H GLN A1079 9.698 19.074 -13.482 1.00 0.00 H new ATOM 0 HA GLN A1079 11.983 17.245 -13.913 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.283 20.011 -14.856 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.966 19.561 -14.674 1.00 0.00 H new ATOM 0 HG2 GLN A1079 12.785 17.799 -16.281 1.00 0.00 H new ATOM 0 HG3 GLN A1079 11.033 17.843 -16.252 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.899 19.373 -17.451 1.00 0.00 H new ATOM 0 HE22 GLN A1079 10.692 20.381 -18.665 1.00 0.00 H new ATOM 199 N ALA A1080 12.938 17.773 -11.769 1.00 0.00 N ATOM 200 CA ALA A1080 13.593 18.008 -10.493 1.00 0.00 C ATOM 201 C ALA A1080 14.620 19.126 -10.584 1.00 0.00 C ATOM 202 O ALA A1080 15.539 19.080 -11.404 1.00 0.00 O ATOM 203 CB ALA A1080 14.256 16.732 -10.007 1.00 0.00 C ATOM 0 H ALA A1080 13.086 16.836 -12.143 1.00 0.00 H new ATOM 0 HA ALA A1080 12.829 18.317 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA A1080 14.744 16.917 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA A1080 13.502 15.954 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.998 16.407 -10.736 1.00 0.00 H new ATOM 209 N ASP A1081 14.458 20.124 -9.734 1.00 0.00 N ATOM 210 CA ASP A1081 15.405 21.222 -9.647 1.00 0.00 C ATOM 211 C ASP A1081 16.361 20.955 -8.495 1.00 0.00 C ATOM 212 O ASP A1081 17.500 21.422 -8.482 1.00 0.00 O ATOM 213 CB ASP A1081 14.669 22.551 -9.445 1.00 0.00 C ATOM 214 CG ASP A1081 15.604 23.742 -9.386 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.219 24.072 -10.420 1.00 0.00 O ATOM 216 OD2 ASP A1081 15.704 24.374 -8.313 1.00 0.00 O ATOM 0 H ASP A1081 13.672 20.197 -9.088 1.00 0.00 H new ATOM 0 HA ASP A1081 15.969 21.294 -10.577 1.00 0.00 H new ATOM 0 HB2 ASP A1081 13.958 22.694 -10.259 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.091 22.503 -8.522 1.00 0.00 H new ATOM 221 N ASN A1082 15.887 20.172 -7.537 1.00 0.00 N ATOM 222 CA ASN A1082 16.683 19.784 -6.391 1.00 0.00 C ATOM 223 C ASN A1082 17.102 18.322 -6.514 1.00 0.00 C ATOM 224 O ASN A1082 16.747 17.653 -7.488 1.00 0.00 O ATOM 225 CB ASN A1082 15.898 20.007 -5.094 1.00 0.00 C ATOM 226 CG ASN A1082 15.544 21.463 -4.862 1.00 0.00 C ATOM 227 OD1 ASN A1082 14.396 21.885 -5.371 1.00 0.00 O flip ATOM 228 ND2 ASN A1082 16.300 22.202 -4.233 1.00 0.00 N flip ATOM 0 H ASN A1082 14.941 19.790 -7.536 1.00 0.00 H new ATOM 0 HA ASN A1082 17.579 20.404 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A1082 14.983 19.416 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A1082 16.486 19.643 -4.252 1.00 0.00 H new ATOM 0 HD21 ASN A1082 17.175 21.836 -3.858 1.00 0.00 H new ATOM 0 HD22 ASN A1082 16.052 23.180 -4.087 1.00 0.00 H new ATOM 235 N ASP A1083 17.843 17.824 -5.539 1.00 0.00 N ATOM 236 CA ASP A1083 18.365 16.461 -5.594 1.00 0.00 C ATOM 237 C ASP A1083 17.286 15.420 -5.299 1.00 0.00 C ATOM 238 O ASP A1083 17.189 14.408 -5.992 1.00 0.00 O ATOM 239 CB ASP A1083 19.530 16.298 -4.612 1.00 0.00 C ATOM 240 CG ASP A1083 20.102 14.892 -4.607 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.563 14.430 -5.670 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.113 14.250 -3.534 1.00 0.00 O ATOM 0 H ASP A1083 18.099 18.340 -4.697 1.00 0.00 H new ATOM 0 HA ASP A1083 18.719 16.291 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A1083 20.318 17.005 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.191 16.551 -3.608 1.00 0.00 H new ATOM 247 N ASP A1084 16.456 15.687 -4.300 1.00 0.00 N ATOM 248 CA ASP A1084 15.535 14.668 -3.787 1.00 0.00 C ATOM 249 C ASP A1084 14.180 14.733 -4.489 1.00 0.00 C ATOM 250 O ASP A1084 13.267 13.962 -4.193 1.00 0.00 O ATOM 251 CB ASP A1084 15.365 14.815 -2.270 1.00 0.00 C ATOM 252 CG ASP A1084 14.599 13.660 -1.645 1.00 0.00 C ATOM 253 OD1 ASP A1084 14.933 12.489 -1.927 1.00 0.00 O ATOM 254 OD2 ASP A1084 13.669 13.917 -0.854 1.00 0.00 O ATOM 0 H ASP A1084 16.397 16.590 -3.829 1.00 0.00 H new ATOM 0 HA ASP A1084 15.969 13.690 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.348 14.886 -1.805 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.843 15.748 -2.057 1.00 0.00 H new ATOM 259 N GLU A1085 14.050 15.655 -5.426 1.00 0.00 N ATOM 260 CA GLU A1085 12.848 15.727 -6.235 1.00 0.00 C ATOM 261 C GLU A1085 12.916 14.681 -7.329 1.00 0.00 C ATOM 262 O GLU A1085 13.975 14.457 -7.920 1.00 0.00 O ATOM 263 CB GLU A1085 12.685 17.112 -6.853 1.00 0.00 C ATOM 264 CG GLU A1085 12.556 18.224 -5.834 1.00 0.00 C ATOM 265 CD GLU A1085 12.298 19.566 -6.481 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.110 19.985 -7.332 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.294 20.211 -6.133 1.00 0.00 O ATOM 0 H GLU A1085 14.756 16.358 -5.644 1.00 0.00 H new ATOM 0 HA GLU A1085 11.986 15.538 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.542 17.317 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.802 17.113 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.742 17.992 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.469 18.278 -5.241 1.00 0.00 H new ATOM 274 N LEU A1086 11.805 14.029 -7.598 1.00 0.00 N ATOM 275 CA LEU A1086 11.793 13.009 -8.622 1.00 0.00 C ATOM 276 C LEU A1086 11.507 13.612 -9.987 1.00 0.00 C ATOM 277 O LEU A1086 10.684 14.519 -10.126 1.00 0.00 O ATOM 278 CB LEU A1086 10.777 11.906 -8.317 1.00 0.00 C ATOM 279 CG LEU A1086 10.730 10.797 -9.371 1.00 0.00 C ATOM 280 CD1 LEU A1086 12.093 10.147 -9.527 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.695 9.753 -9.015 1.00 0.00 C ATOM 0 H LEU A1086 10.912 14.184 -7.130 1.00 0.00 H new ATOM 0 HA LEU A1086 12.786 12.560 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A1086 11.015 11.464 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.786 12.352 -8.229 1.00 0.00 H new ATOM 0 HG LEU A1086 10.448 11.252 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A1086 12.037 9.362 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.820 10.897 -9.837 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.401 9.715 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.683 8.977 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.943 9.308 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.712 10.220 -8.956 1.00 0.00 H new ATOM 293 N THR A1087 12.202 13.100 -10.984 1.00 0.00 N ATOM 294 CA THR A1087 11.997 13.513 -12.354 1.00 0.00 C ATOM 295 C THR A1087 11.167 12.461 -13.072 1.00 0.00 C ATOM 296 O THR A1087 11.497 11.273 -13.044 1.00 0.00 O ATOM 297 CB THR A1087 13.339 13.699 -13.088 1.00 0.00 C ATOM 298 OG1 THR A1087 14.253 14.411 -12.245 1.00 0.00 O ATOM 299 CG2 THR A1087 13.147 14.468 -14.388 1.00 0.00 C ATOM 0 H THR A1087 12.922 12.388 -10.865 1.00 0.00 H new ATOM 0 HA THR A1087 11.476 14.470 -12.353 1.00 0.00 H new ATOM 0 HB THR A1087 13.741 12.714 -13.324 1.00 0.00 H new ATOM 0 HG1 THR A1087 15.107 14.527 -12.712 1.00 0.00 H new ATOM 0 HG21 THR A1087 14.109 14.586 -14.887 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.466 13.919 -15.038 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.728 15.451 -14.171 1.00 0.00 H new ATOM 307 N PHE A1088 10.082 12.889 -13.682 1.00 0.00 N ATOM 308 CA PHE A1088 9.193 11.976 -14.375 1.00 0.00 C ATOM 309 C PHE A1088 8.401 12.710 -15.441 1.00 0.00 C ATOM 310 O PHE A1088 8.234 13.932 -15.373 1.00 0.00 O ATOM 311 CB PHE A1088 8.241 11.288 -13.386 1.00 0.00 C ATOM 312 CG PHE A1088 7.421 12.234 -12.547 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.354 12.929 -13.094 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.723 12.425 -11.209 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.600 13.791 -12.324 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.974 13.288 -10.433 1.00 0.00 C ATOM 317 CZ PHE A1088 5.912 13.974 -10.991 1.00 0.00 C ATOM 0 H PHE A1088 9.792 13.867 -13.713 1.00 0.00 H new ATOM 0 HA PHE A1088 9.802 11.211 -14.857 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.566 10.638 -13.943 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.825 10.648 -12.724 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.109 12.794 -14.137 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.553 11.893 -10.768 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.768 14.321 -12.763 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.218 13.427 -9.390 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.327 14.652 -10.386 1.00 0.00 H new ATOM 327 N ILE A1089 7.918 11.962 -16.414 1.00 0.00 N ATOM 328 CA ILE A1089 7.099 12.517 -17.470 1.00 0.00 C ATOM 329 C ILE A1089 5.685 11.952 -17.402 1.00 0.00 C ATOM 330 O ILE A1089 5.448 10.913 -16.775 1.00 0.00 O ATOM 331 CB ILE A1089 7.729 12.284 -18.868 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.121 10.813 -19.091 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.944 13.180 -19.037 1.00 0.00 C ATOM 334 CD1 ILE A1089 6.972 9.910 -19.491 1.00 0.00 C ATOM 0 H ILE A1089 8.082 10.958 -16.493 1.00 0.00 H new ATOM 0 HA ILE A1089 7.046 13.595 -17.319 1.00 0.00 H new ATOM 0 HB ILE A1089 6.977 12.535 -19.616 1.00 0.00 H new ATOM 0 HG12 ILE A1089 8.888 10.768 -19.864 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.568 10.427 -18.175 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.385 13.014 -20.020 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.642 14.223 -18.946 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.678 12.946 -18.266 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.339 8.893 -19.627 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.212 9.920 -18.710 1.00 0.00 H new ATOM 0 HD13 ILE A1089 6.537 10.267 -20.425 1.00 0.00 H new ATOM 346 N GLU A1090 4.755 12.653 -18.034 1.00 0.00 N ATOM 347 CA GLU A1090 3.343 12.289 -17.996 1.00 0.00 C ATOM 348 C GLU A1090 3.126 10.856 -18.475 1.00 0.00 C ATOM 349 O GLU A1090 3.411 10.523 -19.627 1.00 0.00 O ATOM 350 CB GLU A1090 2.509 13.236 -18.868 1.00 0.00 C ATOM 351 CG GLU A1090 3.029 14.666 -18.935 1.00 0.00 C ATOM 352 CD GLU A1090 4.108 14.843 -19.988 1.00 0.00 C ATOM 353 OE1 GLU A1090 3.761 15.094 -21.162 1.00 0.00 O ATOM 354 OE2 GLU A1090 5.304 14.709 -19.658 1.00 0.00 O ATOM 0 H GLU A1090 4.955 13.487 -18.586 1.00 0.00 H new ATOM 0 HA GLU A1090 3.021 12.371 -16.958 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.466 12.832 -19.880 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.488 13.253 -18.487 1.00 0.00 H new ATOM 0 HG2 GLU A1090 2.201 15.341 -19.151 1.00 0.00 H new ATOM 0 HG3 GLU A1090 3.426 14.951 -17.961 1.00 0.00 H new ATOM 361 N GLY A1091 2.620 10.015 -17.591 1.00 0.00 N ATOM 362 CA GLY A1091 2.302 8.655 -17.966 1.00 0.00 C ATOM 363 C GLY A1091 3.089 7.626 -17.182 1.00 0.00 C ATOM 364 O GLY A1091 2.884 6.424 -17.360 1.00 0.00 O ATOM 0 H GLY A1091 2.423 10.249 -16.618 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.237 8.482 -17.815 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.499 8.522 -19.030 1.00 0.00 H new ATOM 368 N GLU A1092 3.981 8.082 -16.315 1.00 0.00 N ATOM 369 CA GLU A1092 4.751 7.171 -15.487 1.00 0.00 C ATOM 370 C GLU A1092 3.993 6.872 -14.208 1.00 0.00 C ATOM 371 O GLU A1092 3.391 7.762 -13.604 1.00 0.00 O ATOM 372 CB GLU A1092 6.133 7.748 -15.161 1.00 0.00 C ATOM 373 CG GLU A1092 7.059 7.821 -16.363 1.00 0.00 C ATOM 374 CD GLU A1092 8.467 8.248 -15.996 1.00 0.00 C ATOM 375 OE1 GLU A1092 9.258 7.392 -15.551 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.796 9.437 -16.159 1.00 0.00 O ATOM 0 H GLU A1092 4.187 9.070 -16.168 1.00 0.00 H new ATOM 0 HA GLU A1092 4.898 6.246 -16.044 1.00 0.00 H new ATOM 0 HB2 GLU A1092 6.011 8.748 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.600 7.136 -14.389 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.095 6.845 -16.848 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.649 8.523 -17.089 1.00 0.00 H new ATOM 383 N VAL A1093 3.997 5.616 -13.813 1.00 0.00 N ATOM 384 CA VAL A1093 3.346 5.216 -12.587 1.00 0.00 C ATOM 385 C VAL A1093 4.348 5.226 -11.445 1.00 0.00 C ATOM 386 O VAL A1093 5.439 4.670 -11.551 1.00 0.00 O ATOM 387 CB VAL A1093 2.705 3.821 -12.713 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.154 3.346 -11.375 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.612 3.832 -13.773 1.00 0.00 C ATOM 0 H VAL A1093 4.445 4.856 -14.325 1.00 0.00 H new ATOM 0 HA VAL A1093 2.549 5.931 -12.382 1.00 0.00 H new ATOM 0 HB VAL A1093 3.480 3.119 -13.022 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.708 2.359 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.963 3.292 -10.647 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.396 4.046 -11.024 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.169 2.839 -13.850 1.00 0.00 H new ATOM 0 HG22 VAL A1093 0.842 4.552 -13.495 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.041 4.113 -14.735 1.00 0.00 H new ATOM 399 N ILE A1094 3.975 5.880 -10.368 1.00 0.00 N ATOM 400 CA ILE A1094 4.820 5.976 -9.192 1.00 0.00 C ATOM 401 C ILE A1094 4.159 5.259 -8.030 1.00 0.00 C ATOM 402 O ILE A1094 2.953 5.363 -7.836 1.00 0.00 O ATOM 403 CB ILE A1094 5.089 7.445 -8.788 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.815 8.192 -9.904 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.900 7.512 -7.500 1.00 0.00 C ATOM 406 CD1 ILE A1094 6.116 9.637 -9.570 1.00 0.00 C ATOM 0 H ILE A1094 3.080 6.361 -10.279 1.00 0.00 H new ATOM 0 HA ILE A1094 5.775 5.511 -9.437 1.00 0.00 H new ATOM 0 HB ILE A1094 4.126 7.926 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.750 7.677 -10.126 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.208 8.156 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.077 8.554 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.349 7.022 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.855 7.007 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.632 10.104 -10.409 1.00 0.00 H new ATOM 0 HD12 ILE A1094 5.184 10.168 -9.377 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.749 9.681 -8.684 1.00 0.00 H new ATOM 418 N ILE A1095 4.935 4.520 -7.273 1.00 0.00 N ATOM 419 CA ILE A1095 4.409 3.861 -6.099 1.00 0.00 C ATOM 420 C ILE A1095 4.726 4.688 -4.871 1.00 0.00 C ATOM 421 O ILE A1095 5.896 4.935 -4.564 1.00 0.00 O ATOM 422 CB ILE A1095 4.969 2.436 -5.945 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.725 1.666 -7.243 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.329 1.734 -4.751 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.960 0.184 -7.137 1.00 0.00 C ATOM 0 H ILE A1095 5.927 4.360 -7.447 1.00 0.00 H new ATOM 0 HA ILE A1095 3.329 3.773 -6.213 1.00 0.00 H new ATOM 0 HB ILE A1095 6.042 2.479 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.698 1.837 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.375 2.070 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.738 0.728 -4.659 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.541 2.297 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.251 1.675 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.764 -0.285 -8.101 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.994 -0.001 -6.847 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.292 -0.238 -6.386 1.00 0.00 H new ATOM 437 N VAL A1096 3.674 5.137 -4.202 1.00 0.00 N ATOM 438 CA VAL A1096 3.804 5.983 -3.029 1.00 0.00 C ATOM 439 C VAL A1096 4.369 5.189 -1.864 1.00 0.00 C ATOM 440 O VAL A1096 3.711 4.294 -1.327 1.00 0.00 O ATOM 441 CB VAL A1096 2.447 6.595 -2.628 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.603 7.522 -1.432 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.832 7.329 -3.806 1.00 0.00 C ATOM 0 H VAL A1096 2.710 4.925 -4.458 1.00 0.00 H new ATOM 0 HA VAL A1096 4.488 6.794 -3.280 1.00 0.00 H new ATOM 0 HB VAL A1096 1.776 5.787 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.632 7.942 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.998 6.960 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.291 8.329 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.874 7.756 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.501 8.127 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.678 6.631 -4.629 1.00 0.00 H new ATOM 453 N THR A1097 5.590 5.518 -1.487 1.00 0.00 N ATOM 454 CA THR A1097 6.288 4.800 -0.441 1.00 0.00 C ATOM 455 C THR A1097 6.512 5.698 0.782 1.00 0.00 C ATOM 456 O THR A1097 7.032 5.258 1.809 1.00 0.00 O ATOM 457 CB THR A1097 7.637 4.264 -0.968 1.00 0.00 C ATOM 458 OG1 THR A1097 8.432 5.341 -1.483 1.00 0.00 O ATOM 459 CG2 THR A1097 7.420 3.231 -2.069 1.00 0.00 C ATOM 0 H THR A1097 6.122 6.286 -1.895 1.00 0.00 H new ATOM 0 HA THR A1097 5.670 3.956 -0.135 1.00 0.00 H new ATOM 0 HB THR A1097 8.157 3.790 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A1097 8.888 5.049 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.385 2.869 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A1097 6.841 2.396 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A1097 6.878 3.689 -2.896 1.00 0.00 H new ATOM 467 N GLY A1098 6.108 6.960 0.659 1.00 0.00 N ATOM 468 CA GLY A1098 6.245 7.909 1.750 1.00 0.00 C ATOM 469 C GLY A1098 5.410 9.158 1.534 1.00 0.00 C ATOM 470 O GLY A1098 4.842 9.350 0.461 1.00 0.00 O ATOM 0 H GLY A1098 5.684 7.344 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.947 7.432 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.293 8.189 1.856 1.00 0.00 H new ATOM 474 N GLU A1099 5.340 10.012 2.550 1.00 0.00 N ATOM 475 CA GLU A1099 4.552 11.244 2.477 1.00 0.00 C ATOM 476 C GLU A1099 5.291 12.399 3.151 1.00 0.00 C ATOM 477 O GLU A1099 5.855 12.244 4.236 1.00 0.00 O ATOM 478 CB GLU A1099 3.189 11.037 3.143 1.00 0.00 C ATOM 479 CG GLU A1099 2.278 10.094 2.377 1.00 0.00 C ATOM 480 CD GLU A1099 1.049 9.694 3.164 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.020 10.398 3.081 1.00 0.00 O ATOM 482 OE2 GLU A1099 1.097 8.660 3.863 1.00 0.00 O ATOM 0 H GLU A1099 5.821 9.875 3.439 1.00 0.00 H new ATOM 0 HA GLU A1099 4.403 11.494 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.341 10.646 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.694 12.003 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.968 10.571 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.837 9.198 2.105 1.00 0.00 H new ATOM 489 N GLU A1100 5.283 13.555 2.499 1.00 0.00 N ATOM 490 CA GLU A1100 5.957 14.740 3.022 1.00 0.00 C ATOM 491 C GLU A1100 4.946 15.775 3.482 1.00 0.00 C ATOM 492 O GLU A1100 5.033 16.305 4.586 1.00 0.00 O ATOM 493 CB GLU A1100 6.849 15.367 1.949 1.00 0.00 C ATOM 494 CG GLU A1100 8.088 14.563 1.635 1.00 0.00 C ATOM 495 CD GLU A1100 9.108 14.617 2.749 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.006 13.812 3.692 1.00 0.00 O ATOM 497 OE2 GLU A1100 10.016 15.475 2.687 1.00 0.00 O ATOM 0 H GLU A1100 4.816 13.699 1.604 1.00 0.00 H new ATOM 0 HA GLU A1100 6.567 14.426 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.268 15.492 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.148 16.363 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.808 13.526 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.538 14.938 0.716 1.00 0.00 H new ATOM 504 N ASP A1101 3.980 16.047 2.620 1.00 0.00 N ATOM 505 CA ASP A1101 3.039 17.135 2.848 1.00 0.00 C ATOM 506 C ASP A1101 1.684 16.797 2.220 1.00 0.00 C ATOM 507 O ASP A1101 1.430 15.640 1.884 1.00 0.00 O ATOM 508 CB ASP A1101 3.625 18.426 2.254 1.00 0.00 C ATOM 509 CG ASP A1101 2.876 19.676 2.662 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.976 20.083 3.833 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.165 20.246 1.808 1.00 0.00 O ATOM 0 H ASP A1101 3.826 15.530 1.755 1.00 0.00 H new ATOM 0 HA ASP A1101 2.879 17.278 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.666 18.519 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.622 18.350 1.167 1.00 0.00 H new ATOM 516 N GLN A1102 0.826 17.792 2.049 1.00 0.00 N ATOM 517 CA GLN A1102 -0.495 17.581 1.479 1.00 0.00 C ATOM 518 C GLN A1102 -0.384 17.321 -0.017 1.00 0.00 C ATOM 519 O GLN A1102 -1.135 16.531 -0.588 1.00 0.00 O ATOM 520 CB GLN A1102 -1.369 18.813 1.724 1.00 0.00 C ATOM 521 CG GLN A1102 -2.759 18.713 1.125 1.00 0.00 C ATOM 522 CD GLN A1102 -3.472 20.054 1.095 1.00 0.00 C ATOM 523 OE1 GLN A1102 -3.374 20.797 0.118 1.00 0.00 O ATOM 524 NE2 GLN A1102 -4.177 20.383 2.167 1.00 0.00 N ATOM 0 H GLN A1102 1.024 18.761 2.299 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.951 16.714 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.458 18.974 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -0.869 19.689 1.311 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.688 18.319 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -3.351 18.002 1.702 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -4.234 19.740 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -4.663 21.279 2.203 1.00 0.00 H new ATOM 533 N GLU A1103 0.587 17.974 -0.632 1.00 0.00 N ATOM 534 CA GLU A1103 0.740 17.933 -2.076 1.00 0.00 C ATOM 535 C GLU A1103 2.116 17.428 -2.462 1.00 0.00 C ATOM 536 O GLU A1103 2.536 17.544 -3.612 1.00 0.00 O ATOM 537 CB GLU A1103 0.481 19.315 -2.683 1.00 0.00 C ATOM 538 CG GLU A1103 1.064 20.464 -1.878 1.00 0.00 C ATOM 539 CD GLU A1103 0.763 21.811 -2.500 1.00 0.00 C ATOM 540 OE1 GLU A1103 -0.345 22.344 -2.275 1.00 0.00 O ATOM 541 OE2 GLU A1103 1.630 22.343 -3.222 1.00 0.00 O ATOM 0 H GLU A1103 1.285 18.542 -0.151 1.00 0.00 H new ATOM 0 HA GLU A1103 0.002 17.237 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.898 19.342 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.595 19.462 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.662 20.436 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.143 20.337 -1.796 1.00 0.00 H new ATOM 548 N TRP A1104 2.800 16.839 -1.497 1.00 0.00 N ATOM 549 CA TRP A1104 4.140 16.318 -1.713 1.00 0.00 C ATOM 550 C TRP A1104 4.283 14.956 -1.066 1.00 0.00 C ATOM 551 O TRP A1104 4.258 14.831 0.159 1.00 0.00 O ATOM 552 CB TRP A1104 5.191 17.285 -1.162 1.00 0.00 C ATOM 553 CG TRP A1104 5.231 18.580 -1.907 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.498 19.698 -1.643 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.033 18.886 -3.054 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.786 20.678 -2.558 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.731 20.207 -3.432 1.00 0.00 C ATOM 558 CE3 TRP A1104 6.980 18.171 -3.797 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.338 20.827 -4.522 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.583 18.788 -4.877 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.259 20.105 -5.229 1.00 0.00 C ATOM 0 H TRP A1104 2.447 16.709 -0.549 1.00 0.00 H new ATOM 0 HA TRP A1104 4.301 16.214 -2.786 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.982 17.482 -0.111 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.173 16.813 -1.209 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.793 19.798 -0.831 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.365 21.607 -2.584 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.235 17.156 -3.531 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.090 21.841 -4.798 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.315 18.247 -5.458 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.748 20.560 -6.078 1.00 0.00 H new ATOM 572 N TRP A1105 4.396 13.936 -1.892 1.00 0.00 N ATOM 573 CA TRP A1105 4.570 12.580 -1.409 1.00 0.00 C ATOM 574 C TRP A1105 5.934 12.055 -1.824 1.00 0.00 C ATOM 575 O TRP A1105 6.641 12.692 -2.604 1.00 0.00 O ATOM 576 CB TRP A1105 3.476 11.663 -1.960 1.00 0.00 C ATOM 577 CG TRP A1105 2.104 11.932 -1.408 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.759 12.818 -0.427 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.889 11.293 -1.811 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.408 12.767 -0.199 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.151 11.838 -1.036 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.580 10.315 -2.758 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.478 11.432 -1.181 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.732 9.910 -2.898 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.748 10.469 -2.114 1.00 0.00 C ATOM 0 H TRP A1105 4.370 14.021 -2.908 1.00 0.00 H new ATOM 0 HA TRP A1105 4.499 12.591 -0.321 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.445 11.766 -3.045 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.744 10.628 -1.746 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.450 13.465 0.093 1.00 0.00 H new ATOM 0 HE1 TRP A1105 -0.099 13.330 0.484 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.356 9.882 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.264 11.863 -0.578 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -0.979 9.150 -3.624 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.766 10.133 -2.249 1.00 0.00 H new ATOM 596 N ILE A1106 6.293 10.902 -1.294 1.00 0.00 N ATOM 597 CA ILE A1106 7.549 10.252 -1.618 1.00 0.00 C ATOM 598 C ILE A1106 7.257 8.900 -2.239 1.00 0.00 C ATOM 599 O ILE A1106 6.370 8.178 -1.783 1.00 0.00 O ATOM 600 CB ILE A1106 8.438 10.070 -0.369 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.862 11.431 0.180 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.659 9.216 -0.690 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.686 11.345 1.443 1.00 0.00 C ATOM 0 H ILE A1106 5.721 10.388 -0.625 1.00 0.00 H new ATOM 0 HA ILE A1106 8.093 10.885 -2.320 1.00 0.00 H new ATOM 0 HB ILE A1106 7.857 9.552 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.435 11.958 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.971 12.027 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.269 9.102 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.336 8.234 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.246 9.700 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.950 12.349 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.108 10.847 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.595 10.777 1.246 1.00 0.00 H new ATOM 615 N GLY A1107 7.963 8.572 -3.296 1.00 0.00 N ATOM 616 CA GLY A1107 7.728 7.319 -3.955 1.00 0.00 C ATOM 617 C GLY A1107 8.721 7.067 -5.046 1.00 0.00 C ATOM 618 O GLY A1107 9.595 7.893 -5.302 1.00 0.00 O ATOM 0 H GLY A1107 8.694 9.150 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.777 6.510 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.721 7.311 -4.372 1.00 0.00 H new ATOM 622 N HIS A1108 8.568 5.938 -5.700 1.00 0.00 N ATOM 623 CA HIS A1108 9.511 5.508 -6.720 1.00 0.00 C ATOM 624 C HIS A1108 8.787 5.171 -8.012 1.00 0.00 C ATOM 625 O HIS A1108 7.609 4.799 -7.992 1.00 0.00 O ATOM 626 CB HIS A1108 10.322 4.292 -6.234 1.00 0.00 C ATOM 627 CG HIS A1108 9.515 3.056 -5.929 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.569 2.399 -4.721 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.674 2.330 -6.700 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.800 1.328 -4.773 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.247 1.260 -5.964 1.00 0.00 N ATOM 0 H HIS A1108 7.794 5.292 -5.545 1.00 0.00 H new ATOM 0 HA HIS A1108 10.200 6.331 -6.911 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.062 4.043 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.870 4.578 -5.336 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.117 2.694 -3.913 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.390 2.556 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.649 0.623 -3.969 1.00 0.00 H new ATOM 640 N ILE A1109 9.494 5.297 -9.126 1.00 0.00 N ATOM 641 CA ILE A1109 8.954 4.915 -10.423 1.00 0.00 C ATOM 642 C ILE A1109 8.722 3.409 -10.469 1.00 0.00 C ATOM 643 O ILE A1109 9.642 2.621 -10.242 1.00 0.00 O ATOM 644 CB ILE A1109 9.904 5.326 -11.577 1.00 0.00 C ATOM 645 CG1 ILE A1109 10.031 6.852 -11.658 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.424 4.758 -12.908 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.749 7.556 -12.055 1.00 0.00 C ATOM 0 H ILE A1109 10.446 5.662 -9.157 1.00 0.00 H new ATOM 0 HA ILE A1109 8.007 5.439 -10.555 1.00 0.00 H new ATOM 0 HB ILE A1109 10.889 4.909 -11.366 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.357 7.231 -10.690 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.810 7.104 -12.378 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.108 5.061 -13.701 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.395 3.670 -12.850 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.425 5.136 -13.126 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.921 8.632 -12.090 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.431 7.207 -13.038 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.972 7.336 -11.323 1.00 0.00 H new ATOM 659 N GLU A1110 7.484 3.018 -10.725 1.00 0.00 N ATOM 660 CA GLU A1110 7.135 1.612 -10.850 1.00 0.00 C ATOM 661 C GLU A1110 7.837 1.021 -12.071 1.00 0.00 C ATOM 662 O GLU A1110 7.684 1.519 -13.189 1.00 0.00 O ATOM 663 CB GLU A1110 5.610 1.467 -10.961 1.00 0.00 C ATOM 664 CG GLU A1110 5.117 0.076 -11.337 1.00 0.00 C ATOM 665 CD GLU A1110 5.439 -0.991 -10.312 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.627 -1.309 -10.121 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.492 -1.527 -9.699 1.00 0.00 O ATOM 0 H GLU A1110 6.700 3.658 -10.851 1.00 0.00 H new ATOM 0 HA GLU A1110 7.465 1.066 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.164 1.748 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.247 2.177 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.037 0.112 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.558 -0.208 -12.293 1.00 0.00 H new ATOM 674 N GLY A1111 8.624 -0.018 -11.845 1.00 0.00 N ATOM 675 CA GLY A1111 9.387 -0.623 -12.916 1.00 0.00 C ATOM 676 C GLY A1111 10.805 -0.089 -12.985 1.00 0.00 C ATOM 677 O GLY A1111 11.627 -0.591 -13.753 1.00 0.00 O ATOM 0 H GLY A1111 8.749 -0.456 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.414 -1.703 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A1111 8.885 -0.439 -13.866 1.00 0.00 H new ATOM 681 N GLN A1112 11.096 0.932 -12.186 1.00 0.00 N ATOM 682 CA GLN A1112 12.438 1.493 -12.115 1.00 0.00 C ATOM 683 C GLN A1112 12.678 2.067 -10.719 1.00 0.00 C ATOM 684 O GLN A1112 12.599 3.280 -10.503 1.00 0.00 O ATOM 685 CB GLN A1112 12.622 2.580 -13.172 1.00 0.00 C ATOM 686 CG GLN A1112 14.066 2.755 -13.593 1.00 0.00 C ATOM 687 CD GLN A1112 14.568 1.595 -14.437 1.00 0.00 C ATOM 688 OE1 GLN A1112 13.818 1.006 -15.217 1.00 0.00 O ATOM 689 NE2 GLN A1112 15.826 1.231 -14.259 1.00 0.00 N ATOM 0 H GLN A1112 10.417 1.388 -11.577 1.00 0.00 H new ATOM 0 HA GLN A1112 13.163 0.703 -12.309 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.021 2.334 -14.047 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.245 3.526 -12.783 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.167 3.682 -14.157 1.00 0.00 H new ATOM 0 HG3 GLN A1112 14.691 2.852 -12.705 1.00 0.00 H new ATOM 0 HE21 GLN A1112 16.417 1.743 -13.604 1.00 0.00 H new ATOM 0 HE22 GLN A1112 16.206 0.438 -14.776 1.00 0.00 H new ATOM 698 N PRO A1113 12.991 1.191 -9.755 1.00 0.00 N ATOM 699 CA PRO A1113 13.009 1.540 -8.331 1.00 0.00 C ATOM 700 C PRO A1113 14.170 2.442 -7.902 1.00 0.00 C ATOM 701 O PRO A1113 14.243 2.832 -6.734 1.00 0.00 O ATOM 702 CB PRO A1113 13.114 0.179 -7.644 1.00 0.00 C ATOM 703 CG PRO A1113 13.806 -0.690 -8.633 1.00 0.00 C ATOM 704 CD PRO A1113 13.351 -0.222 -9.983 1.00 0.00 C ATOM 0 HA PRO A1113 12.127 2.124 -8.069 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.678 0.247 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.129 -0.214 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A1113 14.888 -0.607 -8.536 1.00 0.00 H new ATOM 0 HG3 PRO A1113 13.551 -1.738 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.140 -0.320 -10.729 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.500 -0.800 -10.342 1.00 0.00 H new ATOM 712 N GLU A1114 15.069 2.783 -8.818 1.00 0.00 N ATOM 713 CA GLU A1114 16.178 3.666 -8.471 1.00 0.00 C ATOM 714 C GLU A1114 15.691 5.104 -8.401 1.00 0.00 C ATOM 715 O GLU A1114 16.163 5.893 -7.583 1.00 0.00 O ATOM 716 CB GLU A1114 17.332 3.584 -9.479 1.00 0.00 C ATOM 717 CG GLU A1114 17.802 2.176 -9.801 1.00 0.00 C ATOM 718 CD GLU A1114 16.961 1.530 -10.875 1.00 0.00 C ATOM 719 OE1 GLU A1114 16.837 2.130 -11.965 1.00 0.00 O ATOM 720 OE2 GLU A1114 16.410 0.439 -10.630 1.00 0.00 O ATOM 0 H GLU A1114 15.055 2.469 -9.788 1.00 0.00 H new ATOM 0 HA GLU A1114 16.553 3.337 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.021 4.068 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.176 4.153 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU A1114 18.842 2.206 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A1114 17.767 1.567 -8.898 1.00 0.00 H new ATOM 727 N ARG A1115 14.738 5.431 -9.258 1.00 0.00 N ATOM 728 CA ARG A1115 14.202 6.774 -9.319 1.00 0.00 C ATOM 729 C ARG A1115 13.089 6.951 -8.309 1.00 0.00 C ATOM 730 O ARG A1115 11.944 6.571 -8.556 1.00 0.00 O ATOM 731 CB ARG A1115 13.688 7.110 -10.718 1.00 0.00 C ATOM 732 CG ARG A1115 14.735 7.740 -11.617 1.00 0.00 C ATOM 733 CD ARG A1115 14.103 8.355 -12.857 1.00 0.00 C ATOM 734 NE ARG A1115 15.060 9.167 -13.608 1.00 0.00 N ATOM 735 CZ ARG A1115 14.729 10.014 -14.584 1.00 0.00 C ATOM 736 NH1 ARG A1115 13.468 10.129 -14.980 1.00 0.00 N ATOM 737 NH2 ARG A1115 15.674 10.734 -15.170 1.00 0.00 N ATOM 0 H ARG A1115 14.320 4.779 -9.922 1.00 0.00 H new ATOM 0 HA ARG A1115 15.015 7.459 -9.080 1.00 0.00 H new ATOM 0 HB2 ARG A1115 13.319 6.199 -11.188 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.840 7.790 -10.631 1.00 0.00 H new ATOM 0 HG2 ARG A1115 15.277 8.507 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A1115 15.464 6.986 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A1115 13.716 7.563 -13.498 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.254 8.972 -12.564 1.00 0.00 H new ATOM 0 HE ARG A1115 16.048 9.080 -13.369 1.00 0.00 H new ATOM 0 HH11 ARG A1115 12.741 9.567 -14.537 1.00 0.00 H new ATOM 0 HH12 ARG A1115 13.225 10.780 -15.727 1.00 0.00 H new ATOM 0 HH21 ARG A1115 16.645 10.638 -14.874 1.00 0.00 H new ATOM 0 HH22 ARG A1115 15.430 11.384 -15.917 1.00 0.00 H new ATOM 751 N LYS A1116 13.437 7.509 -7.170 1.00 0.00 N ATOM 752 CA LYS A1116 12.457 7.820 -6.146 1.00 0.00 C ATOM 753 C LYS A1116 12.763 9.167 -5.506 1.00 0.00 C ATOM 754 O LYS A1116 13.890 9.662 -5.586 1.00 0.00 O ATOM 755 CB LYS A1116 12.422 6.730 -5.076 1.00 0.00 C ATOM 756 CG LYS A1116 13.689 6.625 -4.255 1.00 0.00 C ATOM 757 CD LYS A1116 13.516 5.637 -3.123 1.00 0.00 C ATOM 758 CE LYS A1116 14.736 5.620 -2.211 1.00 0.00 C ATOM 759 NZ LYS A1116 15.027 6.957 -1.623 1.00 0.00 N ATOM 0 H LYS A1116 14.396 7.759 -6.927 1.00 0.00 H new ATOM 0 HA LYS A1116 11.478 7.869 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A1116 11.583 6.921 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.234 5.770 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A1116 14.516 6.313 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A1116 13.949 7.604 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.630 5.896 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.350 4.640 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.575 4.901 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.603 5.279 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.664 6.847 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.482 7.559 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.139 7.400 -1.311 1.00 0.00 H new ATOM 773 N GLY A1117 11.758 9.748 -4.873 1.00 0.00 N ATOM 774 CA GLY A1117 11.923 11.037 -4.234 1.00 0.00 C ATOM 775 C GLY A1117 10.588 11.695 -3.977 1.00 0.00 C ATOM 776 O GLY A1117 9.564 11.013 -3.913 1.00 0.00 O ATOM 0 H GLY A1117 10.824 9.347 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.457 10.913 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.534 11.683 -4.865 1.00 0.00 H new ATOM 780 N VAL A1118 10.590 13.012 -3.836 1.00 0.00 N ATOM 781 CA VAL A1118 9.353 13.747 -3.619 1.00 0.00 C ATOM 782 C VAL A1118 8.694 14.103 -4.945 1.00 0.00 C ATOM 783 O VAL A1118 9.368 14.477 -5.911 1.00 0.00 O ATOM 784 CB VAL A1118 9.571 15.036 -2.794 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.931 14.695 -1.361 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.646 15.915 -3.415 1.00 0.00 C ATOM 0 H VAL A1118 11.429 13.591 -3.868 1.00 0.00 H new ATOM 0 HA VAL A1118 8.698 13.088 -3.049 1.00 0.00 H new ATOM 0 HB VAL A1118 8.636 15.596 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.081 15.614 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.123 14.119 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.848 14.106 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.775 16.813 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.587 15.366 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.347 16.197 -4.425 1.00 0.00 H new ATOM 796 N PHE A1119 7.380 13.962 -4.993 1.00 0.00 N ATOM 797 CA PHE A1119 6.615 14.305 -6.179 1.00 0.00 C ATOM 798 C PHE A1119 5.311 14.991 -5.796 1.00 0.00 C ATOM 799 O PHE A1119 4.644 14.600 -4.830 1.00 0.00 O ATOM 800 CB PHE A1119 6.345 13.062 -7.044 1.00 0.00 C ATOM 801 CG PHE A1119 5.696 11.899 -6.334 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.464 10.994 -5.621 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.325 11.692 -6.407 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.881 9.912 -4.998 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.741 10.600 -5.784 1.00 0.00 C ATOM 806 CZ PHE A1119 4.525 9.712 -5.076 1.00 0.00 C ATOM 0 H PHE A1119 6.818 13.610 -4.218 1.00 0.00 H new ATOM 0 HA PHE A1119 7.208 15.001 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.709 13.355 -7.879 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.291 12.724 -7.467 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.532 11.138 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.707 12.389 -6.955 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.495 9.217 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.674 10.444 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.073 8.863 -4.585 1.00 0.00 H new ATOM 816 N PRO A1120 4.958 16.055 -6.529 1.00 0.00 N ATOM 817 CA PRO A1120 3.720 16.802 -6.299 1.00 0.00 C ATOM 818 C PRO A1120 2.478 15.977 -6.637 1.00 0.00 C ATOM 819 O PRO A1120 2.314 15.504 -7.762 1.00 0.00 O ATOM 820 CB PRO A1120 3.841 18.010 -7.232 1.00 0.00 C ATOM 821 CG PRO A1120 4.821 17.605 -8.279 1.00 0.00 C ATOM 822 CD PRO A1120 5.753 16.620 -7.635 1.00 0.00 C ATOM 0 HA PRO A1120 3.601 17.079 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.877 18.264 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.186 18.891 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.313 17.157 -9.133 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.369 18.470 -8.652 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.067 15.848 -8.337 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.658 17.105 -7.270 1.00 0.00 H new ATOM 830 N VAL A1121 1.605 15.829 -5.649 1.00 0.00 N ATOM 831 CA VAL A1121 0.402 15.008 -5.778 1.00 0.00 C ATOM 832 C VAL A1121 -0.550 15.579 -6.831 1.00 0.00 C ATOM 833 O VAL A1121 -1.303 14.849 -7.474 1.00 0.00 O ATOM 834 CB VAL A1121 -0.330 14.903 -4.423 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.486 13.921 -4.491 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.638 14.502 -3.327 1.00 0.00 C ATOM 0 H VAL A1121 1.708 16.273 -4.736 1.00 0.00 H new ATOM 0 HA VAL A1121 0.716 14.014 -6.097 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.739 15.886 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.979 13.872 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.201 14.252 -5.245 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.109 12.933 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.105 14.433 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.079 13.535 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.427 15.250 -3.246 1.00 0.00 H new ATOM 846 N SER A1122 -0.495 16.887 -7.016 1.00 0.00 N ATOM 847 CA SER A1122 -1.354 17.562 -7.975 1.00 0.00 C ATOM 848 C SER A1122 -0.942 17.230 -9.413 1.00 0.00 C ATOM 849 O SER A1122 -1.718 17.413 -10.351 1.00 0.00 O ATOM 850 CB SER A1122 -1.283 19.065 -7.734 1.00 0.00 C ATOM 851 OG SER A1122 -1.415 19.354 -6.353 1.00 0.00 O ATOM 0 H SER A1122 0.139 17.506 -6.512 1.00 0.00 H new ATOM 0 HA SER A1122 -2.379 17.217 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A1122 -0.334 19.454 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A1122 -2.073 19.566 -8.293 1.00 0.00 H new ATOM 0 HG SER A1122 -1.366 20.323 -6.215 1.00 0.00 H new ATOM 857 N PHE A1123 0.272 16.714 -9.568 1.00 0.00 N ATOM 858 CA PHE A1123 0.811 16.385 -10.881 1.00 0.00 C ATOM 859 C PHE A1123 0.549 14.926 -11.240 1.00 0.00 C ATOM 860 O PHE A1123 0.989 14.447 -12.286 1.00 0.00 O ATOM 861 CB PHE A1123 2.319 16.654 -10.917 1.00 0.00 C ATOM 862 CG PHE A1123 2.686 18.095 -11.135 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.189 19.097 -10.314 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.542 18.442 -12.164 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.539 20.417 -10.521 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.895 19.758 -12.378 1.00 0.00 C ATOM 867 CZ PHE A1123 3.393 20.750 -11.557 1.00 0.00 C ATOM 0 H PHE A1123 0.905 16.514 -8.794 1.00 0.00 H new ATOM 0 HA PHE A1123 0.307 17.017 -11.612 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.759 16.317 -9.978 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.764 16.054 -11.711 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.521 18.842 -9.504 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.940 17.672 -12.809 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.146 21.188 -9.875 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.564 20.013 -13.187 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.666 21.781 -11.724 1.00 0.00 H new ATOM 877 N VAL A1124 -0.163 14.220 -10.374 1.00 0.00 N ATOM 878 CA VAL A1124 -0.424 12.802 -10.581 1.00 0.00 C ATOM 879 C VAL A1124 -1.893 12.473 -10.322 1.00 0.00 C ATOM 880 O VAL A1124 -2.640 13.286 -9.774 1.00 0.00 O ATOM 881 CB VAL A1124 0.456 11.923 -9.654 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.938 12.164 -9.905 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.118 12.171 -8.192 1.00 0.00 C ATOM 0 H VAL A1124 -0.570 14.605 -9.522 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.178 12.583 -11.620 1.00 0.00 H new ATOM 0 HB VAL A1124 0.240 10.880 -9.887 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.527 11.533 -9.240 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.176 11.921 -10.941 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.174 13.211 -9.715 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.748 11.543 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.293 13.219 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.930 11.928 -8.014 1.00 0.00 H new ATOM 893 N HIS A1125 -2.309 11.299 -10.768 1.00 0.00 N ATOM 894 CA HIS A1125 -3.587 10.732 -10.372 1.00 0.00 C ATOM 895 C HIS A1125 -3.336 9.589 -9.409 1.00 0.00 C ATOM 896 O HIS A1125 -2.230 9.074 -9.351 1.00 0.00 O ATOM 897 CB HIS A1125 -4.358 10.224 -11.586 1.00 0.00 C ATOM 898 CG HIS A1125 -5.211 11.263 -12.234 1.00 0.00 C ATOM 899 ND1 HIS A1125 -5.156 12.602 -11.914 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.155 11.144 -13.187 1.00 0.00 C ATOM 901 CE1 HIS A1125 -6.031 13.261 -12.650 1.00 0.00 C ATOM 902 NE2 HIS A1125 -6.650 12.400 -13.433 1.00 0.00 N ATOM 0 H HIS A1125 -1.774 10.715 -11.411 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.186 11.506 -9.891 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.650 9.839 -12.320 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -4.988 9.388 -11.281 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.465 10.229 -13.669 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -6.210 14.326 -12.616 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -7.377 12.630 -14.110 1.00 0.00 H new ATOM 911 N ILE A1126 -4.346 9.189 -8.662 1.00 0.00 N ATOM 912 CA ILE A1126 -4.181 8.108 -7.693 1.00 0.00 C ATOM 913 C ILE A1126 -4.667 6.794 -8.278 1.00 0.00 C ATOM 914 O ILE A1126 -5.661 6.757 -9.008 1.00 0.00 O ATOM 915 CB ILE A1126 -4.967 8.374 -6.399 1.00 0.00 C ATOM 916 CG1 ILE A1126 -4.644 9.758 -5.814 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.699 7.275 -5.374 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.214 9.913 -5.343 1.00 0.00 C ATOM 0 H ILE A1126 -5.284 9.588 -8.701 1.00 0.00 H new ATOM 0 HA ILE A1126 -3.117 8.055 -7.460 1.00 0.00 H new ATOM 0 HB ILE A1126 -6.028 8.365 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -4.850 10.517 -6.569 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -5.314 9.951 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -5.264 7.480 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -5.007 6.313 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.635 7.246 -5.141 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.069 10.917 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -3.006 9.180 -4.564 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -2.536 9.754 -6.181 1.00 0.00 H new ATOM 930 N LEU A1127 -3.962 5.724 -7.961 1.00 0.00 N ATOM 931 CA LEU A1127 -4.334 4.400 -8.413 1.00 0.00 C ATOM 932 C LEU A1127 -4.596 3.506 -7.217 1.00 0.00 C ATOM 933 O LEU A1127 -3.754 3.395 -6.324 1.00 0.00 O ATOM 934 CB LEU A1127 -3.217 3.774 -9.247 1.00 0.00 C ATOM 935 CG LEU A1127 -2.349 4.754 -10.028 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.234 4.012 -10.747 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.186 5.540 -11.030 1.00 0.00 C ATOM 0 H LEU A1127 -3.120 5.749 -7.386 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.231 4.493 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.574 3.195 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -3.664 3.072 -9.951 1.00 0.00 H new ATOM 0 HG LEU A1127 -1.909 5.457 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -0.622 4.724 -11.301 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -0.614 3.491 -10.017 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -1.665 3.289 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.545 6.233 -11.575 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -3.655 4.851 -11.732 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -3.957 6.099 -10.500 1.00 0.00 H new ATOM 949 N SER A1128 -5.756 2.878 -7.192 1.00 0.00 N ATOM 950 CA SER A1128 -6.022 1.846 -6.212 1.00 0.00 C ATOM 951 C SER A1128 -5.653 0.503 -6.833 1.00 0.00 C ATOM 952 O SER A1128 -5.908 -0.571 -6.281 1.00 0.00 O ATOM 953 CB SER A1128 -7.489 1.882 -5.778 1.00 0.00 C ATOM 954 OG SER A1128 -7.748 0.941 -4.749 1.00 0.00 O ATOM 0 H SER A1128 -6.525 3.064 -7.836 1.00 0.00 H new ATOM 0 HA SER A1128 -5.425 2.008 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A1128 -7.742 2.883 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A1128 -8.129 1.671 -6.635 1.00 0.00 H new ATOM 0 HG SER A1128 -7.216 0.133 -4.903 1.00 0.00 H new ATOM 960 N ASP A1129 -5.032 0.600 -7.994 1.00 0.00 N ATOM 961 CA ASP A1129 -4.588 -0.556 -8.755 1.00 0.00 C ATOM 962 C ASP A1129 -3.074 -0.596 -8.773 1.00 0.00 C ATOM 963 O ASP A1129 -2.476 0.239 -9.483 1.00 0.00 O ATOM 964 CB ASP A1129 -5.108 -0.498 -10.196 1.00 0.00 C ATOM 965 CG ASP A1129 -6.603 -0.686 -10.299 1.00 0.00 C ATOM 966 OD1 ASP A1129 -7.350 0.295 -10.100 1.00 0.00 O ATOM 967 OD2 ASP A1129 -7.040 -1.817 -10.599 1.00 0.00 O ATOM 968 OXT ASP A1129 -2.490 -1.453 -8.083 1.00 0.00 O ATOM 0 H ASP A1129 -4.819 1.492 -8.441 1.00 0.00 H new ATOM 0 HA ASP A1129 -4.983 -1.453 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -4.839 0.463 -10.634 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -4.610 -1.268 -10.786 1.00 0.00 H new TER 973 ASP A1129