USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS :FLIP no HD1:sc= -1.04 F(o=-1.7,f=-1) USER MOD Set 1.2: A 45 MET CE :methyl -129:sc= 0 (180deg=-1.94!) USER MOD Set 2.1: A 26 MET CE :methyl 168:sc= -2.96 (180deg=-2.14!) USER MOD Set 2.2: A 40 HIS : no HD1:sc= -2.99 X(o=-6,f=-6) USER MOD Single : A 3 ASN : amide:sc= -0.919 K(o=-0.92,f=-7.7!) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= -2 (180deg=-2.78!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.35) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.152 (180deg=-0.74) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 47 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.1!) USER MOD Single : A 48 ASN : amide:sc=-0.00846 X(o=-0.0085,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.5!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 45:sc= 0.925 USER MOD Single : A 70 ASN : amide:sc= -0.0219 X(o=-0.022,f=0.068) USER MOD Single : A 72 THR OG1 : rot 82:sc= 0.197 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.662 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -56:sc= 0.478 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.295 8.364 4.553 1.00 0.00 N ATOM 21 CA VAL A 2 -8.938 8.904 4.465 1.00 0.00 C ATOM 22 C VAL A 2 -8.306 8.585 3.109 1.00 0.00 C ATOM 23 O VAL A 2 -7.813 7.477 2.888 1.00 0.00 O ATOM 24 CB VAL A 2 -8.028 8.360 5.591 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.318 9.068 6.908 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.192 6.852 5.741 1.00 0.00 C ATOM 0 HA VAL A 2 -9.024 9.985 4.579 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.993 8.562 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.667 8.670 7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.136 10.137 6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.359 8.905 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.542 6.493 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.229 6.621 5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.923 6.362 4.805 1.00 0.00 H new ATOM 36 N ASN A 3 -8.325 9.560 2.202 1.00 0.00 N ATOM 37 CA ASN A 3 -7.754 9.376 0.866 1.00 0.00 C ATOM 38 C ASN A 3 -6.241 9.589 0.881 1.00 0.00 C ATOM 39 O ASN A 3 -5.759 10.704 1.090 1.00 0.00 O ATOM 40 CB ASN A 3 -8.416 10.316 -0.153 1.00 0.00 C ATOM 41 CG ASN A 3 -8.282 11.789 0.203 1.00 0.00 C ATOM 42 OD1 ASN A 3 -8.138 12.150 1.371 1.00 0.00 O ATOM 43 ND2 ASN A 3 -8.332 12.650 -0.810 1.00 0.00 N ATOM 0 H ASN A 3 -8.728 10.483 2.365 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.953 8.348 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.972 10.146 -1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.474 10.065 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.250 13.651 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.453 12.309 -1.764 1.00 0.00 H new ATOM 50 N VAL A 4 -5.499 8.506 0.658 1.00 0.00 N ATOM 51 CA VAL A 4 -4.038 8.559 0.647 1.00 0.00 C ATOM 52 C VAL A 4 -3.484 8.352 -0.765 1.00 0.00 C ATOM 53 O VAL A 4 -3.846 7.396 -1.453 1.00 0.00 O ATOM 54 CB VAL A 4 -3.427 7.499 1.591 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.638 7.887 3.049 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.015 6.122 1.306 1.00 0.00 C ATOM 0 H VAL A 4 -5.886 7.579 0.482 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.758 9.552 0.999 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.354 7.456 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.200 7.126 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.160 8.847 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.706 7.966 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.572 5.390 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.094 6.149 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.800 5.841 0.275 1.00 0.00 H new ATOM 66 N LYS A 5 -2.601 9.260 -1.184 1.00 0.00 N ATOM 67 CA LYS A 5 -1.986 9.190 -2.509 1.00 0.00 C ATOM 68 C LYS A 5 -0.760 8.280 -2.488 1.00 0.00 C ATOM 69 O LYS A 5 0.213 8.553 -1.781 1.00 0.00 O ATOM 70 CB LYS A 5 -1.584 10.591 -2.983 1.00 0.00 C ATOM 71 CG LYS A 5 -1.407 10.702 -4.491 1.00 0.00 C ATOM 72 CD LYS A 5 -0.002 10.303 -4.922 1.00 0.00 C ATOM 73 CE LYS A 5 0.836 11.518 -5.298 1.00 0.00 C ATOM 74 NZ LYS A 5 2.177 11.501 -4.647 1.00 0.00 N ATOM 0 H LYS A 5 -2.295 10.055 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.718 8.775 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.343 11.305 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.652 10.876 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.136 10.065 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.608 11.726 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.487 9.760 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.061 9.624 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.960 11.551 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.306 12.426 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.521 12.476 -4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.103 11.051 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.843 10.964 -5.238 1.00 0.00 H new ATOM 88 N VAL A 6 -0.811 7.201 -3.267 1.00 0.00 N ATOM 89 CA VAL A 6 0.298 6.253 -3.338 1.00 0.00 C ATOM 90 C VAL A 6 0.806 6.092 -4.769 1.00 0.00 C ATOM 91 O VAL A 6 0.035 6.177 -5.725 1.00 0.00 O ATOM 92 CB VAL A 6 -0.098 4.866 -2.788 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.068 4.860 -1.266 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.467 4.450 -3.302 1.00 0.00 C ATOM 0 H VAL A 6 -1.608 6.962 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 6 1.094 6.666 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 6 0.632 4.140 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.350 3.873 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.938 5.101 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.770 5.602 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.724 3.470 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.212 5.179 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.448 4.403 -4.391 1.00 0.00 H new ATOM 104 N GLU A 7 2.109 5.851 -4.905 1.00 0.00 N ATOM 105 CA GLU A 7 2.725 5.670 -6.216 1.00 0.00 C ATOM 106 C GLU A 7 3.355 4.283 -6.324 1.00 0.00 C ATOM 107 O GLU A 7 4.391 4.014 -5.712 1.00 0.00 O ATOM 108 CB GLU A 7 3.780 6.751 -6.459 1.00 0.00 C ATOM 109 CG GLU A 7 3.382 7.760 -7.524 1.00 0.00 C ATOM 110 CD GLU A 7 4.282 8.982 -7.536 1.00 0.00 C ATOM 111 OE1 GLU A 7 5.519 8.811 -7.607 1.00 0.00 O ATOM 112 OE2 GLU A 7 3.749 10.110 -7.472 1.00 0.00 O ATOM 0 H GLU A 7 2.758 5.777 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 7 1.950 5.758 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.970 7.278 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.715 6.275 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.413 7.281 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.352 8.074 -7.355 1.00 0.00 H new ATOM 119 N PHE A 8 2.720 3.407 -7.101 1.00 0.00 N ATOM 120 CA PHE A 8 3.213 2.043 -7.287 1.00 0.00 C ATOM 121 C PHE A 8 4.259 1.978 -8.398 1.00 0.00 C ATOM 122 O PHE A 8 4.035 2.462 -9.507 1.00 0.00 O ATOM 123 CB PHE A 8 2.056 1.093 -7.609 1.00 0.00 C ATOM 124 CG PHE A 8 1.078 0.918 -6.479 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.489 0.398 -5.259 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.253 1.267 -6.638 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.590 0.231 -4.223 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.156 1.100 -5.605 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.735 0.582 -4.397 1.00 0.00 C ATOM 0 H PHE A 8 1.863 3.617 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 8 3.683 1.732 -6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.523 1.468 -8.483 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.463 0.118 -7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.523 0.121 -5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.589 1.674 -7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.923 -0.173 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.191 1.375 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.440 0.451 -3.589 1.00 0.00 H new ATOM 139 N LEU A 9 5.405 1.374 -8.085 1.00 0.00 N ATOM 140 CA LEU A 9 6.497 1.240 -9.044 1.00 0.00 C ATOM 141 C LEU A 9 7.092 -0.165 -9.001 1.00 0.00 C ATOM 142 O LEU A 9 7.092 -0.816 -7.954 1.00 0.00 O ATOM 143 CB LEU A 9 7.588 2.275 -8.750 1.00 0.00 C ATOM 144 CG LEU A 9 7.221 3.719 -9.095 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.304 4.306 -8.035 1.00 0.00 C ATOM 146 CD2 LEU A 9 8.471 4.571 -9.244 1.00 0.00 C ATOM 0 H LEU A 9 5.600 0.968 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 9 6.095 1.414 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.840 2.224 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.485 2.002 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 9 6.691 3.716 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.054 5.334 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.390 3.714 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.809 4.292 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.187 5.594 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.030 4.564 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.094 4.166 -10.042 1.00 0.00 H new ATOM 158 N GLY A 10 7.601 -0.625 -10.144 1.00 0.00 N ATOM 159 CA GLY A 10 8.196 -1.947 -10.220 1.00 0.00 C ATOM 160 C GLY A 10 7.310 -2.941 -10.942 1.00 0.00 C ATOM 161 O GLY A 10 7.239 -2.935 -12.170 1.00 0.00 O ATOM 0 H GLY A 10 7.611 -0.102 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.156 -1.881 -10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.397 -2.310 -9.212 1.00 0.00 H new ATOM 165 N GLY A 11 6.634 -3.795 -10.176 1.00 0.00 N ATOM 166 CA GLY A 11 5.754 -4.794 -10.762 1.00 0.00 C ATOM 167 C GLY A 11 4.391 -4.855 -10.088 1.00 0.00 C ATOM 168 O GLY A 11 3.735 -5.897 -10.109 1.00 0.00 O ATOM 0 H GLY A 11 6.680 -3.813 -9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.620 -4.575 -11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.230 -5.773 -10.696 1.00 0.00 H new ATOM 172 N LEU A 12 3.961 -3.739 -9.494 1.00 0.00 N ATOM 173 CA LEU A 12 2.664 -3.676 -8.819 1.00 0.00 C ATOM 174 C LEU A 12 1.605 -3.060 -9.733 1.00 0.00 C ATOM 175 O LEU A 12 0.470 -3.535 -9.788 1.00 0.00 O ATOM 176 CB LEU A 12 2.772 -2.867 -7.523 1.00 0.00 C ATOM 177 CG LEU A 12 2.938 -3.701 -6.249 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.239 -2.803 -5.057 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.691 -4.538 -5.991 1.00 0.00 C ATOM 0 H LEU A 12 4.492 -2.868 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 12 2.361 -4.694 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.620 -2.187 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.878 -2.251 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 12 3.781 -4.378 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.354 -3.413 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.161 -2.251 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.418 -2.100 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.828 -5.124 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.830 -3.881 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.523 -5.209 -6.833 1.00 0.00 H new ATOM 191 N ASP A 13 1.990 -2.004 -10.453 1.00 0.00 N ATOM 192 CA ASP A 13 1.082 -1.320 -11.375 1.00 0.00 C ATOM 193 C ASP A 13 0.624 -2.248 -12.500 1.00 0.00 C ATOM 194 O ASP A 13 -0.503 -2.133 -12.983 1.00 0.00 O ATOM 195 CB ASP A 13 1.755 -0.078 -11.973 1.00 0.00 C ATOM 196 CG ASP A 13 3.106 -0.378 -12.596 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.141 -0.757 -13.785 1.00 0.00 O ATOM 198 OD2 ASP A 13 4.127 -0.243 -11.888 1.00 0.00 O ATOM 0 H ASP A 13 2.927 -1.603 -10.415 1.00 0.00 H new ATOM 0 HA ASP A 13 0.206 -1.015 -10.803 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.100 0.355 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.880 0.672 -11.192 1.00 0.00 H new ATOM 203 N ALA A 14 1.502 -3.164 -12.913 1.00 0.00 N ATOM 204 CA ALA A 14 1.183 -4.108 -13.982 1.00 0.00 C ATOM 205 C ALA A 14 0.073 -5.069 -13.561 1.00 0.00 C ATOM 206 O ALA A 14 -0.724 -5.511 -14.390 1.00 0.00 O ATOM 207 CB ALA A 14 2.425 -4.888 -14.394 1.00 0.00 C ATOM 0 H ALA A 14 2.438 -3.271 -12.523 1.00 0.00 H new ATOM 0 HA ALA A 14 0.827 -3.533 -14.837 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.169 -5.586 -15.191 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.188 -4.196 -14.750 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.808 -5.441 -13.537 1.00 0.00 H new ATOM 213 N ILE A 15 0.029 -5.389 -12.268 1.00 0.00 N ATOM 214 CA ILE A 15 -0.978 -6.299 -11.731 1.00 0.00 C ATOM 215 C ILE A 15 -2.347 -5.623 -11.639 1.00 0.00 C ATOM 216 O ILE A 15 -3.363 -6.213 -12.009 1.00 0.00 O ATOM 217 CB ILE A 15 -0.580 -6.818 -10.333 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.865 -7.330 -10.333 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.534 -7.917 -9.886 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.335 -7.821 -8.980 1.00 0.00 C ATOM 0 H ILE A 15 0.682 -5.029 -11.572 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.039 -7.140 -12.421 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.647 -5.989 -9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.954 -8.141 -11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.525 -6.530 -10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.241 -8.274 -8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.549 -7.522 -9.843 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.496 -8.743 -10.596 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.366 -8.168 -9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.279 -7.007 -8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.699 -8.643 -8.650 1.00 0.00 H new ATOM 232 N PHE A 16 -2.368 -4.389 -11.136 1.00 0.00 N ATOM 233 CA PHE A 16 -3.613 -3.636 -10.988 1.00 0.00 C ATOM 234 C PHE A 16 -4.239 -3.328 -12.349 1.00 0.00 C ATOM 235 O PHE A 16 -5.267 -3.900 -12.712 1.00 0.00 O ATOM 236 CB PHE A 16 -3.360 -2.332 -10.227 1.00 0.00 C ATOM 237 CG PHE A 16 -3.343 -2.492 -8.732 1.00 0.00 C ATOM 238 CD1 PHE A 16 -2.338 -3.215 -8.108 1.00 0.00 C ATOM 239 CD2 PHE A 16 -4.330 -1.914 -7.951 1.00 0.00 C ATOM 240 CE1 PHE A 16 -2.319 -3.357 -6.735 1.00 0.00 C ATOM 241 CE2 PHE A 16 -4.317 -2.054 -6.578 1.00 0.00 C ATOM 242 CZ PHE A 16 -3.310 -2.776 -5.968 1.00 0.00 C ATOM 0 H PHE A 16 -1.536 -3.889 -10.824 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.310 -4.254 -10.421 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.406 -1.914 -10.549 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.131 -1.610 -10.497 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.561 -3.672 -8.703 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.119 -1.347 -8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.530 -3.922 -6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.094 -1.599 -5.981 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.297 -2.886 -4.894 1.00 0.00 H new ATOM 252 N GLY A 17 -3.610 -2.418 -13.092 1.00 0.00 N ATOM 253 CA GLY A 17 -4.116 -2.041 -14.401 1.00 0.00 C ATOM 254 C GLY A 17 -3.223 -1.035 -15.102 1.00 0.00 C ATOM 255 O GLY A 17 -3.708 -0.047 -15.657 1.00 0.00 O ATOM 0 H GLY A 17 -2.757 -1.935 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.210 -2.933 -15.021 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.116 -1.621 -14.293 1.00 0.00 H new ATOM 259 N LYS A 18 -1.913 -1.288 -15.075 1.00 0.00 N ATOM 260 CA LYS A 18 -0.934 -0.405 -15.708 1.00 0.00 C ATOM 261 C LYS A 18 -1.044 1.022 -15.159 1.00 0.00 C ATOM 262 O LYS A 18 -1.202 1.981 -15.919 1.00 0.00 O ATOM 263 CB LYS A 18 -1.120 -0.406 -17.232 1.00 0.00 C ATOM 264 CG LYS A 18 -1.068 -1.793 -17.858 1.00 0.00 C ATOM 265 CD LYS A 18 -1.664 -1.798 -19.258 1.00 0.00 C ATOM 266 CE LYS A 18 -2.466 -3.066 -19.521 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.258 -3.589 -20.903 1.00 0.00 N ATOM 0 H LYS A 18 -1.505 -2.103 -14.618 1.00 0.00 H new ATOM 0 HA LYS A 18 0.062 -0.782 -15.475 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.078 0.055 -17.472 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.346 0.215 -17.683 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.034 -2.135 -17.901 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.611 -2.498 -17.228 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.307 -0.927 -19.383 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.865 -1.713 -19.995 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.181 -3.831 -18.798 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.526 -2.862 -19.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.823 -4.452 -21.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.554 -2.871 -21.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.251 -3.809 -21.043 1.00 0.00 H new ATOM 281 N GLN A 19 -0.961 1.156 -13.833 1.00 0.00 N ATOM 282 CA GLN A 19 -1.053 2.464 -13.186 1.00 0.00 C ATOM 283 C GLN A 19 0.067 2.649 -12.161 1.00 0.00 C ATOM 284 O GLN A 19 0.039 2.052 -11.083 1.00 0.00 O ATOM 285 CB GLN A 19 -2.420 2.633 -12.511 1.00 0.00 C ATOM 286 CG GLN A 19 -3.130 3.925 -12.887 1.00 0.00 C ATOM 287 CD GLN A 19 -4.628 3.867 -12.645 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.170 4.643 -11.858 1.00 0.00 O ATOM 289 NE2 GLN A 19 -5.308 2.946 -13.321 1.00 0.00 N ATOM 0 H GLN A 19 -0.831 0.376 -13.189 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.942 3.228 -13.955 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.055 1.788 -12.779 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.288 2.602 -11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.706 4.748 -12.312 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.945 4.143 -13.939 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.821 2.322 -13.964 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.317 2.864 -13.197 1.00 0.00 H new ATOM 298 N ARG A 20 1.048 3.490 -12.506 1.00 0.00 N ATOM 299 CA ARG A 20 2.180 3.765 -11.618 1.00 0.00 C ATOM 300 C ARG A 20 1.755 4.564 -10.378 1.00 0.00 C ATOM 301 O ARG A 20 2.542 4.735 -9.448 1.00 0.00 O ATOM 302 CB ARG A 20 3.279 4.520 -12.376 1.00 0.00 C ATOM 303 CG ARG A 20 4.391 3.619 -12.891 1.00 0.00 C ATOM 304 CD ARG A 20 5.760 4.261 -12.718 1.00 0.00 C ATOM 305 NE ARG A 20 6.796 3.276 -12.395 1.00 0.00 N ATOM 306 CZ ARG A 20 8.105 3.549 -12.362 1.00 0.00 C ATOM 307 NH1 ARG A 20 8.549 4.776 -12.630 1.00 0.00 N ATOM 308 NH2 ARG A 20 8.975 2.593 -12.054 1.00 0.00 N ATOM 0 H ARG A 20 1.080 3.991 -13.394 1.00 0.00 H new ATOM 0 HA ARG A 20 2.568 2.805 -11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.831 5.048 -13.218 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.710 5.275 -11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.365 2.668 -12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.223 3.399 -13.945 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.032 4.785 -13.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.712 5.008 -11.926 1.00 0.00 H new ATOM 0 HE ARG A 20 6.501 2.323 -12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.889 5.518 -12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.549 4.974 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.645 1.651 -11.843 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.973 2.801 -12.029 1.00 0.00 H new ATOM 322 N VAL A 21 0.510 5.048 -10.364 1.00 0.00 N ATOM 323 CA VAL A 21 -0.004 5.813 -9.233 1.00 0.00 C ATOM 324 C VAL A 21 -1.448 5.418 -8.932 1.00 0.00 C ATOM 325 O VAL A 21 -2.249 5.219 -9.848 1.00 0.00 O ATOM 326 CB VAL A 21 0.078 7.334 -9.489 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.767 7.726 -10.692 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.344 8.114 -8.250 1.00 0.00 C ATOM 0 H VAL A 21 -0.158 4.922 -11.125 1.00 0.00 H new ATOM 0 HA VAL A 21 0.622 5.579 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 21 1.115 7.586 -9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.694 8.802 -10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.406 7.201 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.807 7.456 -10.509 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.278 9.183 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.371 7.856 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.315 7.862 -7.419 1.00 0.00 H new ATOM 338 N HIS A 22 -1.770 5.296 -7.647 1.00 0.00 N ATOM 339 CA HIS A 22 -3.115 4.913 -7.228 1.00 0.00 C ATOM 340 C HIS A 22 -3.528 5.641 -5.949 1.00 0.00 C ATOM 341 O HIS A 22 -2.705 6.274 -5.287 1.00 0.00 O ATOM 342 CB HIS A 22 -3.179 3.398 -7.010 1.00 0.00 C ATOM 343 CG HIS A 22 -4.116 2.685 -7.941 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.808 1.532 -7.784 1.00 0.00 N flip ATOM 345 CD2 HIS A 22 -4.430 3.148 -9.205 1.00 0.00 C flip ATOM 346 CE1 HIS A 22 -5.517 1.322 -8.941 1.00 0.00 C flip ATOM 347 NE2 HIS A 22 -5.273 2.309 -9.781 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.119 5.457 -6.879 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.810 5.199 -8.018 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.179 2.982 -7.129 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.485 3.202 -5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.047 4.053 -9.652 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.170 0.483 -9.132 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.668 2.408 -10.716 1.00 0.00 H new ATOM 356 N LYS A 23 -4.813 5.544 -5.607 1.00 0.00 N ATOM 357 CA LYS A 23 -5.338 6.187 -4.406 1.00 0.00 C ATOM 358 C LYS A 23 -6.323 5.271 -3.685 1.00 0.00 C ATOM 359 O LYS A 23 -7.078 4.534 -4.321 1.00 0.00 O ATOM 360 CB LYS A 23 -6.016 7.511 -4.761 1.00 0.00 C ATOM 361 CG LYS A 23 -5.484 8.693 -3.968 1.00 0.00 C ATOM 362 CD LYS A 23 -6.331 9.934 -4.183 1.00 0.00 C ATOM 363 CE LYS A 23 -5.470 11.182 -4.296 1.00 0.00 C ATOM 364 NZ LYS A 23 -6.257 12.426 -4.069 1.00 0.00 N ATOM 0 H LYS A 23 -5.508 5.026 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.501 6.388 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.881 7.706 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.088 7.420 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.467 8.443 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.455 8.898 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.926 9.818 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.030 10.047 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.658 11.129 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.012 11.218 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.632 13.253 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.016 12.491 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.673 12.404 -3.116 1.00 0.00 H new ATOM 378 N ILE A 24 -6.302 5.316 -2.352 1.00 0.00 N ATOM 379 CA ILE A 24 -7.189 4.481 -1.544 1.00 0.00 C ATOM 380 C ILE A 24 -7.804 5.274 -0.394 1.00 0.00 C ATOM 381 O ILE A 24 -7.203 6.224 0.110 1.00 0.00 O ATOM 382 CB ILE A 24 -6.441 3.256 -0.967 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.542 2.619 -2.032 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.430 2.232 -0.423 1.00 0.00 C ATOM 385 CD1 ILE A 24 -4.150 3.209 -2.082 1.00 0.00 C ATOM 0 H ILE A 24 -5.683 5.920 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.983 4.136 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.811 3.597 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.467 1.549 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.012 2.735 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.885 1.378 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.026 2.687 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.087 1.898 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.571 2.709 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.214 4.274 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.661 3.069 -1.118 1.00 0.00 H new ATOM 397 N LYS A 25 -9.007 4.871 0.016 1.00 0.00 N ATOM 398 CA LYS A 25 -9.711 5.533 1.109 1.00 0.00 C ATOM 399 C LYS A 25 -10.300 4.507 2.077 1.00 0.00 C ATOM 400 O LYS A 25 -11.341 3.905 1.803 1.00 0.00 O ATOM 401 CB LYS A 25 -10.816 6.446 0.564 1.00 0.00 C ATOM 402 CG LYS A 25 -11.674 5.803 -0.519 1.00 0.00 C ATOM 403 CD LYS A 25 -12.538 6.831 -1.232 1.00 0.00 C ATOM 404 CE LYS A 25 -11.865 7.347 -2.496 1.00 0.00 C ATOM 405 NZ LYS A 25 -10.796 8.342 -2.196 1.00 0.00 N ATOM 0 H LYS A 25 -9.513 4.087 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.991 6.144 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.460 6.752 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.360 7.351 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.032 5.302 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.310 5.038 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.500 6.385 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.741 7.665 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.436 6.509 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.613 7.804 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.601 8.909 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.110 8.968 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.930 7.844 -1.906 1.00 0.00 H new ATOM 419 N MET A 26 -9.626 4.311 3.212 1.00 0.00 N ATOM 420 CA MET A 26 -10.086 3.359 4.221 1.00 0.00 C ATOM 421 C MET A 26 -11.236 3.946 5.033 1.00 0.00 C ATOM 422 O MET A 26 -11.108 5.024 5.619 1.00 0.00 O ATOM 423 CB MET A 26 -8.937 2.961 5.153 1.00 0.00 C ATOM 424 CG MET A 26 -8.599 1.479 5.104 1.00 0.00 C ATOM 425 SD MET A 26 -8.854 0.657 6.689 1.00 0.00 S ATOM 426 CE MET A 26 -9.131 -1.034 6.162 1.00 0.00 C ATOM 0 H MET A 26 -8.763 4.798 3.454 1.00 0.00 H new ATOM 0 HA MET A 26 -10.443 2.468 3.704 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.050 3.536 4.889 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.199 3.232 6.176 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.213 0.995 4.345 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.560 1.357 4.799 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.092 -1.696 7.027 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.110 -1.112 5.689 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.360 -1.324 5.448 1.00 0.00 H new ATOM 436 N ASP A 27 -12.359 3.230 5.063 1.00 0.00 N ATOM 437 CA ASP A 27 -13.536 3.676 5.802 1.00 0.00 C ATOM 438 C ASP A 27 -13.483 3.193 7.253 1.00 0.00 C ATOM 439 O ASP A 27 -14.268 2.337 7.668 1.00 0.00 O ATOM 440 CB ASP A 27 -14.811 3.176 5.113 1.00 0.00 C ATOM 441 CG ASP A 27 -16.025 4.032 5.427 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.900 5.276 5.414 1.00 0.00 O ATOM 443 OD2 ASP A 27 -17.104 3.457 5.680 1.00 0.00 O ATOM 0 H ASP A 27 -12.477 2.338 4.583 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.547 4.766 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.653 3.160 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.007 2.149 5.422 1.00 0.00 H new ATOM 448 N LYS A 28 -12.543 3.750 8.017 1.00 0.00 N ATOM 449 CA LYS A 28 -12.369 3.388 9.421 1.00 0.00 C ATOM 450 C LYS A 28 -12.239 4.646 10.288 1.00 0.00 C ATOM 451 O LYS A 28 -12.657 5.733 9.878 1.00 0.00 O ATOM 452 CB LYS A 28 -11.134 2.485 9.579 1.00 0.00 C ATOM 453 CG LYS A 28 -11.313 1.365 10.596 1.00 0.00 C ATOM 454 CD LYS A 28 -11.060 -0.001 9.976 1.00 0.00 C ATOM 455 CE LYS A 28 -10.316 -0.925 10.930 1.00 0.00 C ATOM 456 NZ LYS A 28 -11.235 -1.603 11.889 1.00 0.00 N ATOM 0 H LYS A 28 -11.888 4.457 7.683 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.248 2.838 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.890 2.048 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.283 3.099 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.629 1.518 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.324 1.399 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.011 -0.455 9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.482 0.117 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.774 -1.676 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.574 -0.351 11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.685 -2.222 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.734 -0.888 12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.928 -2.173 11.362 1.00 0.00 H new ATOM 470 N GLU A 29 -11.660 4.495 11.482 1.00 0.00 N ATOM 471 CA GLU A 29 -11.474 5.617 12.404 1.00 0.00 C ATOM 472 C GLU A 29 -10.500 6.651 11.830 1.00 0.00 C ATOM 473 O GLU A 29 -10.111 6.572 10.664 1.00 0.00 O ATOM 474 CB GLU A 29 -10.957 5.106 13.754 1.00 0.00 C ATOM 475 CG GLU A 29 -11.696 5.683 14.955 1.00 0.00 C ATOM 476 CD GLU A 29 -12.225 4.618 15.903 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.566 3.567 16.053 1.00 0.00 O ATOM 478 OE2 GLU A 29 -13.299 4.841 16.500 1.00 0.00 O ATOM 0 H GLU A 29 -11.311 3.603 11.833 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.440 6.102 12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.040 4.019 13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.898 5.347 13.841 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.025 6.346 15.502 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.528 6.292 14.603 1.00 0.00 H new ATOM 485 N ASP A 30 -10.107 7.619 12.657 1.00 0.00 N ATOM 486 CA ASP A 30 -9.174 8.660 12.227 1.00 0.00 C ATOM 487 C ASP A 30 -7.736 8.134 12.208 1.00 0.00 C ATOM 488 O ASP A 30 -7.091 8.134 11.160 1.00 0.00 O ATOM 489 CB ASP A 30 -9.277 9.894 13.134 1.00 0.00 C ATOM 490 CG ASP A 30 -10.194 10.961 12.563 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.343 10.627 12.199 1.00 0.00 O ATOM 492 OD2 ASP A 30 -9.765 12.131 12.480 1.00 0.00 O ATOM 0 H ASP A 30 -10.418 7.704 13.625 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.446 8.952 11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.644 9.591 14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.283 10.316 13.283 1.00 0.00 H new ATOM 497 N PRO A 31 -7.211 7.673 13.365 1.00 0.00 N ATOM 498 CA PRO A 31 -5.844 7.145 13.453 1.00 0.00 C ATOM 499 C PRO A 31 -5.722 5.723 12.898 1.00 0.00 C ATOM 500 O PRO A 31 -5.317 4.799 13.608 1.00 0.00 O ATOM 501 CB PRO A 31 -5.566 7.170 14.956 1.00 0.00 C ATOM 502 CG PRO A 31 -6.902 6.971 15.586 1.00 0.00 C ATOM 503 CD PRO A 31 -7.902 7.630 14.673 1.00 0.00 C ATOM 0 HA PRO A 31 -5.138 7.728 12.862 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.870 6.382 15.244 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.120 8.117 15.261 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.123 5.910 15.703 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.933 7.415 16.581 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.829 7.060 14.617 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.163 8.630 15.021 1.00 0.00 H new ATOM 511 N VAL A 32 -6.070 5.556 11.621 1.00 0.00 N ATOM 512 CA VAL A 32 -5.994 4.250 10.971 1.00 0.00 C ATOM 513 C VAL A 32 -4.544 3.858 10.709 1.00 0.00 C ATOM 514 O VAL A 32 -3.762 4.655 10.186 1.00 0.00 O ATOM 515 CB VAL A 32 -6.766 4.223 9.634 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.800 2.812 9.066 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.176 4.764 9.812 1.00 0.00 C ATOM 0 H VAL A 32 -6.406 6.308 11.019 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.454 3.536 11.654 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.244 4.867 8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.348 2.812 8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.781 2.465 8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.295 2.147 9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.700 4.735 8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.711 4.153 10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.129 5.793 10.169 1.00 0.00 H new ATOM 527 N THR A 33 -4.192 2.625 11.070 1.00 0.00 N ATOM 528 CA THR A 33 -2.833 2.126 10.869 1.00 0.00 C ATOM 529 C THR A 33 -2.581 1.824 9.395 1.00 0.00 C ATOM 530 O THR A 33 -3.500 1.460 8.658 1.00 0.00 O ATOM 531 CB THR A 33 -2.578 0.871 11.717 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.347 -0.231 11.254 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.885 1.062 13.190 1.00 0.00 C ATOM 0 H THR A 33 -4.828 1.955 11.502 1.00 0.00 H new ATOM 0 HA THR A 33 -2.141 2.905 11.189 1.00 0.00 H new ATOM 0 HB THR A 33 -1.511 0.674 11.608 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.163 -1.016 11.811 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.682 0.136 13.727 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.259 1.859 13.592 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.935 1.329 13.311 1.00 0.00 H new ATOM 541 N VAL A 34 -1.329 1.982 8.970 1.00 0.00 N ATOM 542 CA VAL A 34 -0.951 1.729 7.581 1.00 0.00 C ATOM 543 C VAL A 34 -1.288 0.298 7.158 1.00 0.00 C ATOM 544 O VAL A 34 -1.710 0.065 6.021 1.00 0.00 O ATOM 545 CB VAL A 34 0.546 2.006 7.349 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.414 1.042 8.140 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.884 1.954 5.865 1.00 0.00 C ATOM 0 H VAL A 34 -0.559 2.284 9.567 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.532 2.415 6.965 1.00 0.00 H new ATOM 0 HB VAL A 34 0.758 3.013 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.465 1.263 7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.202 1.150 9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.198 0.020 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.947 2.153 5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.646 0.966 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.302 2.706 5.333 1.00 0.00 H new ATOM 557 N GLY A 35 -1.128 -0.655 8.084 1.00 0.00 N ATOM 558 CA GLY A 35 -1.451 -2.039 7.786 1.00 0.00 C ATOM 559 C GLY A 35 -2.900 -2.196 7.354 1.00 0.00 C ATOM 560 O GLY A 35 -3.231 -3.102 6.587 1.00 0.00 O ATOM 0 H GLY A 35 -0.782 -0.489 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.794 -2.405 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.265 -2.654 8.666 1.00 0.00 H new ATOM 564 N ASP A 36 -3.760 -1.289 7.836 1.00 0.00 N ATOM 565 CA ASP A 36 -5.178 -1.307 7.488 1.00 0.00 C ATOM 566 C ASP A 36 -5.375 -0.889 6.031 1.00 0.00 C ATOM 567 O ASP A 36 -6.156 -1.499 5.302 1.00 0.00 O ATOM 568 CB ASP A 36 -5.975 -0.377 8.413 1.00 0.00 C ATOM 569 CG ASP A 36 -7.033 -1.112 9.220 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.598 -2.102 8.709 1.00 0.00 O ATOM 571 OD2 ASP A 36 -7.297 -0.692 10.364 1.00 0.00 O ATOM 0 H ASP A 36 -3.493 -0.535 8.469 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.547 -2.325 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.288 0.125 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.454 0.398 7.815 1.00 0.00 H new ATOM 576 N LEU A 37 -4.648 0.150 5.615 1.00 0.00 N ATOM 577 CA LEU A 37 -4.725 0.650 4.243 1.00 0.00 C ATOM 578 C LEU A 37 -4.482 -0.481 3.247 1.00 0.00 C ATOM 579 O LEU A 37 -5.294 -0.711 2.349 1.00 0.00 O ATOM 580 CB LEU A 37 -3.699 1.772 4.027 1.00 0.00 C ATOM 581 CG LEU A 37 -4.029 2.767 2.907 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.194 2.051 1.573 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.282 3.564 3.251 1.00 0.00 C ATOM 0 H LEU A 37 -3.998 0.662 6.211 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.725 1.050 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.591 2.325 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.732 1.318 3.812 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.195 3.462 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.427 2.779 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.268 1.535 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.005 1.326 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.500 4.265 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.123 2.883 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.120 4.116 4.177 1.00 0.00 H new ATOM 595 N ILE A 38 -3.367 -1.193 3.419 1.00 0.00 N ATOM 596 CA ILE A 38 -3.032 -2.310 2.536 1.00 0.00 C ATOM 597 C ILE A 38 -4.111 -3.390 2.612 1.00 0.00 C ATOM 598 O ILE A 38 -4.457 -4.006 1.602 1.00 0.00 O ATOM 599 CB ILE A 38 -1.659 -2.931 2.884 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.581 -1.841 2.967 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.272 -3.985 1.853 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.299 -1.945 4.196 1.00 0.00 C ATOM 0 H ILE A 38 -2.685 -1.017 4.157 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.978 -1.913 1.522 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.737 -3.414 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.046 -1.894 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.064 -0.864 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.303 -4.411 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.024 -4.774 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.212 -3.525 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.036 -1.142 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.316 -1.861 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.811 -2.907 4.196 1.00 0.00 H new ATOM 614 N ASP A 39 -4.650 -3.600 3.815 1.00 0.00 N ATOM 615 CA ASP A 39 -5.701 -4.590 4.027 1.00 0.00 C ATOM 616 C ASP A 39 -6.943 -4.252 3.206 1.00 0.00 C ATOM 617 O ASP A 39 -7.563 -5.136 2.615 1.00 0.00 O ATOM 618 CB ASP A 39 -6.066 -4.672 5.511 1.00 0.00 C ATOM 619 CG ASP A 39 -6.437 -6.079 5.934 1.00 0.00 C ATOM 620 OD1 ASP A 39 -5.516 -6.898 6.142 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.646 -6.362 6.058 1.00 0.00 O ATOM 0 H ASP A 39 -4.373 -3.095 4.657 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.322 -5.558 3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.224 -4.325 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.901 -4.001 5.715 1.00 0.00 H new ATOM 626 N HIS A 40 -7.296 -2.966 3.168 1.00 0.00 N ATOM 627 CA HIS A 40 -8.462 -2.514 2.411 1.00 0.00 C ATOM 628 C HIS A 40 -8.292 -2.803 0.919 1.00 0.00 C ATOM 629 O HIS A 40 -9.254 -3.152 0.233 1.00 0.00 O ATOM 630 CB HIS A 40 -8.699 -1.017 2.626 1.00 0.00 C ATOM 631 CG HIS A 40 -10.150 -0.642 2.711 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.095 -1.426 3.340 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.814 0.444 2.247 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.275 -0.839 3.260 1.00 0.00 C ATOM 635 NE2 HIS A 40 -12.133 0.297 2.603 1.00 0.00 N ATOM 0 H HIS A 40 -6.792 -2.222 3.651 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.329 -3.065 2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.198 -0.707 3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.237 -0.464 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.386 1.271 1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.200 -1.223 3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.881 0.958 2.394 1.00 0.00 H new ATOM 644 N ILE A 41 -7.061 -2.658 0.427 1.00 0.00 N ATOM 645 CA ILE A 41 -6.758 -2.907 -0.980 1.00 0.00 C ATOM 646 C ILE A 41 -6.795 -4.402 -1.300 1.00 0.00 C ATOM 647 O ILE A 41 -7.063 -4.793 -2.434 1.00 0.00 O ATOM 648 CB ILE A 41 -5.372 -2.347 -1.371 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.229 -0.893 -0.911 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.161 -2.453 -2.875 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.807 -0.380 -0.961 1.00 0.00 C ATOM 0 H ILE A 41 -6.257 -2.369 0.984 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.526 -2.394 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.607 -2.942 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.857 -0.259 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.603 -0.805 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.180 -2.054 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.219 -3.498 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.933 -1.882 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.782 0.655 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.177 -0.990 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.436 -0.436 -1.984 1.00 0.00 H new ATOM 663 N VAL A 42 -6.517 -5.234 -0.298 1.00 0.00 N ATOM 664 CA VAL A 42 -6.513 -6.684 -0.483 1.00 0.00 C ATOM 665 C VAL A 42 -7.860 -7.321 -0.106 1.00 0.00 C ATOM 666 O VAL A 42 -8.051 -8.523 -0.295 1.00 0.00 O ATOM 667 CB VAL A 42 -5.390 -7.345 0.348 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.288 -8.831 0.036 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.056 -6.650 0.101 1.00 0.00 C ATOM 0 H VAL A 42 -6.292 -4.930 0.649 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.335 -6.859 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.641 -7.237 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.491 -9.274 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.233 -9.318 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.067 -8.966 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.279 -7.131 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.799 -6.720 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.134 -5.601 0.386 1.00 0.00 H new ATOM 679 N SER A 43 -8.790 -6.527 0.431 1.00 0.00 N ATOM 680 CA SER A 43 -10.096 -7.051 0.830 1.00 0.00 C ATOM 681 C SER A 43 -11.176 -6.749 -0.212 1.00 0.00 C ATOM 682 O SER A 43 -11.639 -7.650 -0.912 1.00 0.00 O ATOM 683 CB SER A 43 -10.505 -6.490 2.197 1.00 0.00 C ATOM 684 OG SER A 43 -10.635 -5.080 2.157 1.00 0.00 O ATOM 0 H SER A 43 -8.664 -5.529 0.598 1.00 0.00 H new ATOM 0 HA SER A 43 -10.003 -8.135 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.450 -6.936 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.761 -6.768 2.944 1.00 0.00 H new ATOM 0 HG SER A 43 -10.898 -4.750 3.042 1.00 0.00 H new ATOM 690 N THR A 44 -11.587 -5.483 -0.299 1.00 0.00 N ATOM 691 CA THR A 44 -12.626 -5.076 -1.244 1.00 0.00 C ATOM 692 C THR A 44 -12.036 -4.728 -2.609 1.00 0.00 C ATOM 693 O THR A 44 -12.520 -5.200 -3.638 1.00 0.00 O ATOM 694 CB THR A 44 -13.416 -3.882 -0.694 1.00 0.00 C ATOM 695 OG1 THR A 44 -12.550 -2.799 -0.397 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.197 -4.206 0.564 1.00 0.00 C ATOM 0 H THR A 44 -11.217 -4.724 0.273 1.00 0.00 H new ATOM 0 HA THR A 44 -13.302 -5.922 -1.373 1.00 0.00 H new ATOM 0 HB THR A 44 -14.122 -3.618 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.074 -2.047 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.732 -3.318 0.899 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.911 -5.002 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.510 -4.532 1.345 1.00 0.00 H new ATOM 704 N MET A 45 -10.996 -3.896 -2.610 1.00 0.00 N ATOM 705 CA MET A 45 -10.343 -3.477 -3.849 1.00 0.00 C ATOM 706 C MET A 45 -9.926 -4.684 -4.697 1.00 0.00 C ATOM 707 O MET A 45 -10.303 -4.782 -5.866 1.00 0.00 O ATOM 708 CB MET A 45 -9.131 -2.596 -3.531 1.00 0.00 C ATOM 709 CG MET A 45 -8.553 -1.883 -4.742 1.00 0.00 C ATOM 710 SD MET A 45 -8.049 -0.192 -4.370 1.00 0.00 S ATOM 711 CE MET A 45 -7.139 0.225 -5.853 1.00 0.00 C ATOM 0 H MET A 45 -10.587 -3.498 -1.765 1.00 0.00 H new ATOM 0 HA MET A 45 -11.059 -2.898 -4.432 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.419 -1.853 -2.788 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.354 -3.213 -3.080 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.694 -2.442 -5.113 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.294 -1.871 -5.541 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.162 0.624 -5.580 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.008 -0.669 -6.463 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.692 0.974 -6.420 1.00 0.00 H new ATOM 721 N ILE A 46 -9.156 -5.601 -4.107 1.00 0.00 N ATOM 722 CA ILE A 46 -8.706 -6.793 -4.817 1.00 0.00 C ATOM 723 C ILE A 46 -9.388 -8.043 -4.266 1.00 0.00 C ATOM 724 O ILE A 46 -9.342 -8.304 -3.063 1.00 0.00 O ATOM 725 CB ILE A 46 -7.176 -6.967 -4.715 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.459 -5.687 -5.146 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.716 -8.143 -5.561 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.040 -5.592 -4.633 1.00 0.00 C ATOM 0 H ILE A 46 -8.833 -5.538 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.977 -6.662 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.923 -7.170 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.448 -5.634 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.024 -4.825 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.635 -8.251 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.200 -9.055 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.983 -7.968 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.591 -4.660 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.045 -5.613 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.460 -6.434 -5.010 1.00 0.00 H new ATOM 740 N ASN A 47 -10.021 -8.813 -5.151 1.00 0.00 N ATOM 741 CA ASN A 47 -10.712 -10.033 -4.744 1.00 0.00 C ATOM 742 C ASN A 47 -10.546 -11.138 -5.790 1.00 0.00 C ATOM 743 O ASN A 47 -11.477 -11.447 -6.539 1.00 0.00 O ATOM 744 CB ASN A 47 -12.198 -9.742 -4.504 1.00 0.00 C ATOM 745 CG ASN A 47 -12.683 -10.243 -3.155 1.00 0.00 C ATOM 746 OD1 ASN A 47 -11.997 -11.006 -2.476 1.00 0.00 O ATOM 747 ND2 ASN A 47 -13.876 -9.813 -2.761 1.00 0.00 N ATOM 0 H ASN A 47 -10.069 -8.613 -6.150 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.265 -10.383 -3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.369 -8.668 -4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.787 -10.208 -5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.256 -10.115 -1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.412 -9.181 -3.355 1.00 0.00 H new ATOM 754 N ASN A 48 -9.352 -11.731 -5.835 1.00 0.00 N ATOM 755 CA ASN A 48 -9.058 -12.801 -6.786 1.00 0.00 C ATOM 756 C ASN A 48 -7.690 -13.419 -6.506 1.00 0.00 C ATOM 757 O ASN A 48 -6.675 -12.723 -6.552 1.00 0.00 O ATOM 758 CB ASN A 48 -9.100 -12.266 -8.221 1.00 0.00 C ATOM 759 CG ASN A 48 -9.616 -13.296 -9.207 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.712 -13.156 -9.750 1.00 0.00 O ATOM 761 ND2 ASN A 48 -8.830 -14.342 -9.441 1.00 0.00 N ATOM 0 H ASN A 48 -8.573 -11.487 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.819 -13.573 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.736 -11.381 -8.258 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.099 -11.952 -8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.128 -15.068 -10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.929 -14.419 -8.969 1.00 0.00 H new ATOM 768 N PRO A 49 -7.642 -14.739 -6.210 1.00 0.00 N ATOM 769 CA PRO A 49 -6.384 -15.446 -5.926 1.00 0.00 C ATOM 770 C PRO A 49 -5.438 -15.438 -7.125 1.00 0.00 C ATOM 771 O PRO A 49 -5.309 -16.434 -7.841 1.00 0.00 O ATOM 772 CB PRO A 49 -6.830 -16.878 -5.599 1.00 0.00 C ATOM 773 CG PRO A 49 -8.280 -16.769 -5.281 1.00 0.00 C ATOM 774 CD PRO A 49 -8.801 -15.644 -6.129 1.00 0.00 C ATOM 0 HA PRO A 49 -5.827 -14.973 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.661 -17.546 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.271 -17.282 -4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.800 -17.700 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.434 -16.564 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.114 -15.990 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.663 -15.158 -5.673 1.00 0.00 H new ATOM 782 N ASN A 50 -4.790 -14.297 -7.341 1.00 0.00 N ATOM 783 CA ASN A 50 -3.858 -14.127 -8.449 1.00 0.00 C ATOM 784 C ASN A 50 -3.021 -12.866 -8.255 1.00 0.00 C ATOM 785 O ASN A 50 -1.796 -12.930 -8.208 1.00 0.00 O ATOM 786 CB ASN A 50 -4.614 -14.055 -9.782 1.00 0.00 C ATOM 787 CG ASN A 50 -3.856 -14.722 -10.919 1.00 0.00 C ATOM 788 OD1 ASN A 50 -2.945 -15.518 -10.693 1.00 0.00 O ATOM 789 ND2 ASN A 50 -4.232 -14.403 -12.154 1.00 0.00 N ATOM 0 H ASN A 50 -4.896 -13.468 -6.756 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.192 -14.990 -8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.588 -14.532 -9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.798 -13.011 -10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.760 -14.823 -12.955 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.992 -13.739 -12.300 1.00 0.00 H new ATOM 796 N ASP A 51 -3.695 -11.723 -8.124 1.00 0.00 N ATOM 797 CA ASP A 51 -3.014 -10.446 -7.913 1.00 0.00 C ATOM 798 C ASP A 51 -2.653 -10.262 -6.441 1.00 0.00 C ATOM 799 O ASP A 51 -1.605 -9.704 -6.115 1.00 0.00 O ATOM 800 CB ASP A 51 -3.878 -9.263 -8.393 1.00 0.00 C ATOM 801 CG ASP A 51 -5.372 -9.423 -8.131 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.757 -10.256 -7.286 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.160 -8.702 -8.773 1.00 0.00 O ATOM 0 H ASP A 51 -4.712 -11.656 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.098 -10.463 -8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.531 -8.354 -7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.722 -9.127 -9.463 1.00 0.00 H new ATOM 808 N VAL A 52 -3.526 -10.734 -5.553 1.00 0.00 N ATOM 809 CA VAL A 52 -3.293 -10.622 -4.121 1.00 0.00 C ATOM 810 C VAL A 52 -2.522 -11.834 -3.595 1.00 0.00 C ATOM 811 O VAL A 52 -1.690 -11.701 -2.698 1.00 0.00 O ATOM 812 CB VAL A 52 -4.625 -10.460 -3.353 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.570 -11.121 -1.985 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.976 -8.988 -3.218 1.00 0.00 C ATOM 0 H VAL A 52 -4.400 -11.197 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.689 -9.730 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.404 -10.961 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.525 -10.985 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.370 -12.186 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.776 -10.666 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.916 -8.886 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.185 -8.474 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.080 -8.546 -4.209 1.00 0.00 H new ATOM 824 N SER A 53 -2.799 -13.013 -4.159 1.00 0.00 N ATOM 825 CA SER A 53 -2.126 -14.243 -3.744 1.00 0.00 C ATOM 826 C SER A 53 -0.607 -14.130 -3.905 1.00 0.00 C ATOM 827 O SER A 53 0.147 -14.685 -3.107 1.00 0.00 O ATOM 828 CB SER A 53 -2.649 -15.436 -4.547 1.00 0.00 C ATOM 829 OG SER A 53 -3.826 -15.967 -3.962 1.00 0.00 O ATOM 0 H SER A 53 -3.485 -13.140 -4.904 1.00 0.00 H new ATOM 0 HA SER A 53 -2.345 -14.399 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.856 -15.126 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.883 -16.209 -4.596 1.00 0.00 H new ATOM 0 HG SER A 53 -4.142 -16.727 -4.494 1.00 0.00 H new ATOM 835 N ILE A 54 -0.161 -13.407 -4.935 1.00 0.00 N ATOM 836 CA ILE A 54 1.270 -13.228 -5.177 1.00 0.00 C ATOM 837 C ILE A 54 1.834 -12.093 -4.318 1.00 0.00 C ATOM 838 O ILE A 54 2.945 -12.195 -3.796 1.00 0.00 O ATOM 839 CB ILE A 54 1.572 -12.942 -6.665 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.909 -13.994 -7.559 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.076 -12.915 -6.908 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.890 -13.622 -9.027 1.00 0.00 C ATOM 0 H ILE A 54 -0.766 -12.939 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 54 1.753 -14.165 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 54 1.161 -11.964 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.434 -14.942 -7.440 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.115 -14.152 -7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.271 -12.712 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.529 -12.133 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.505 -13.880 -6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.405 -14.415 -9.597 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.339 -12.691 -9.159 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.912 -13.492 -9.383 1.00 0.00 H new ATOM 854 N PHE A 55 1.057 -11.019 -4.171 1.00 0.00 N ATOM 855 CA PHE A 55 1.471 -9.867 -3.368 1.00 0.00 C ATOM 856 C PHE A 55 1.524 -10.224 -1.878 1.00 0.00 C ATOM 857 O PHE A 55 2.408 -9.765 -1.153 1.00 0.00 O ATOM 858 CB PHE A 55 0.505 -8.697 -3.594 1.00 0.00 C ATOM 859 CG PHE A 55 0.883 -7.432 -2.868 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.072 -6.780 -3.154 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.046 -6.896 -1.901 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.417 -5.617 -2.492 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.387 -5.735 -1.235 1.00 0.00 C ATOM 864 CZ PHE A 55 1.575 -5.095 -1.530 1.00 0.00 C ATOM 0 H PHE A 55 0.136 -10.923 -4.598 1.00 0.00 H new ATOM 0 HA PHE A 55 2.472 -9.574 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.451 -8.487 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.493 -8.999 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.736 -7.185 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.884 -7.392 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.345 -5.117 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.274 -5.328 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.845 -4.188 -1.009 1.00 0.00 H new ATOM 874 N ILE A 56 0.564 -11.039 -1.430 1.00 0.00 N ATOM 875 CA ILE A 56 0.489 -11.453 -0.031 1.00 0.00 C ATOM 876 C ILE A 56 0.292 -12.966 0.091 1.00 0.00 C ATOM 877 O ILE A 56 -0.599 -13.538 -0.540 1.00 0.00 O ATOM 878 CB ILE A 56 -0.665 -10.732 0.702 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.579 -9.219 0.476 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.640 -11.054 2.189 1.00 0.00 C ATOM 881 CD1 ILE A 56 -1.655 -8.436 1.196 1.00 0.00 C ATOM 0 H ILE A 56 -0.173 -11.425 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 56 1.436 -11.179 0.433 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.610 -11.089 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.398 -8.866 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.647 -9.015 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.460 -10.537 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.750 -12.129 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.308 -10.727 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.531 -7.373 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.636 -8.761 0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.575 -8.609 2.269 1.00 0.00 H new ATOM 893 N GLU A 57 1.128 -13.604 0.912 1.00 0.00 N ATOM 894 CA GLU A 57 1.053 -15.048 1.129 1.00 0.00 C ATOM 895 C GLU A 57 0.647 -15.359 2.568 1.00 0.00 C ATOM 896 O GLU A 57 1.311 -14.928 3.514 1.00 0.00 O ATOM 897 CB GLU A 57 2.401 -15.702 0.813 1.00 0.00 C ATOM 898 CG GLU A 57 2.287 -17.152 0.364 1.00 0.00 C ATOM 899 CD GLU A 57 3.346 -18.046 0.984 1.00 0.00 C ATOM 900 OE1 GLU A 57 3.420 -18.108 2.230 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.101 -18.686 0.222 1.00 0.00 O ATOM 0 H GLU A 57 1.868 -13.140 1.439 1.00 0.00 H new ATOM 0 HA GLU A 57 0.295 -15.454 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.900 -15.127 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.035 -15.654 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.299 -17.532 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.369 -17.199 -0.722 1.00 0.00 H new ATOM 908 N ASP A 58 -0.450 -16.105 2.724 1.00 0.00 N ATOM 909 CA ASP A 58 -0.964 -16.478 4.045 1.00 0.00 C ATOM 910 C ASP A 58 -1.203 -15.239 4.908 1.00 0.00 C ATOM 911 O ASP A 58 -0.715 -15.151 6.038 1.00 0.00 O ATOM 912 CB ASP A 58 -0.002 -17.444 4.754 1.00 0.00 C ATOM 913 CG ASP A 58 0.158 -18.763 4.016 1.00 0.00 C ATOM 914 OD1 ASP A 58 -0.826 -19.229 3.400 1.00 0.00 O ATOM 915 OD2 ASP A 58 1.268 -19.330 4.055 1.00 0.00 O ATOM 0 H ASP A 58 -1.003 -16.465 1.946 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.918 -16.985 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.974 -16.969 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.368 -17.639 5.762 1.00 0.00 H new ATOM 920 N ASP A 59 -1.959 -14.282 4.363 1.00 0.00 N ATOM 921 CA ASP A 59 -2.275 -13.038 5.071 1.00 0.00 C ATOM 922 C ASP A 59 -1.004 -12.290 5.501 1.00 0.00 C ATOM 923 O ASP A 59 -1.020 -11.533 6.474 1.00 0.00 O ATOM 924 CB ASP A 59 -3.150 -13.337 6.293 1.00 0.00 C ATOM 925 CG ASP A 59 -4.599 -13.602 5.925 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.854 -14.553 5.154 1.00 0.00 O ATOM 927 OD2 ASP A 59 -5.480 -12.862 6.409 1.00 0.00 O ATOM 0 H ASP A 59 -2.365 -14.345 3.430 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.822 -12.393 4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.749 -14.203 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.103 -12.495 6.983 1.00 0.00 H new ATOM 932 N SER A 60 0.092 -12.501 4.769 1.00 0.00 N ATOM 933 CA SER A 60 1.358 -11.845 5.076 1.00 0.00 C ATOM 934 C SER A 60 2.037 -11.360 3.798 1.00 0.00 C ATOM 935 O SER A 60 2.247 -12.137 2.864 1.00 0.00 O ATOM 936 CB SER A 60 2.280 -12.799 5.839 1.00 0.00 C ATOM 937 OG SER A 60 2.919 -12.136 6.918 1.00 0.00 O ATOM 0 H SER A 60 0.125 -13.122 3.960 1.00 0.00 H new ATOM 0 HA SER A 60 1.152 -10.979 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.703 -13.643 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.031 -13.204 5.161 1.00 0.00 H new ATOM 0 HG SER A 60 3.501 -12.767 7.391 1.00 0.00 H new ATOM 943 N ILE A 61 2.368 -10.069 3.760 1.00 0.00 N ATOM 944 CA ILE A 61 3.015 -9.471 2.591 1.00 0.00 C ATOM 945 C ILE A 61 4.316 -10.192 2.241 1.00 0.00 C ATOM 946 O ILE A 61 4.979 -10.760 3.112 1.00 0.00 O ATOM 947 CB ILE A 61 3.311 -7.968 2.806 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.052 -7.230 3.266 1.00 0.00 C ATOM 949 CG2 ILE A 61 3.845 -7.342 1.525 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.187 -6.592 4.632 1.00 0.00 C ATOM 0 H ILE A 61 2.199 -9.417 4.526 1.00 0.00 H new ATOM 0 HA ILE A 61 2.313 -9.578 1.764 1.00 0.00 H new ATOM 0 HB ILE A 61 4.070 -7.879 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.807 -6.458 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.217 -7.930 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.048 -6.284 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.766 -7.846 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.104 -7.447 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.256 -6.087 4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.401 -7.362 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.001 -5.867 4.616 1.00 0.00 H new ATOM 962 N ARG A 62 4.672 -10.161 0.958 1.00 0.00 N ATOM 963 CA ARG A 62 5.892 -10.808 0.479 1.00 0.00 C ATOM 964 C ARG A 62 7.094 -9.870 0.596 1.00 0.00 C ATOM 965 O ARG A 62 6.972 -8.662 0.385 1.00 0.00 O ATOM 966 CB ARG A 62 5.723 -11.256 -0.976 1.00 0.00 C ATOM 967 CG ARG A 62 5.735 -12.766 -1.156 1.00 0.00 C ATOM 968 CD ARG A 62 6.071 -13.159 -2.589 1.00 0.00 C ATOM 969 NE ARG A 62 7.157 -14.138 -2.649 1.00 0.00 N ATOM 970 CZ ARG A 62 8.450 -13.831 -2.499 1.00 0.00 C ATOM 971 NH1 ARG A 62 8.825 -12.575 -2.267 1.00 0.00 N ATOM 972 NH2 ARG A 62 9.371 -14.786 -2.577 1.00 0.00 N ATOM 0 H ARG A 62 4.132 -9.694 0.230 1.00 0.00 H new ATOM 0 HA ARG A 62 6.074 -11.682 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.783 -10.860 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.522 -10.821 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.464 -13.208 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.760 -13.173 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.184 -13.572 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.353 -12.269 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 62 6.913 -15.114 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.124 -11.837 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.814 -12.351 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.091 -15.751 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.358 -14.554 -2.463 1.00 0.00 H new ATOM 986 N PRO A 63 8.279 -10.419 0.932 1.00 0.00 N ATOM 987 CA PRO A 63 9.507 -9.628 1.071 1.00 0.00 C ATOM 988 C PRO A 63 10.040 -9.148 -0.277 1.00 0.00 C ATOM 989 O PRO A 63 10.288 -9.953 -1.179 1.00 0.00 O ATOM 990 CB PRO A 63 10.491 -10.604 1.718 1.00 0.00 C ATOM 991 CG PRO A 63 10.010 -11.955 1.314 1.00 0.00 C ATOM 992 CD PRO A 63 8.513 -11.853 1.200 1.00 0.00 C ATOM 0 HA PRO A 63 9.344 -8.721 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.509 -10.427 1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.500 -10.496 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.453 -12.258 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.294 -12.706 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.129 -12.479 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.019 -12.175 2.117 1.00 0.00 H new ATOM 1000 N GLY A 64 10.210 -7.834 -0.410 1.00 0.00 N ATOM 1001 CA GLY A 64 10.710 -7.267 -1.652 1.00 0.00 C ATOM 1002 C GLY A 64 10.131 -5.894 -1.942 1.00 0.00 C ATOM 1003 O GLY A 64 10.829 -5.016 -2.454 1.00 0.00 O ATOM 0 H GLY A 64 10.010 -7.151 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.797 -7.196 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.471 -7.939 -2.476 1.00 0.00 H new ATOM 1007 N ILE A 65 8.851 -5.707 -1.614 1.00 0.00 N ATOM 1008 CA ILE A 65 8.180 -4.431 -1.841 1.00 0.00 C ATOM 1009 C ILE A 65 8.700 -3.363 -0.881 1.00 0.00 C ATOM 1010 O ILE A 65 8.773 -3.580 0.330 1.00 0.00 O ATOM 1011 CB ILE A 65 6.646 -4.551 -1.687 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.117 -5.750 -2.485 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.963 -3.265 -2.138 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.432 -6.794 -1.630 1.00 0.00 C ATOM 0 H ILE A 65 8.261 -6.424 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 65 8.403 -4.138 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 65 6.417 -4.712 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.415 -5.393 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.946 -6.216 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.884 -3.367 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.316 -2.433 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.200 -3.075 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.084 -7.611 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.136 -7.180 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.581 -6.344 -1.118 1.00 0.00 H new ATOM 1026 N ILE A 66 9.063 -2.211 -1.440 1.00 0.00 N ATOM 1027 CA ILE A 66 9.584 -1.095 -0.659 1.00 0.00 C ATOM 1028 C ILE A 66 8.582 0.062 -0.621 1.00 0.00 C ATOM 1029 O ILE A 66 7.775 0.225 -1.538 1.00 0.00 O ATOM 1030 CB ILE A 66 10.924 -0.602 -1.248 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.957 -1.736 -1.248 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.450 0.598 -0.473 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.329 -2.226 0.137 1.00 0.00 C ATOM 0 H ILE A 66 9.004 -2.027 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 66 9.748 -1.448 0.359 1.00 0.00 H new ATOM 0 HB ILE A 66 10.749 -0.290 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.564 -2.573 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.858 -1.393 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.394 0.926 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.725 1.410 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.608 0.318 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.063 -3.027 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.753 -1.403 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.439 -2.601 0.642 1.00 0.00 H new ATOM 1045 N THR A 67 8.637 0.866 0.443 1.00 0.00 N ATOM 1046 CA THR A 67 7.734 2.005 0.595 1.00 0.00 C ATOM 1047 C THR A 67 8.423 3.167 1.313 1.00 0.00 C ATOM 1048 O THR A 67 9.211 2.957 2.237 1.00 0.00 O ATOM 1049 CB THR A 67 6.469 1.588 1.358 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.592 2.691 1.532 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.752 1.005 2.727 1.00 0.00 C ATOM 0 H THR A 67 9.298 0.748 1.211 1.00 0.00 H new ATOM 0 HA THR A 67 7.452 2.342 -0.402 1.00 0.00 H new ATOM 0 HB THR A 67 6.011 0.815 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.515 3.184 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.812 0.733 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.376 0.118 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.271 1.744 3.337 1.00 0.00 H new ATOM 1059 N LEU A 68 8.116 4.391 0.882 1.00 0.00 N ATOM 1060 CA LEU A 68 8.699 5.589 1.479 1.00 0.00 C ATOM 1061 C LEU A 68 7.623 6.621 1.812 1.00 0.00 C ATOM 1062 O LEU A 68 7.055 7.252 0.917 1.00 0.00 O ATOM 1063 CB LEU A 68 9.733 6.201 0.531 1.00 0.00 C ATOM 1064 CG LEU A 68 11.082 5.478 0.482 1.00 0.00 C ATOM 1065 CD1 LEU A 68 12.028 6.185 -0.478 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.693 5.392 1.874 1.00 0.00 C ATOM 0 H LEU A 68 7.465 4.577 0.119 1.00 0.00 H new ATOM 0 HA LEU A 68 9.190 5.297 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.313 6.221 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.904 7.236 0.826 1.00 0.00 H new ATOM 0 HG LEU A 68 10.918 4.464 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.982 5.659 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.593 6.193 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.187 7.210 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.651 4.875 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.845 6.397 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.021 4.842 2.533 1.00 0.00 H new ATOM 1078 N ILE A 69 7.353 6.790 3.106 1.00 0.00 N ATOM 1079 CA ILE A 69 6.353 7.749 3.570 1.00 0.00 C ATOM 1080 C ILE A 69 6.987 9.123 3.775 1.00 0.00 C ATOM 1081 O ILE A 69 7.777 9.317 4.701 1.00 0.00 O ATOM 1082 CB ILE A 69 5.695 7.289 4.890 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.242 5.829 4.780 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.520 8.189 5.250 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.776 5.233 6.091 1.00 0.00 C ATOM 0 H ILE A 69 7.815 6.273 3.854 1.00 0.00 H new ATOM 0 HA ILE A 69 5.582 7.811 2.802 1.00 0.00 H new ATOM 0 HB ILE A 69 6.435 7.363 5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.432 5.764 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.067 5.231 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.072 7.847 6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.870 9.214 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.776 8.151 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.472 4.198 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.590 5.265 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.930 5.806 6.471 1.00 0.00 H new ATOM 1097 N ASN A 70 6.643 10.069 2.897 1.00 0.00 N ATOM 1098 CA ASN A 70 7.180 11.432 2.965 1.00 0.00 C ATOM 1099 C ASN A 70 8.706 11.424 2.870 1.00 0.00 C ATOM 1100 O ASN A 70 9.387 12.134 3.613 1.00 0.00 O ATOM 1101 CB ASN A 70 6.735 12.124 4.260 1.00 0.00 C ATOM 1102 CG ASN A 70 5.232 12.318 4.333 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.579 11.836 5.257 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.674 13.023 3.356 1.00 0.00 N ATOM 0 H ASN A 70 5.992 9.915 2.127 1.00 0.00 H new ATOM 0 HA ASN A 70 6.785 11.990 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.063 11.532 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.227 13.094 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.667 13.182 3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.253 13.405 2.608 1.00 0.00 H new ATOM 1111 N ASP A 71 9.237 10.613 1.951 1.00 0.00 N ATOM 1112 CA ASP A 71 10.683 10.501 1.759 1.00 0.00 C ATOM 1113 C ASP A 71 11.368 9.982 3.029 1.00 0.00 C ATOM 1114 O ASP A 71 12.522 10.317 3.306 1.00 0.00 O ATOM 1115 CB ASP A 71 11.273 11.857 1.354 1.00 0.00 C ATOM 1116 CG ASP A 71 12.141 11.761 0.114 1.00 0.00 C ATOM 1117 OD1 ASP A 71 13.214 11.126 0.188 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.744 12.316 -0.931 1.00 0.00 O ATOM 0 H ASP A 71 8.685 10.024 1.328 1.00 0.00 H new ATOM 0 HA ASP A 71 10.864 9.784 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.463 12.564 1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.865 12.254 2.179 1.00 0.00 H new ATOM 1123 N THR A 72 10.649 9.160 3.795 1.00 0.00 N ATOM 1124 CA THR A 72 11.182 8.596 5.029 1.00 0.00 C ATOM 1125 C THR A 72 10.978 7.084 5.060 1.00 0.00 C ATOM 1126 O THR A 72 10.184 6.540 4.288 1.00 0.00 O ATOM 1127 CB THR A 72 10.512 9.242 6.249 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.159 10.589 5.983 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.384 9.238 7.486 1.00 0.00 C ATOM 0 H THR A 72 9.695 8.872 3.579 1.00 0.00 H new ATOM 0 HA THR A 72 12.251 8.805 5.065 1.00 0.00 H new ATOM 0 HB THR A 72 9.628 8.633 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.307 10.614 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.849 9.710 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.631 8.211 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.302 9.791 7.286 1.00 0.00 H new ATOM 1137 N ASP A 73 11.698 6.410 5.956 1.00 0.00 N ATOM 1138 CA ASP A 73 11.596 4.961 6.086 1.00 0.00 C ATOM 1139 C ASP A 73 10.361 4.569 6.895 1.00 0.00 C ATOM 1140 O ASP A 73 10.242 4.911 8.073 1.00 0.00 O ATOM 1141 CB ASP A 73 12.858 4.391 6.739 1.00 0.00 C ATOM 1142 CG ASP A 73 12.794 2.885 6.914 1.00 0.00 C ATOM 1143 OD1 ASP A 73 12.404 2.186 5.952 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.130 2.405 8.015 1.00 0.00 O ATOM 0 H ASP A 73 12.357 6.846 6.601 1.00 0.00 H new ATOM 0 HA ASP A 73 11.497 4.540 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.725 4.646 6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 73 13.003 4.860 7.712 1.00 0.00 H new ATOM 1149 N TRP A 74 9.445 3.850 6.245 1.00 0.00 N ATOM 1150 CA TRP A 74 8.204 3.398 6.880 1.00 0.00 C ATOM 1151 C TRP A 74 8.468 2.698 8.217 1.00 0.00 C ATOM 1152 O TRP A 74 7.710 2.871 9.172 1.00 0.00 O ATOM 1153 CB TRP A 74 7.440 2.455 5.942 1.00 0.00 C ATOM 1154 CG TRP A 74 8.151 1.158 5.675 1.00 0.00 C ATOM 1155 CD1 TRP A 74 9.387 0.996 5.115 1.00 0.00 C ATOM 1156 CD2 TRP A 74 7.665 -0.158 5.958 1.00 0.00 C ATOM 1157 NE1 TRP A 74 9.699 -0.338 5.038 1.00 0.00 N ATOM 1158 CE2 TRP A 74 8.657 -1.068 5.546 1.00 0.00 C ATOM 1159 CE3 TRP A 74 6.487 -0.655 6.519 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 8.506 -2.446 5.681 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 6.338 -2.022 6.651 1.00 0.00 C ATOM 1162 CH2 TRP A 74 7.342 -2.904 6.233 1.00 0.00 C ATOM 0 H TRP A 74 9.540 3.566 5.270 1.00 0.00 H new ATOM 0 HA TRP A 74 7.600 4.283 7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.463 2.241 6.375 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.264 2.964 4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.025 1.801 4.782 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.566 -0.723 4.663 1.00 0.00 H new ATOM 0 HE3 TRP A 74 5.706 0.017 6.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 9.280 -3.128 5.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 5.431 -2.417 7.084 1.00 0.00 H new ATOM 0 HH2 TRP A 74 7.194 -3.967 6.349 1.00 0.00 H new ATOM 1173 N GLU A 75 9.544 1.909 8.278 1.00 0.00 N ATOM 1174 CA GLU A 75 9.900 1.187 9.499 1.00 0.00 C ATOM 1175 C GLU A 75 10.245 2.159 10.623 1.00 0.00 C ATOM 1176 O GLU A 75 9.812 1.981 11.762 1.00 0.00 O ATOM 1177 CB GLU A 75 11.080 0.246 9.245 1.00 0.00 C ATOM 1178 CG GLU A 75 10.665 -1.146 8.783 1.00 0.00 C ATOM 1179 CD GLU A 75 11.817 -1.956 8.209 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.767 -1.352 7.664 1.00 0.00 O ATOM 1181 OE2 GLU A 75 11.766 -3.201 8.301 1.00 0.00 O ATOM 0 H GLU A 75 10.182 1.755 7.497 1.00 0.00 H new ATOM 0 HA GLU A 75 9.036 0.595 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.732 0.690 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.665 0.156 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.233 -1.687 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.883 -1.053 8.029 1.00 0.00 H new ATOM 1188 N LEU A 76 11.022 3.191 10.294 1.00 0.00 N ATOM 1189 CA LEU A 76 11.417 4.198 11.275 1.00 0.00 C ATOM 1190 C LEU A 76 10.195 4.899 11.875 1.00 0.00 C ATOM 1191 O LEU A 76 10.251 5.393 13.002 1.00 0.00 O ATOM 1192 CB LEU A 76 12.346 5.233 10.633 1.00 0.00 C ATOM 1193 CG LEU A 76 13.812 5.156 11.072 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.703 5.891 10.082 1.00 0.00 C ATOM 1195 CD2 LEU A 76 13.983 5.727 12.474 1.00 0.00 C ATOM 0 H LEU A 76 11.389 3.350 9.356 1.00 0.00 H new ATOM 0 HA LEU A 76 11.948 3.688 12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.301 5.116 9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.967 6.229 10.862 1.00 0.00 H new ATOM 0 HG LEU A 76 14.111 4.108 11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.741 5.826 10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.604 5.436 9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.403 6.938 10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.031 5.663 12.768 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.666 6.770 12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.374 5.157 13.176 1.00 0.00 H new ATOM 1207 N GLU A 77 9.091 4.936 11.123 1.00 0.00 N ATOM 1208 CA GLU A 77 7.865 5.575 11.594 1.00 0.00 C ATOM 1209 C GLU A 77 6.768 4.539 11.862 1.00 0.00 C ATOM 1210 O GLU A 77 5.578 4.832 11.724 1.00 0.00 O ATOM 1211 CB GLU A 77 7.378 6.603 10.569 1.00 0.00 C ATOM 1212 CG GLU A 77 7.968 7.990 10.770 1.00 0.00 C ATOM 1213 CD GLU A 77 7.573 8.960 9.673 1.00 0.00 C ATOM 1214 OE1 GLU A 77 8.087 8.822 8.542 1.00 0.00 O ATOM 1215 OE2 GLU A 77 6.751 9.860 9.946 1.00 0.00 O ATOM 0 H GLU A 77 9.024 4.532 10.189 1.00 0.00 H new ATOM 0 HA GLU A 77 8.088 6.083 12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.629 6.252 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.291 6.669 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.640 8.383 11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.055 7.916 10.809 1.00 0.00 H new ATOM 1222 N GLY A 78 7.174 3.329 12.251 1.00 0.00 N ATOM 1223 CA GLY A 78 6.216 2.273 12.533 1.00 0.00 C ATOM 1224 C GLY A 78 5.757 1.555 11.277 1.00 0.00 C ATOM 1225 O GLY A 78 4.845 2.021 10.593 1.00 0.00 O ATOM 0 H GLY A 78 8.151 3.063 12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.665 1.552 13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.351 2.698 13.042 1.00 0.00 H new ATOM 1229 N GLU A 79 6.394 0.418 10.975 1.00 0.00 N ATOM 1230 CA GLU A 79 6.052 -0.376 9.789 1.00 0.00 C ATOM 1231 C GLU A 79 4.537 -0.500 9.618 1.00 0.00 C ATOM 1232 O GLU A 79 4.001 -0.195 8.554 1.00 0.00 O ATOM 1233 CB GLU A 79 6.685 -1.774 9.858 1.00 0.00 C ATOM 1234 CG GLU A 79 6.636 -2.418 11.238 1.00 0.00 C ATOM 1235 CD GLU A 79 5.815 -3.694 11.262 1.00 0.00 C ATOM 1236 OE1 GLU A 79 6.258 -4.698 10.671 1.00 0.00 O ATOM 1237 OE2 GLU A 79 4.729 -3.689 11.875 1.00 0.00 O ATOM 0 H GLU A 79 7.150 0.026 11.536 1.00 0.00 H new ATOM 0 HA GLU A 79 6.455 0.150 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.176 -2.426 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.725 -1.705 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.651 -2.638 11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.217 -1.708 11.951 1.00 0.00 H new ATOM 1244 N LYS A 80 3.855 -0.941 10.675 1.00 0.00 N ATOM 1245 CA LYS A 80 2.404 -1.092 10.645 1.00 0.00 C ATOM 1246 C LYS A 80 1.735 -0.092 11.589 1.00 0.00 C ATOM 1247 O LYS A 80 0.663 0.434 11.284 1.00 0.00 O ATOM 1248 CB LYS A 80 2.007 -2.520 11.025 1.00 0.00 C ATOM 1249 CG LYS A 80 0.502 -2.735 11.077 1.00 0.00 C ATOM 1250 CD LYS A 80 0.135 -3.994 11.846 1.00 0.00 C ATOM 1251 CE LYS A 80 0.127 -3.749 13.347 1.00 0.00 C ATOM 1252 NZ LYS A 80 0.811 -4.839 14.098 1.00 0.00 N ATOM 0 H LYS A 80 4.286 -1.200 11.562 1.00 0.00 H new ATOM 0 HA LYS A 80 2.063 -0.890 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.441 -3.214 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.435 -2.761 11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.028 -1.872 11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.110 -2.802 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.848 -4.342 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.846 -4.786 11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.617 -2.799 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.903 -3.662 13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.782 -4.630 15.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.329 -5.742 13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.801 -4.906 13.787 1.00 0.00 H new ATOM 1266 N ASP A 81 2.374 0.171 12.732 1.00 0.00 N ATOM 1267 CA ASP A 81 1.841 1.112 13.715 1.00 0.00 C ATOM 1268 C ASP A 81 2.132 2.559 13.303 1.00 0.00 C ATOM 1269 O ASP A 81 2.742 3.325 14.054 1.00 0.00 O ATOM 1270 CB ASP A 81 2.426 0.817 15.102 1.00 0.00 C ATOM 1271 CG ASP A 81 1.787 -0.396 15.752 1.00 0.00 C ATOM 1272 OD1 ASP A 81 0.550 -0.391 15.938 1.00 0.00 O ATOM 1273 OD2 ASP A 81 2.522 -1.354 16.070 1.00 0.00 O ATOM 0 H ASP A 81 3.261 -0.256 12.998 1.00 0.00 H new ATOM 0 HA ASP A 81 0.759 0.987 13.758 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.500 0.655 15.013 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.287 1.686 15.745 1.00 0.00 H new ATOM 1278 N TYR A 82 1.681 2.922 12.103 1.00 0.00 N ATOM 1279 CA TYR A 82 1.871 4.268 11.573 1.00 0.00 C ATOM 1280 C TYR A 82 0.517 4.920 11.318 1.00 0.00 C ATOM 1281 O TYR A 82 -0.250 4.461 10.466 1.00 0.00 O ATOM 1282 CB TYR A 82 2.692 4.220 10.277 1.00 0.00 C ATOM 1283 CG TYR A 82 2.635 5.497 9.461 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.496 6.555 9.723 1.00 0.00 C ATOM 1285 CD2 TYR A 82 1.720 5.638 8.424 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.442 7.720 8.981 1.00 0.00 C ATOM 1287 CE2 TYR A 82 1.660 6.798 7.678 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.524 7.835 7.957 1.00 0.00 C ATOM 1289 OH TYR A 82 2.469 8.993 7.214 1.00 0.00 O ATOM 0 H TYR A 82 1.177 2.295 11.476 1.00 0.00 H new ATOM 0 HA TYR A 82 2.417 4.862 12.305 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.732 4.006 10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.335 3.393 9.663 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.220 6.466 10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.045 4.826 8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.115 8.536 9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.939 6.893 6.879 1.00 0.00 H new ATOM 0 HH TYR A 82 1.770 8.911 6.532 1.00 0.00 H new ATOM 1299 N ILE A 83 0.226 5.984 12.061 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.040 6.694 11.916 1.00 0.00 C ATOM 1301 C ILE A 83 -1.143 7.346 10.538 1.00 0.00 C ATOM 1302 O ILE A 83 -0.321 8.191 10.180 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.218 7.774 13.010 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.985 7.176 14.404 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.606 8.394 12.921 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.326 7.596 15.034 1.00 0.00 C ATOM 0 H ILE A 83 0.849 6.373 12.769 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.834 5.955 12.027 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.477 8.556 12.846 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.804 7.473 15.059 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.012 6.089 14.333 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.716 9.152 13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.736 8.855 11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.360 7.619 13.061 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.421 7.135 16.017 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.153 7.275 14.401 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.349 8.681 15.138 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.158 6.943 9.770 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.371 7.483 8.432 1.00 0.00 C ATOM 1320 C LEU A 84 -2.727 8.970 8.495 1.00 0.00 C ATOM 1321 O LEU A 84 -2.864 9.541 9.580 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.473 6.698 7.710 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.068 5.305 7.205 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.203 4.675 6.409 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -1.801 5.381 6.361 1.00 0.00 C ATOM 0 H LEU A 84 -2.844 6.244 10.055 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.443 7.380 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.320 6.588 8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.818 7.287 6.861 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.862 4.676 8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.898 3.689 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.083 4.579 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.441 5.306 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.534 4.383 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.975 6.029 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.987 5.786 6.962 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.871 9.592 7.326 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.202 11.009 7.239 1.00 0.00 C ATOM 1339 C GLU A 85 -3.615 11.371 5.816 1.00 0.00 C ATOM 1340 O GLU A 85 -2.768 11.536 4.936 1.00 0.00 O ATOM 1341 CB GLU A 85 -2.006 11.868 7.666 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.182 12.539 9.020 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.863 12.989 9.621 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.117 12.215 9.558 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.807 14.118 10.152 1.00 0.00 O ATOM 0 H GLU A 85 -2.762 9.132 6.422 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.036 11.207 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.114 11.243 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.834 12.635 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.841 13.400 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.672 11.846 9.704 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.922 11.483 5.600 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.466 11.823 4.281 1.00 0.00 C ATOM 1354 C ASP A 86 -4.699 12.988 3.657 1.00 0.00 C ATOM 1355 O ASP A 86 -4.600 14.066 4.248 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.954 12.180 4.382 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.236 13.215 5.455 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.346 12.830 6.637 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.347 14.409 5.112 1.00 0.00 O ATOM 0 H ASP A 86 -5.630 11.344 6.321 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.354 10.947 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.299 12.557 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.527 11.277 4.594 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.142 12.753 2.470 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.373 13.779 1.787 1.00 0.00 C ATOM 1366 C GLY A 87 -1.877 13.601 1.983 1.00 0.00 C ATOM 1367 O GLY A 87 -1.115 14.566 1.899 1.00 0.00 O ATOM 0 H GLY A 87 -4.211 11.867 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.604 13.755 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.672 14.760 2.156 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.461 12.361 2.249 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.053 12.050 2.465 1.00 0.00 C ATOM 1373 C ASP A 88 0.572 11.430 1.216 1.00 0.00 C ATOM 1374 O ASP A 88 -0.133 11.069 0.270 1.00 0.00 O ATOM 1375 CB ASP A 88 0.095 11.093 3.651 1.00 0.00 C ATOM 1376 CG ASP A 88 1.443 11.218 4.335 1.00 0.00 C ATOM 1377 OD1 ASP A 88 1.572 12.073 5.237 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.370 10.467 3.963 1.00 0.00 O ATOM 0 H ASP A 88 -2.084 11.556 2.319 1.00 0.00 H new ATOM 0 HA ASP A 88 0.471 12.981 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.696 11.292 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.040 10.068 3.305 1.00 0.00 H new ATOM 1383 N ILE A 89 1.900 11.305 1.222 1.00 0.00 N ATOM 1384 CA ILE A 89 2.624 10.723 0.096 1.00 0.00 C ATOM 1385 C ILE A 89 3.282 9.400 0.489 1.00 0.00 C ATOM 1386 O ILE A 89 4.299 9.386 1.187 1.00 0.00 O ATOM 1387 CB ILE A 89 3.710 11.681 -0.440 1.00 0.00 C ATOM 1388 CG1 ILE A 89 3.131 13.081 -0.675 1.00 0.00 C ATOM 1389 CG2 ILE A 89 4.318 11.132 -1.725 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.040 13.124 -1.723 1.00 0.00 C ATOM 0 H ILE A 89 2.495 11.600 1.996 1.00 0.00 H new ATOM 0 HA ILE A 89 1.889 10.546 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 89 4.497 11.759 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.733 13.462 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.937 13.751 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.081 11.820 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.770 10.160 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.538 11.023 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.681 14.147 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.437 12.775 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.215 12.481 -1.416 1.00 0.00 H new ATOM 1402 N ILE A 90 2.695 8.292 0.036 1.00 0.00 N ATOM 1403 CA ILE A 90 3.220 6.962 0.337 1.00 0.00 C ATOM 1404 C ILE A 90 3.616 6.223 -0.945 1.00 0.00 C ATOM 1405 O ILE A 90 2.765 5.673 -1.644 1.00 0.00 O ATOM 1406 CB ILE A 90 2.186 6.121 1.121 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.831 6.811 2.441 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.710 4.712 1.378 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.794 6.068 3.255 1.00 0.00 C ATOM 0 H ILE A 90 1.854 8.290 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 90 4.108 7.096 0.955 1.00 0.00 H new ATOM 0 HB ILE A 90 1.283 6.039 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.736 6.923 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.463 7.815 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.964 4.141 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.912 4.220 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.630 4.766 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.593 6.616 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.126 5.979 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.167 5.073 3.499 1.00 0.00 H new ATOM 1421 N SER A 91 4.914 6.216 -1.247 1.00 0.00 N ATOM 1422 CA SER A 91 5.420 5.546 -2.446 1.00 0.00 C ATOM 1423 C SER A 91 5.547 4.040 -2.222 1.00 0.00 C ATOM 1424 O SER A 91 5.818 3.592 -1.108 1.00 0.00 O ATOM 1425 CB SER A 91 6.777 6.126 -2.854 1.00 0.00 C ATOM 1426 OG SER A 91 6.972 7.421 -2.309 1.00 0.00 O ATOM 0 H SER A 91 5.633 6.665 -0.680 1.00 0.00 H new ATOM 0 HA SER A 91 4.703 5.717 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.574 5.464 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.842 6.174 -3.941 1.00 0.00 H new ATOM 0 HG SER A 91 7.847 7.764 -2.586 1.00 0.00 H new ATOM 1432 N PHE A 92 5.346 3.267 -3.289 1.00 0.00 N ATOM 1433 CA PHE A 92 5.433 1.812 -3.212 1.00 0.00 C ATOM 1434 C PHE A 92 6.240 1.246 -4.379 1.00 0.00 C ATOM 1435 O PHE A 92 5.741 1.149 -5.499 1.00 0.00 O ATOM 1436 CB PHE A 92 4.031 1.198 -3.204 1.00 0.00 C ATOM 1437 CG PHE A 92 3.542 0.830 -1.832 1.00 0.00 C ATOM 1438 CD1 PHE A 92 4.263 -0.049 -1.038 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.362 1.361 -1.338 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.815 -0.389 0.224 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.910 1.024 -0.077 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.637 0.147 0.705 1.00 0.00 C ATOM 0 H PHE A 92 5.122 3.626 -4.217 1.00 0.00 H new ATOM 0 HA PHE A 92 5.944 1.555 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.332 1.904 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.030 0.307 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.184 -0.472 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.789 2.046 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.386 -1.074 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.989 1.446 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.284 -0.119 1.691 1.00 0.00 H new ATOM 1452 N THR A 93 7.487 0.866 -4.105 1.00 0.00 N ATOM 1453 CA THR A 93 8.366 0.300 -5.126 1.00 0.00 C ATOM 1454 C THR A 93 8.460 -1.219 -4.973 1.00 0.00 C ATOM 1455 O THR A 93 8.178 -1.761 -3.904 1.00 0.00 O ATOM 1456 CB THR A 93 9.768 0.922 -5.034 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.706 2.244 -4.525 1.00 0.00 O ATOM 1458 CG2 THR A 93 10.491 0.979 -6.363 1.00 0.00 C ATOM 0 H THR A 93 7.912 0.940 -3.181 1.00 0.00 H new ATOM 0 HA THR A 93 7.942 0.529 -6.104 1.00 0.00 H new ATOM 0 HB THR A 93 10.323 0.267 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.611 2.618 -4.474 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.474 1.429 -6.224 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.607 -0.030 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.913 1.579 -7.066 1.00 0.00 H new ATOM 1466 N SER A 94 8.861 -1.899 -6.045 1.00 0.00 N ATOM 1467 CA SER A 94 8.995 -3.353 -6.026 1.00 0.00 C ATOM 1468 C SER A 94 10.210 -3.795 -6.835 1.00 0.00 C ATOM 1469 O SER A 94 10.221 -3.688 -8.064 1.00 0.00 O ATOM 1470 CB SER A 94 7.731 -4.016 -6.579 1.00 0.00 C ATOM 1471 OG SER A 94 7.525 -5.293 -5.997 1.00 0.00 O ATOM 0 H SER A 94 9.099 -1.466 -6.937 1.00 0.00 H new ATOM 0 HA SER A 94 9.133 -3.665 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.868 -3.380 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.813 -4.116 -7.661 1.00 0.00 H new ATOM 0 HG SER A 94 6.710 -5.693 -6.366 1.00 0.00 H new ATOM 1477 N THR A 95 11.231 -4.294 -6.141 1.00 0.00 N ATOM 1478 CA THR A 95 12.452 -4.757 -6.796 1.00 0.00 C ATOM 1479 C THR A 95 12.355 -6.250 -7.137 1.00 0.00 C ATOM 1480 O THR A 95 13.233 -7.042 -6.788 1.00 0.00 O ATOM 1481 CB THR A 95 13.673 -4.468 -5.903 1.00 0.00 C ATOM 1482 OG1 THR A 95 14.875 -4.877 -6.537 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.611 -5.143 -4.546 1.00 0.00 C ATOM 0 H THR A 95 11.237 -4.388 -5.125 1.00 0.00 H new ATOM 0 HA THR A 95 12.575 -4.213 -7.732 1.00 0.00 H new ATOM 0 HB THR A 95 13.657 -3.389 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.814 -5.826 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.505 -4.893 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.728 -4.798 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.556 -6.223 -4.679 1.00 0.00 H new