USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 852 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 98 LYS NZ :NH3+ 160:sc= -0.0124 (180deg=-0.172) USER MOD Set 1.2: A 102 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 77 GLN : amide:sc= 0.287 K(o=-0.61,f=-1.8) USER MOD Set 2.2: A 79 HIS : no HD1:sc= -0.902 K(o=-0.61,f=-2.4) USER MOD Set 3.1: A 20 THR OG1 : rot -70:sc= -1.86 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.181) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= -0.0261 (180deg=-0.0261) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= 0.083 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.3) USER MOD Single : A 24 MET CE :methyl -138:sc= -6.16! (180deg=-11.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.89! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.155 USER MOD Single : A 42 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.095) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -140:sc= -0.199 (180deg=-0.905) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 130:sc= -0.998 USER MOD Single : A 54 THR OG1 : rot 40:sc= -3.16! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 32:sc= 0.576 USER MOD Single : A 59 CYS SG : rot -175:sc= -17.8! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -0.0186 (180deg=-1.19) USER MOD Single : A 72 THR OG1 : rot 7:sc= 0.185 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0669) USER MOD Single : A 76 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.5!) USER MOD Single : A 82 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.5!) USER MOD Single : A 97 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.7) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -7.926 8.967 4.281 1.00 0.00 N ATOM 72 CA ARG A 5 -7.501 7.618 3.814 1.00 0.00 C ATOM 73 C ARG A 5 -7.486 6.650 4.999 1.00 0.00 C ATOM 74 O ARG A 5 -7.528 7.055 6.144 1.00 0.00 O ATOM 75 CB ARG A 5 -6.100 7.706 3.206 1.00 0.00 C ATOM 76 CG ARG A 5 -6.129 8.636 1.992 1.00 0.00 C ATOM 77 CD ARG A 5 -5.506 9.982 2.366 1.00 0.00 C ATOM 78 NE ARG A 5 -6.468 11.078 2.054 1.00 0.00 N ATOM 79 CZ ARG A 5 -6.024 12.256 1.709 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.091 12.833 2.415 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.514 12.857 0.659 1.00 0.00 N ATOM 0 HA ARG A 5 -8.200 7.257 3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.393 8.079 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.757 6.714 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.581 8.187 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.156 8.779 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.253 9.996 3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.577 10.131 1.815 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.472 10.907 2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.709 12.364 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.744 13.753 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.244 12.406 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.167 13.778 0.390 1.00 0.00 H new ATOM 95 N ILE A 6 -7.430 5.374 4.733 1.00 0.00 N ATOM 96 CA ILE A 6 -7.416 4.382 5.844 1.00 0.00 C ATOM 97 C ILE A 6 -6.102 4.498 6.619 1.00 0.00 C ATOM 98 O ILE A 6 -6.091 4.575 7.832 1.00 0.00 O ATOM 99 CB ILE A 6 -7.544 2.972 5.267 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.971 2.763 4.751 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.240 1.943 6.357 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.176 1.290 4.395 1.00 0.00 C ATOM 0 H ILE A 6 -7.393 4.976 3.795 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.251 4.579 6.516 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.837 2.849 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.691 3.068 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.147 3.387 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.332 0.938 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.225 2.093 6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.946 2.064 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.192 1.142 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.465 1.000 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.018 0.676 5.282 1.00 0.00 H new ATOM 114 N ARG A 7 -4.992 4.511 5.932 1.00 0.00 N ATOM 115 CA ARG A 7 -3.683 4.621 6.635 1.00 0.00 C ATOM 116 C ARG A 7 -2.717 5.458 5.796 1.00 0.00 C ATOM 117 O ARG A 7 -2.276 5.044 4.743 1.00 0.00 O ATOM 118 CB ARG A 7 -3.101 3.223 6.844 1.00 0.00 C ATOM 119 CG ARG A 7 -3.118 2.885 8.335 1.00 0.00 C ATOM 120 CD ARG A 7 -1.684 2.829 8.859 1.00 0.00 C ATOM 121 NE ARG A 7 -1.699 2.508 10.314 1.00 0.00 N ATOM 122 CZ ARG A 7 -2.246 3.337 11.160 1.00 0.00 C ATOM 123 NH1 ARG A 7 -1.536 4.305 11.677 1.00 0.00 N ATOM 124 NH2 ARG A 7 -3.501 3.201 11.491 1.00 0.00 N ATOM 0 H ARG A 7 -4.936 4.450 4.915 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.829 5.103 7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.682 2.488 6.286 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.081 3.180 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.688 3.635 8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.614 1.928 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.116 2.074 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.187 3.784 8.692 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.281 1.640 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.555 4.412 11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.963 4.954 12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.056 2.446 11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.927 3.850 12.153 1.00 0.00 H new ATOM 138 N GLU A 8 -2.384 6.634 6.251 1.00 0.00 N ATOM 139 CA GLU A 8 -1.445 7.490 5.474 1.00 0.00 C ATOM 140 C GLU A 8 -0.203 7.780 6.315 1.00 0.00 C ATOM 141 O GLU A 8 -0.292 8.145 7.471 1.00 0.00 O ATOM 142 CB GLU A 8 -2.131 8.807 5.109 1.00 0.00 C ATOM 143 CG GLU A 8 -2.961 9.300 6.295 1.00 0.00 C ATOM 144 CD GLU A 8 -4.399 8.795 6.159 1.00 0.00 C ATOM 145 OE1 GLU A 8 -5.190 9.483 5.535 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.684 7.730 6.681 1.00 0.00 O ATOM 0 H GLU A 8 -2.721 7.038 7.125 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.154 6.969 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.385 9.554 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.771 8.666 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.526 8.944 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.949 10.389 6.333 1.00 0.00 H new ATOM 153 N GLY A 9 0.956 7.623 5.742 1.00 0.00 N ATOM 154 CA GLY A 9 2.208 7.888 6.495 1.00 0.00 C ATOM 155 C GLY A 9 3.353 8.063 5.502 1.00 0.00 C ATOM 156 O GLY A 9 3.170 8.574 4.416 1.00 0.00 O ATOM 0 H GLY A 9 1.089 7.320 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.098 8.784 7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.421 7.063 7.175 1.00 0.00 H new ATOM 160 N TYR A 10 4.530 7.646 5.861 1.00 0.00 N ATOM 161 CA TYR A 10 5.685 7.797 4.932 1.00 0.00 C ATOM 162 C TYR A 10 6.613 6.582 5.027 1.00 0.00 C ATOM 163 O TYR A 10 7.401 6.461 5.944 1.00 0.00 O ATOM 164 CB TYR A 10 6.469 9.057 5.302 1.00 0.00 C ATOM 165 CG TYR A 10 6.891 8.981 6.749 1.00 0.00 C ATOM 166 CD1 TYR A 10 5.958 9.222 7.766 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.218 8.671 7.075 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.352 9.152 9.110 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.612 8.601 8.419 1.00 0.00 C ATOM 170 CZ TYR A 10 7.678 8.841 9.436 1.00 0.00 C ATOM 171 OH TYR A 10 8.065 8.772 10.758 1.00 0.00 O ATOM 0 H TYR A 10 4.745 7.207 6.756 1.00 0.00 H new ATOM 0 HA TYR A 10 5.308 7.875 3.912 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.345 9.154 4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.854 9.942 5.137 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.935 9.462 7.515 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.937 8.486 6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.633 9.338 9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.635 8.362 8.670 1.00 0.00 H new ATOM 0 HH TYR A 10 9.017 8.544 10.809 1.00 0.00 H new ATOM 181 N LEU A 11 6.543 5.692 4.072 1.00 0.00 N ATOM 182 CA LEU A 11 7.443 4.500 4.094 1.00 0.00 C ATOM 183 C LEU A 11 8.281 4.499 2.814 1.00 0.00 C ATOM 184 O LEU A 11 7.937 5.136 1.839 1.00 0.00 O ATOM 185 CB LEU A 11 6.625 3.203 4.157 1.00 0.00 C ATOM 186 CG LEU A 11 5.492 3.323 5.180 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.972 4.067 6.427 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.329 4.079 4.542 1.00 0.00 C ATOM 0 H LEU A 11 5.903 5.738 3.279 1.00 0.00 H new ATOM 0 HA LEU A 11 8.082 4.552 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.211 2.981 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.276 2.370 4.424 1.00 0.00 H new ATOM 0 HG LEU A 11 5.169 2.326 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.154 4.143 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.801 3.522 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.304 5.067 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.516 4.170 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.662 5.073 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.978 3.534 3.666 1.00 0.00 H new ATOM 200 N VAL A 12 9.376 3.793 2.804 1.00 0.00 N ATOM 201 CA VAL A 12 10.225 3.764 1.577 1.00 0.00 C ATOM 202 C VAL A 12 9.714 2.678 0.627 1.00 0.00 C ATOM 203 O VAL A 12 9.145 1.689 1.044 1.00 0.00 O ATOM 204 CB VAL A 12 11.683 3.488 1.967 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.729 2.423 3.061 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.466 2.995 0.745 1.00 0.00 C ATOM 0 H VAL A 12 9.720 3.237 3.587 1.00 0.00 H new ATOM 0 HA VAL A 12 10.172 4.728 1.072 1.00 0.00 H new ATOM 0 HB VAL A 12 12.133 4.410 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.766 2.229 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.181 2.775 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.273 1.504 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.500 2.801 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.015 2.077 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.441 3.756 -0.035 1.00 0.00 H new ATOM 216 N LYS A 13 9.909 2.862 -0.651 1.00 0.00 N ATOM 217 CA LYS A 13 9.431 1.848 -1.630 1.00 0.00 C ATOM 218 C LYS A 13 10.464 1.675 -2.745 1.00 0.00 C ATOM 219 O LYS A 13 11.152 2.603 -3.122 1.00 0.00 O ATOM 220 CB LYS A 13 8.106 2.316 -2.237 1.00 0.00 C ATOM 221 CG LYS A 13 7.160 1.123 -2.389 1.00 0.00 C ATOM 222 CD LYS A 13 5.744 1.543 -1.991 1.00 0.00 C ATOM 223 CE LYS A 13 5.030 0.368 -1.320 1.00 0.00 C ATOM 224 NZ LYS A 13 3.617 0.314 -1.788 1.00 0.00 N ATOM 0 H LYS A 13 10.379 3.671 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 13 9.288 0.895 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.651 3.075 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.283 2.779 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.169 0.766 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.496 0.297 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.784 2.394 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.188 1.865 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.539 -0.566 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.062 0.480 -0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.131 -0.484 -1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.135 1.201 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.598 0.188 -2.820 1.00 0.00 H new ATOM 238 N LYS A 14 10.569 0.490 -3.279 1.00 0.00 N ATOM 239 CA LYS A 14 11.546 0.240 -4.377 1.00 0.00 C ATOM 240 C LYS A 14 10.764 -0.171 -5.635 1.00 0.00 C ATOM 241 O LYS A 14 9.878 -1.000 -5.570 1.00 0.00 O ATOM 242 CB LYS A 14 12.487 -0.899 -3.960 1.00 0.00 C ATOM 243 CG LYS A 14 13.174 -1.491 -5.190 1.00 0.00 C ATOM 244 CD LYS A 14 14.211 -2.518 -4.745 1.00 0.00 C ATOM 245 CE LYS A 14 14.922 -3.091 -5.967 1.00 0.00 C ATOM 246 NZ LYS A 14 14.284 -4.380 -6.357 1.00 0.00 N ATOM 0 H LYS A 14 10.017 -0.321 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 14 12.133 1.136 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.235 -0.525 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.924 -1.674 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.437 -1.961 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.653 -0.701 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.935 -2.052 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.728 -3.318 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.872 -2.384 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.978 -3.248 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.375 -4.516 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.754 -5.164 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.277 -4.361 -6.098 1.00 0.00 H new ATOM 260 N GLY A 15 11.072 0.387 -6.777 1.00 0.00 N ATOM 261 CA GLY A 15 10.322 -0.006 -8.009 1.00 0.00 C ATOM 262 C GLY A 15 10.635 0.956 -9.159 1.00 0.00 C ATOM 263 O GLY A 15 11.320 1.944 -8.988 1.00 0.00 O ATOM 0 H GLY A 15 11.800 1.089 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.589 -1.023 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.251 -0.003 -7.806 1.00 0.00 H new ATOM 267 N SER A 16 10.136 0.667 -10.336 1.00 0.00 N ATOM 268 CA SER A 16 10.401 1.556 -11.506 1.00 0.00 C ATOM 269 C SER A 16 11.910 1.665 -11.723 1.00 0.00 C ATOM 270 O SER A 16 12.683 1.001 -11.061 1.00 0.00 O ATOM 271 CB SER A 16 9.819 2.944 -11.236 1.00 0.00 C ATOM 272 OG SER A 16 8.529 3.037 -11.827 1.00 0.00 O ATOM 0 H SER A 16 9.556 -0.148 -10.536 1.00 0.00 H new ATOM 0 HA SER A 16 9.933 1.138 -12.397 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.753 3.121 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.475 3.712 -11.646 1.00 0.00 H new ATOM 0 HG SER A 16 8.153 3.925 -11.654 1.00 0.00 H new ATOM 278 N VAL A 17 12.341 2.500 -12.638 1.00 0.00 N ATOM 279 CA VAL A 17 13.809 2.645 -12.873 1.00 0.00 C ATOM 280 C VAL A 17 14.511 2.694 -11.532 1.00 0.00 C ATOM 281 O VAL A 17 15.554 2.103 -11.334 1.00 0.00 O ATOM 282 CB VAL A 17 14.105 3.962 -13.581 1.00 0.00 C ATOM 283 CG1 VAL A 17 13.510 5.109 -12.761 1.00 0.00 C ATOM 284 CG2 VAL A 17 15.624 4.148 -13.654 1.00 0.00 C ATOM 0 H VAL A 17 11.745 3.082 -13.226 1.00 0.00 H new ATOM 0 HA VAL A 17 14.150 1.806 -13.480 1.00 0.00 H new ATOM 0 HB VAL A 17 13.675 3.955 -14.583 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.716 6.057 -13.258 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.432 4.972 -12.673 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.958 5.116 -11.767 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.852 5.087 -14.159 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.037 4.168 -12.645 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.066 3.321 -14.210 1.00 0.00 H new ATOM 294 N PHE A 18 13.941 3.422 -10.617 1.00 0.00 N ATOM 295 CA PHE A 18 14.549 3.555 -9.279 1.00 0.00 C ATOM 296 C PHE A 18 15.119 2.216 -8.833 1.00 0.00 C ATOM 297 O PHE A 18 16.315 2.062 -8.691 1.00 0.00 O ATOM 298 CB PHE A 18 13.485 4.012 -8.277 1.00 0.00 C ATOM 299 CG PHE A 18 13.404 5.519 -8.274 1.00 0.00 C ATOM 300 CD1 PHE A 18 12.867 6.195 -9.378 1.00 0.00 C ATOM 301 CD2 PHE A 18 13.860 6.243 -7.164 1.00 0.00 C ATOM 302 CE1 PHE A 18 12.787 7.594 -9.373 1.00 0.00 C ATOM 303 CE2 PHE A 18 13.781 7.643 -7.160 1.00 0.00 C ATOM 304 CZ PHE A 18 13.243 8.318 -8.264 1.00 0.00 C ATOM 0 H PHE A 18 13.069 3.935 -10.746 1.00 0.00 H new ATOM 0 HA PHE A 18 15.352 4.291 -9.324 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.517 3.587 -8.541 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.732 3.649 -7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.515 5.637 -10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.272 5.723 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.374 8.114 -10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.135 8.201 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 18 13.180 9.396 -8.260 1.00 0.00 H new ATOM 314 N ASN A 19 14.287 1.250 -8.570 1.00 0.00 N ATOM 315 CA ASN A 19 14.832 -0.038 -8.082 1.00 0.00 C ATOM 316 C ASN A 19 15.691 0.292 -6.863 1.00 0.00 C ATOM 317 O ASN A 19 16.574 -0.449 -6.478 1.00 0.00 O ATOM 318 CB ASN A 19 15.690 -0.693 -9.167 1.00 0.00 C ATOM 319 CG ASN A 19 14.955 -1.908 -9.734 1.00 0.00 C ATOM 320 OD1 ASN A 19 13.762 -1.860 -9.961 1.00 0.00 O ATOM 321 ND2 ASN A 19 15.619 -3.005 -9.973 1.00 0.00 N ATOM 0 H ASN A 19 13.273 1.296 -8.670 1.00 0.00 H new ATOM 0 HA ASN A 19 14.033 -0.734 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.899 0.023 -9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.651 -0.997 -8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.137 -3.821 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.620 -3.047 -9.783 1.00 0.00 H new ATOM 328 N THR A 20 15.423 1.425 -6.262 1.00 0.00 N ATOM 329 CA THR A 20 16.191 1.862 -5.073 1.00 0.00 C ATOM 330 C THR A 20 15.291 1.735 -3.850 1.00 0.00 C ATOM 331 O THR A 20 14.199 1.211 -3.925 1.00 0.00 O ATOM 332 CB THR A 20 16.598 3.336 -5.235 1.00 0.00 C ATOM 333 OG1 THR A 20 15.610 4.161 -4.634 1.00 0.00 O ATOM 334 CG2 THR A 20 16.725 3.700 -6.725 1.00 0.00 C ATOM 0 H THR A 20 14.690 2.071 -6.556 1.00 0.00 H new ATOM 0 HA THR A 20 17.085 1.248 -4.961 1.00 0.00 H new ATOM 0 HB THR A 20 17.563 3.491 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.789 4.131 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.014 4.747 -6.821 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.484 3.070 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.768 3.541 -7.221 1.00 0.00 H new ATOM 342 N TRP A 21 15.723 2.228 -2.730 1.00 0.00 N ATOM 343 CA TRP A 21 14.874 2.152 -1.516 1.00 0.00 C ATOM 344 C TRP A 21 14.843 3.524 -0.856 1.00 0.00 C ATOM 345 O TRP A 21 15.583 3.801 0.066 1.00 0.00 O ATOM 346 CB TRP A 21 15.447 1.116 -0.552 1.00 0.00 C ATOM 347 CG TRP A 21 14.850 -0.212 -0.873 1.00 0.00 C ATOM 348 CD1 TRP A 21 15.264 -1.027 -1.868 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.729 -0.880 -0.230 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.472 -2.161 -1.873 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.512 -2.117 -0.881 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.891 -0.537 0.847 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.495 -2.983 -0.477 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.865 -1.406 1.255 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.670 -2.627 0.593 1.00 0.00 C ATOM 0 H TRP A 21 16.628 2.681 -2.602 1.00 0.00 H new ATOM 0 HA TRP A 21 13.861 1.853 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.532 1.075 -0.642 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.223 1.393 0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.079 -0.826 -2.547 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.583 -2.934 -2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.037 0.400 1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.347 -3.923 -0.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.225 -1.133 2.081 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.881 -3.293 0.911 1.00 0.00 H new ATOM 366 N LYS A 22 14.003 4.395 -1.340 1.00 0.00 N ATOM 367 CA LYS A 22 13.940 5.763 -0.755 1.00 0.00 C ATOM 368 C LYS A 22 12.564 5.997 -0.109 1.00 0.00 C ATOM 369 O LYS A 22 11.550 5.639 -0.675 1.00 0.00 O ATOM 370 CB LYS A 22 14.168 6.788 -1.869 1.00 0.00 C ATOM 371 CG LYS A 22 15.306 6.312 -2.778 1.00 0.00 C ATOM 372 CD LYS A 22 16.310 7.450 -2.976 1.00 0.00 C ATOM 373 CE LYS A 22 16.776 7.473 -4.433 1.00 0.00 C ATOM 374 NZ LYS A 22 17.899 6.509 -4.610 1.00 0.00 N ATOM 0 H LYS A 22 13.360 4.220 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 22 14.709 5.869 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.255 6.918 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.414 7.759 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.802 5.448 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.907 5.993 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.851 8.404 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.164 7.315 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.950 7.211 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.098 8.478 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.093 6.384 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.750 6.876 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.639 5.593 -4.192 1.00 0.00 H new ATOM 388 N PRO A 23 12.570 6.595 1.063 1.00 0.00 N ATOM 389 CA PRO A 23 11.340 6.885 1.790 1.00 0.00 C ATOM 390 C PRO A 23 10.353 7.628 0.883 1.00 0.00 C ATOM 391 O PRO A 23 10.739 8.259 -0.081 1.00 0.00 O ATOM 392 CB PRO A 23 11.779 7.775 2.948 1.00 0.00 C ATOM 393 CG PRO A 23 13.279 7.398 3.149 1.00 0.00 C ATOM 394 CD PRO A 23 13.808 7.016 1.739 1.00 0.00 C ATOM 0 HA PRO A 23 10.834 5.983 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.659 8.832 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.193 7.583 3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.841 8.234 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.384 6.566 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.283 7.859 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.545 6.214 1.781 1.00 0.00 H new ATOM 402 N MET A 24 9.084 7.561 1.183 1.00 0.00 N ATOM 403 CA MET A 24 8.084 8.266 0.334 1.00 0.00 C ATOM 404 C MET A 24 6.768 8.416 1.097 1.00 0.00 C ATOM 405 O MET A 24 6.568 7.823 2.139 1.00 0.00 O ATOM 406 CB MET A 24 7.846 7.459 -0.951 1.00 0.00 C ATOM 407 CG MET A 24 6.817 6.343 -0.712 1.00 0.00 C ATOM 408 SD MET A 24 5.276 6.757 -1.561 1.00 0.00 S ATOM 409 CE MET A 24 5.652 5.927 -3.124 1.00 0.00 C ATOM 0 H MET A 24 8.698 7.050 1.977 1.00 0.00 H new ATOM 0 HA MET A 24 8.462 9.256 0.078 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.494 8.121 -1.742 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.786 7.026 -1.293 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.203 5.392 -1.079 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.636 6.223 0.356 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.338 6.558 -3.956 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.725 5.745 -3.191 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.120 4.977 -3.169 1.00 0.00 H new ATOM 419 N TRP A 25 5.856 9.184 0.569 1.00 0.00 N ATOM 420 CA TRP A 25 4.545 9.345 1.247 1.00 0.00 C ATOM 421 C TRP A 25 3.550 8.403 0.595 1.00 0.00 C ATOM 422 O TRP A 25 3.578 8.182 -0.598 1.00 0.00 O ATOM 423 CB TRP A 25 4.049 10.782 1.111 1.00 0.00 C ATOM 424 CG TRP A 25 2.811 10.954 1.930 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.550 11.014 1.440 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.694 11.079 3.376 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.668 11.179 2.496 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.327 11.223 3.710 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.638 11.084 4.418 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.911 11.367 5.036 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.225 11.225 5.754 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.863 11.367 6.061 1.00 0.00 C ATOM 0 H TRP A 25 5.964 9.705 -0.301 1.00 0.00 H new ATOM 0 HA TRP A 25 4.651 9.114 2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.819 11.478 1.443 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.842 11.011 0.065 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.277 10.945 0.397 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.343 11.258 2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.688 10.979 4.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.138 11.478 5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.958 11.224 6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.550 11.476 7.089 1.00 0.00 H new ATOM 443 N VAL A 26 2.683 7.827 1.365 1.00 0.00 N ATOM 444 CA VAL A 26 1.708 6.883 0.774 1.00 0.00 C ATOM 445 C VAL A 26 0.408 6.898 1.584 1.00 0.00 C ATOM 446 O VAL A 26 0.420 6.882 2.800 1.00 0.00 O ATOM 447 CB VAL A 26 2.337 5.491 0.775 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.129 5.294 2.063 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.251 4.416 0.662 1.00 0.00 C ATOM 0 H VAL A 26 2.606 7.967 2.372 1.00 0.00 H new ATOM 0 HA VAL A 26 1.464 7.173 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 26 3.005 5.401 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.579 4.301 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.914 6.048 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.462 5.392 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.714 3.429 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.568 4.498 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.697 4.555 -0.266 1.00 0.00 H new ATOM 459 N VAL A 27 -0.713 6.936 0.916 1.00 0.00 N ATOM 460 CA VAL A 27 -2.016 6.959 1.638 1.00 0.00 C ATOM 461 C VAL A 27 -2.901 5.819 1.127 1.00 0.00 C ATOM 462 O VAL A 27 -3.516 5.919 0.085 1.00 0.00 O ATOM 463 CB VAL A 27 -2.716 8.294 1.380 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.037 9.396 2.193 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.624 8.636 -0.108 1.00 0.00 C ATOM 0 H VAL A 27 -0.782 6.952 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.841 6.837 2.707 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.762 8.216 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.538 10.346 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.098 9.155 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.991 9.474 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.122 9.587 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.577 8.712 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.107 7.853 -0.692 1.00 0.00 H new ATOM 475 N LEU A 28 -2.970 4.738 1.853 1.00 0.00 N ATOM 476 CA LEU A 28 -3.815 3.597 1.406 1.00 0.00 C ATOM 477 C LEU A 28 -5.287 3.912 1.683 1.00 0.00 C ATOM 478 O LEU A 28 -5.697 4.067 2.817 1.00 0.00 O ATOM 479 CB LEU A 28 -3.413 2.334 2.171 1.00 0.00 C ATOM 480 CG LEU A 28 -3.488 2.598 3.675 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.635 1.789 4.280 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.168 2.178 4.329 1.00 0.00 C ATOM 0 H LEU A 28 -2.478 4.596 2.735 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.672 3.437 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.073 1.509 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.402 2.036 1.894 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.662 3.660 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.688 1.978 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.575 2.084 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.462 0.727 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.218 2.365 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.997 1.116 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.349 2.754 3.898 1.00 0.00 H new ATOM 494 N LEU A 29 -6.085 4.011 0.653 1.00 0.00 N ATOM 495 CA LEU A 29 -7.530 4.316 0.855 1.00 0.00 C ATOM 496 C LEU A 29 -8.346 3.025 0.734 1.00 0.00 C ATOM 497 O LEU A 29 -7.885 2.034 0.204 1.00 0.00 O ATOM 498 CB LEU A 29 -7.995 5.320 -0.201 1.00 0.00 C ATOM 499 CG LEU A 29 -7.043 6.519 -0.223 1.00 0.00 C ATOM 500 CD1 LEU A 29 -6.067 6.375 -1.391 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.853 7.806 -0.394 1.00 0.00 C ATOM 0 H LEU A 29 -5.798 3.894 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.676 4.744 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.021 4.846 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.009 5.652 0.020 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.486 6.558 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.389 7.229 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.491 5.457 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.623 6.337 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.178 8.661 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.408 7.765 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.551 7.910 0.437 1.00 0.00 H new ATOM 513 N GLU A 30 -9.553 3.028 1.232 1.00 0.00 N ATOM 514 CA GLU A 30 -10.398 1.801 1.161 1.00 0.00 C ATOM 515 C GLU A 30 -10.836 1.544 -0.283 1.00 0.00 C ATOM 516 O GLU A 30 -11.318 0.477 -0.611 1.00 0.00 O ATOM 517 CB GLU A 30 -11.638 1.989 2.040 1.00 0.00 C ATOM 518 CG GLU A 30 -12.387 3.250 1.607 1.00 0.00 C ATOM 519 CD GLU A 30 -13.894 2.988 1.651 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.423 2.514 0.659 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.494 3.267 2.676 1.00 0.00 O ATOM 0 H GLU A 30 -9.991 3.829 1.686 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.818 0.948 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.290 1.120 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.345 2.069 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.132 4.081 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.086 3.537 0.599 1.00 0.00 H new ATOM 528 N ASP A 31 -10.679 2.505 -1.150 1.00 0.00 N ATOM 529 CA ASP A 31 -11.096 2.298 -2.566 1.00 0.00 C ATOM 530 C ASP A 31 -9.861 2.219 -3.465 1.00 0.00 C ATOM 531 O ASP A 31 -9.963 2.029 -4.660 1.00 0.00 O ATOM 532 CB ASP A 31 -11.979 3.465 -3.012 1.00 0.00 C ATOM 533 CG ASP A 31 -13.437 3.006 -3.075 1.00 0.00 C ATOM 534 OD1 ASP A 31 -13.675 1.917 -3.567 1.00 0.00 O ATOM 535 OD2 ASP A 31 -14.292 3.754 -2.628 1.00 0.00 O ATOM 0 H ASP A 31 -10.282 3.421 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.655 1.366 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.878 4.298 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.657 3.826 -3.989 1.00 0.00 H new ATOM 540 N GLY A 32 -8.692 2.363 -2.902 1.00 0.00 N ATOM 541 CA GLY A 32 -7.455 2.293 -3.731 1.00 0.00 C ATOM 542 C GLY A 32 -6.315 2.998 -2.997 1.00 0.00 C ATOM 543 O GLY A 32 -6.502 4.024 -2.376 1.00 0.00 O ATOM 0 H GLY A 32 -8.540 2.526 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.191 1.253 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.625 2.763 -4.699 1.00 0.00 H new ATOM 547 N ILE A 33 -5.133 2.452 -3.057 1.00 0.00 N ATOM 548 CA ILE A 33 -3.985 3.087 -2.354 1.00 0.00 C ATOM 549 C ILE A 33 -3.202 3.975 -3.324 1.00 0.00 C ATOM 550 O ILE A 33 -2.690 3.520 -4.327 1.00 0.00 O ATOM 551 CB ILE A 33 -3.063 2.000 -1.803 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.775 1.257 -0.671 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.782 2.641 -1.266 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.398 -0.029 -1.216 1.00 0.00 C ATOM 0 H ILE A 33 -4.913 1.594 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.362 3.700 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.811 1.298 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.068 1.022 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.547 1.891 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.124 1.866 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.276 3.172 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.032 3.342 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.905 -0.558 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.118 0.218 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.616 -0.665 -1.631 1.00 0.00 H new ATOM 566 N GLU A 34 -3.093 5.237 -3.019 1.00 0.00 N ATOM 567 CA GLU A 34 -2.329 6.163 -3.903 1.00 0.00 C ATOM 568 C GLU A 34 -1.196 6.779 -3.085 1.00 0.00 C ATOM 569 O GLU A 34 -1.424 7.407 -2.071 1.00 0.00 O ATOM 570 CB GLU A 34 -3.256 7.267 -4.418 1.00 0.00 C ATOM 571 CG GLU A 34 -3.864 8.023 -3.234 1.00 0.00 C ATOM 572 CD GLU A 34 -5.315 8.388 -3.555 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.898 7.731 -4.401 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.818 9.320 -2.949 1.00 0.00 O ATOM 0 H GLU A 34 -3.502 5.670 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.924 5.620 -4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.700 7.955 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.047 6.835 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.823 7.407 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.287 8.925 -3.029 1.00 0.00 H new ATOM 581 N PHE A 35 0.027 6.587 -3.495 1.00 0.00 N ATOM 582 CA PHE A 35 1.160 7.147 -2.709 1.00 0.00 C ATOM 583 C PHE A 35 2.008 8.087 -3.568 1.00 0.00 C ATOM 584 O PHE A 35 2.168 7.895 -4.756 1.00 0.00 O ATOM 585 CB PHE A 35 2.031 5.998 -2.197 1.00 0.00 C ATOM 586 CG PHE A 35 2.315 5.035 -3.325 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.150 5.421 -4.382 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.749 3.754 -3.313 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.417 4.527 -5.427 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.016 2.858 -4.358 1.00 0.00 C ATOM 591 CZ PHE A 35 2.850 3.246 -5.415 1.00 0.00 C ATOM 0 H PHE A 35 0.289 6.070 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 35 0.758 7.716 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.966 6.388 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.525 5.480 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.588 6.408 -4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.106 3.456 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.060 4.825 -6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.579 1.870 -4.348 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.056 2.557 -6.221 1.00 0.00 H new ATOM 601 N TYR A 36 2.565 9.096 -2.954 1.00 0.00 N ATOM 602 CA TYR A 36 3.426 10.057 -3.697 1.00 0.00 C ATOM 603 C TYR A 36 4.748 10.200 -2.941 1.00 0.00 C ATOM 604 O TYR A 36 5.182 9.293 -2.259 1.00 0.00 O ATOM 605 CB TYR A 36 2.749 11.433 -3.774 1.00 0.00 C ATOM 606 CG TYR A 36 1.247 11.297 -3.663 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.662 10.881 -2.459 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.437 11.599 -4.766 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.732 10.766 -2.361 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.955 11.486 -4.667 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.539 11.070 -3.466 1.00 0.00 C ATOM 612 OH TYR A 36 -2.911 10.960 -3.369 1.00 0.00 O ATOM 0 H TYR A 36 2.458 9.296 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 36 3.592 9.688 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.121 12.072 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.007 11.918 -4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.285 10.649 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.887 11.919 -5.694 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.184 10.443 -1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.578 11.720 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.320 11.209 -4.224 1.00 0.00 H new ATOM 622 N LYS A 37 5.381 11.336 -3.036 1.00 0.00 N ATOM 623 CA LYS A 37 6.660 11.534 -2.298 1.00 0.00 C ATOM 624 C LYS A 37 6.357 12.291 -1.005 1.00 0.00 C ATOM 625 O LYS A 37 6.850 11.957 0.055 1.00 0.00 O ATOM 626 CB LYS A 37 7.632 12.347 -3.155 1.00 0.00 C ATOM 627 CG LYS A 37 8.955 11.589 -3.282 1.00 0.00 C ATOM 628 CD LYS A 37 10.108 12.589 -3.383 1.00 0.00 C ATOM 629 CE LYS A 37 10.332 12.964 -4.850 1.00 0.00 C ATOM 630 NZ LYS A 37 11.767 13.303 -5.062 1.00 0.00 N ATOM 0 H LYS A 37 5.070 12.133 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 37 7.115 10.570 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.204 12.522 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.802 13.324 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.098 10.939 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.936 10.949 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.882 13.481 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.017 12.156 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.044 12.135 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.703 13.812 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.920 13.558 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.027 14.107 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.357 12.481 -4.820 1.00 0.00 H new ATOM 644 N LYS A 38 5.533 13.300 -1.085 1.00 0.00 N ATOM 645 CA LYS A 38 5.171 14.076 0.132 1.00 0.00 C ATOM 646 C LYS A 38 3.720 13.760 0.497 1.00 0.00 C ATOM 647 O LYS A 38 3.086 12.933 -0.125 1.00 0.00 O ATOM 648 CB LYS A 38 5.316 15.573 -0.150 1.00 0.00 C ATOM 649 CG LYS A 38 6.746 15.871 -0.604 1.00 0.00 C ATOM 650 CD LYS A 38 6.715 16.560 -1.970 1.00 0.00 C ATOM 651 CE LYS A 38 7.507 17.867 -1.905 1.00 0.00 C ATOM 652 NZ LYS A 38 6.757 18.939 -2.617 1.00 0.00 N ATOM 0 H LYS A 38 5.093 13.621 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 38 5.831 13.806 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.608 15.879 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.081 16.147 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.245 16.509 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.320 14.946 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.140 15.903 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.685 16.762 -2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.673 18.153 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.489 17.733 -2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.296 19.828 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.621 18.666 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.830 19.073 -2.165 1.00 0.00 H new ATOM 666 N LYS A 39 3.182 14.404 1.494 1.00 0.00 N ATOM 667 CA LYS A 39 1.771 14.116 1.873 1.00 0.00 C ATOM 668 C LYS A 39 0.895 14.125 0.614 1.00 0.00 C ATOM 669 O LYS A 39 -0.163 13.529 0.582 1.00 0.00 O ATOM 670 CB LYS A 39 1.274 15.165 2.874 1.00 0.00 C ATOM 671 CG LYS A 39 -0.261 15.140 2.930 1.00 0.00 C ATOM 672 CD LYS A 39 -0.735 15.540 4.328 1.00 0.00 C ATOM 673 CE LYS A 39 0.050 14.748 5.369 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.866 14.289 6.450 1.00 0.00 N ATOM 0 H LYS A 39 3.653 15.111 2.059 1.00 0.00 H new ATOM 0 HA LYS A 39 1.713 13.134 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.687 14.963 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.621 16.156 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.672 15.823 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.627 14.143 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.590 16.609 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.802 15.344 4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.532 13.890 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.842 15.368 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.326 13.750 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.306 15.114 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.606 13.682 6.043 1.00 0.00 H new ATOM 688 N SER A 40 1.328 14.788 -0.425 1.00 0.00 N ATOM 689 CA SER A 40 0.518 14.821 -1.676 1.00 0.00 C ATOM 690 C SER A 40 1.443 14.918 -2.890 1.00 0.00 C ATOM 691 O SER A 40 1.336 14.152 -3.826 1.00 0.00 O ATOM 692 CB SER A 40 -0.411 16.036 -1.658 1.00 0.00 C ATOM 693 OG SER A 40 -0.739 16.358 -0.312 1.00 0.00 O ATOM 0 H SER A 40 2.205 15.307 -0.461 1.00 0.00 H new ATOM 0 HA SER A 40 -0.073 13.907 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.073 16.886 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.318 15.823 -2.224 1.00 0.00 H new ATOM 0 HG SER A 40 -1.333 17.137 -0.298 1.00 0.00 H new ATOM 699 N ASP A 41 2.347 15.863 -2.884 1.00 0.00 N ATOM 700 CA ASP A 41 3.273 16.022 -4.036 1.00 0.00 C ATOM 701 C ASP A 41 2.470 16.342 -5.299 1.00 0.00 C ATOM 702 O ASP A 41 2.985 16.336 -6.399 1.00 0.00 O ATOM 703 CB ASP A 41 4.058 14.725 -4.222 1.00 0.00 C ATOM 704 CG ASP A 41 4.786 14.742 -5.568 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.797 15.417 -5.663 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.319 14.081 -6.479 1.00 0.00 O ATOM 0 H ASP A 41 2.481 16.532 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 41 3.967 16.841 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.777 14.606 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.382 13.871 -4.176 1.00 0.00 H new ATOM 711 N ASN A 42 1.204 16.626 -5.148 1.00 0.00 N ATOM 712 CA ASN A 42 0.360 16.947 -6.330 1.00 0.00 C ATOM 713 C ASN A 42 0.686 15.988 -7.482 1.00 0.00 C ATOM 714 O ASN A 42 0.446 16.293 -8.634 1.00 0.00 O ATOM 715 CB ASN A 42 0.635 18.385 -6.774 1.00 0.00 C ATOM 716 CG ASN A 42 -0.643 19.216 -6.636 1.00 0.00 C ATOM 717 OD1 ASN A 42 -0.612 20.315 -6.118 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.770 18.735 -7.081 1.00 0.00 N ATOM 0 H ASN A 42 0.718 16.649 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.690 16.839 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.430 18.818 -6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.980 18.398 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.627 19.281 -6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.795 17.813 -7.516 1.00 0.00 H new ATOM 725 N SER A 43 1.228 14.834 -7.191 1.00 0.00 N ATOM 726 CA SER A 43 1.558 13.878 -8.289 1.00 0.00 C ATOM 727 C SER A 43 1.885 12.499 -7.700 1.00 0.00 C ATOM 728 O SER A 43 2.915 12.326 -7.079 1.00 0.00 O ATOM 729 CB SER A 43 2.769 14.396 -9.065 1.00 0.00 C ATOM 730 OG SER A 43 2.742 13.871 -10.385 1.00 0.00 O ATOM 0 H SER A 43 1.455 14.514 -6.249 1.00 0.00 H new ATOM 0 HA SER A 43 0.701 13.790 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.757 15.486 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.690 14.101 -8.563 1.00 0.00 H new ATOM 0 HG SER A 43 3.517 14.203 -10.885 1.00 0.00 H new ATOM 736 N PRO A 44 1.001 11.552 -7.911 1.00 0.00 N ATOM 737 CA PRO A 44 1.189 10.197 -7.405 1.00 0.00 C ATOM 738 C PRO A 44 2.291 9.481 -8.185 1.00 0.00 C ATOM 739 O PRO A 44 2.337 9.518 -9.399 1.00 0.00 O ATOM 740 CB PRO A 44 -0.158 9.517 -7.625 1.00 0.00 C ATOM 741 CG PRO A 44 -0.781 10.318 -8.810 1.00 0.00 C ATOM 742 CD PRO A 44 -0.244 11.769 -8.664 1.00 0.00 C ATOM 0 HA PRO A 44 1.493 10.182 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.039 8.462 -7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.783 9.567 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.491 9.888 -9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.870 10.297 -8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.061 12.237 -9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.941 12.411 -8.126 1.00 0.00 H new ATOM 750 N LYS A 45 3.175 8.823 -7.490 1.00 0.00 N ATOM 751 CA LYS A 45 4.274 8.093 -8.172 1.00 0.00 C ATOM 752 C LYS A 45 3.801 6.664 -8.470 1.00 0.00 C ATOM 753 O LYS A 45 4.349 5.978 -9.311 1.00 0.00 O ATOM 754 CB LYS A 45 5.515 8.094 -7.252 1.00 0.00 C ATOM 755 CG LYS A 45 6.156 6.702 -7.184 1.00 0.00 C ATOM 756 CD LYS A 45 7.629 6.832 -6.792 1.00 0.00 C ATOM 757 CE LYS A 45 8.051 5.607 -5.979 1.00 0.00 C ATOM 758 NZ LYS A 45 9.220 4.952 -6.632 1.00 0.00 N ATOM 0 H LYS A 45 3.182 8.760 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 45 4.542 8.573 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.244 8.815 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.228 8.415 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.629 6.084 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.069 6.203 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.248 6.920 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.782 7.740 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.309 5.904 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.222 4.904 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.506 4.119 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.959 4.655 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.012 5.624 -6.680 1.00 0.00 H new ATOM 772 N GLY A 46 2.784 6.215 -7.786 1.00 0.00 N ATOM 773 CA GLY A 46 2.273 4.837 -8.026 1.00 0.00 C ATOM 774 C GLY A 46 1.045 4.594 -7.149 1.00 0.00 C ATOM 775 O GLY A 46 0.978 5.040 -6.022 1.00 0.00 O ATOM 0 H GLY A 46 2.285 6.744 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.014 4.711 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.048 4.105 -7.798 1.00 0.00 H new ATOM 779 N MET A 47 0.070 3.894 -7.656 1.00 0.00 N ATOM 780 CA MET A 47 -1.148 3.630 -6.846 1.00 0.00 C ATOM 781 C MET A 47 -1.561 2.167 -7.006 1.00 0.00 C ATOM 782 O MET A 47 -1.728 1.675 -8.104 1.00 0.00 O ATOM 783 CB MET A 47 -2.285 4.536 -7.324 1.00 0.00 C ATOM 784 CG MET A 47 -1.754 5.956 -7.516 1.00 0.00 C ATOM 785 SD MET A 47 -2.826 6.850 -8.669 1.00 0.00 S ATOM 786 CE MET A 47 -2.296 5.998 -10.175 1.00 0.00 C ATOM 0 H MET A 47 0.065 3.494 -8.594 1.00 0.00 H new ATOM 0 HA MET A 47 -0.937 3.835 -5.796 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.696 4.159 -8.261 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.097 4.534 -6.597 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.719 6.475 -6.558 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.734 5.926 -7.900 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.215 6.717 -10.990 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.326 5.530 -10.006 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.027 5.233 -10.437 1.00 0.00 H new ATOM 796 N ILE A 48 -1.731 1.471 -5.918 1.00 0.00 N ATOM 797 CA ILE A 48 -2.139 0.043 -6.008 1.00 0.00 C ATOM 798 C ILE A 48 -3.670 -0.033 -6.029 1.00 0.00 C ATOM 799 O ILE A 48 -4.326 0.660 -5.280 1.00 0.00 O ATOM 800 CB ILE A 48 -1.605 -0.717 -4.792 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.084 -0.553 -4.714 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.950 -2.200 -4.924 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.322 -0.228 -3.275 1.00 0.00 C ATOM 0 H ILE A 48 -1.605 1.829 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.734 -0.403 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.061 -0.317 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.408 -1.468 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.241 0.243 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.569 -2.741 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.032 -2.318 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.495 -2.600 -5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.404 -0.111 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.159 0.698 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.011 -1.039 -2.617 1.00 0.00 H new ATOM 815 N PRO A 49 -4.196 -0.867 -6.890 1.00 0.00 N ATOM 816 CA PRO A 49 -5.636 -1.027 -7.018 1.00 0.00 C ATOM 817 C PRO A 49 -6.202 -1.779 -5.809 1.00 0.00 C ATOM 818 O PRO A 49 -5.607 -2.714 -5.312 1.00 0.00 O ATOM 819 CB PRO A 49 -5.816 -1.844 -8.292 1.00 0.00 C ATOM 820 CG PRO A 49 -4.472 -2.628 -8.414 1.00 0.00 C ATOM 821 CD PRO A 49 -3.388 -1.703 -7.792 1.00 0.00 C ATOM 0 HA PRO A 49 -6.159 -0.072 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.669 -2.519 -8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.988 -1.205 -9.158 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.525 -3.580 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.243 -2.854 -9.456 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.626 -2.268 -7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.872 -1.111 -8.548 1.00 0.00 H new ATOM 829 N LEU A 50 -7.350 -1.375 -5.338 1.00 0.00 N ATOM 830 CA LEU A 50 -7.963 -2.062 -4.168 1.00 0.00 C ATOM 831 C LEU A 50 -8.542 -3.410 -4.612 1.00 0.00 C ATOM 832 O LEU A 50 -9.095 -4.148 -3.823 1.00 0.00 O ATOM 833 CB LEU A 50 -9.084 -1.185 -3.602 1.00 0.00 C ATOM 834 CG LEU A 50 -8.733 -0.732 -2.180 1.00 0.00 C ATOM 835 CD1 LEU A 50 -8.936 -1.895 -1.210 1.00 0.00 C ATOM 836 CD2 LEU A 50 -7.273 -0.270 -2.122 1.00 0.00 C ATOM 0 H LEU A 50 -7.891 -0.596 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.206 -2.230 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.234 -0.316 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.022 -1.741 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.382 0.098 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.687 -1.573 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.977 -2.218 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.290 -2.725 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.033 0.050 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.619 -1.094 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.127 0.563 -2.810 1.00 0.00 H new ATOM 848 N LYS A 51 -8.417 -3.737 -5.872 1.00 0.00 N ATOM 849 CA LYS A 51 -8.959 -5.035 -6.363 1.00 0.00 C ATOM 850 C LYS A 51 -8.583 -6.146 -5.381 1.00 0.00 C ATOM 851 O LYS A 51 -9.289 -6.411 -4.429 1.00 0.00 O ATOM 852 CB LYS A 51 -8.368 -5.345 -7.740 1.00 0.00 C ATOM 853 CG LYS A 51 -9.276 -4.771 -8.830 1.00 0.00 C ATOM 854 CD LYS A 51 -8.705 -3.439 -9.322 1.00 0.00 C ATOM 855 CE LYS A 51 -9.501 -2.958 -10.536 1.00 0.00 C ATOM 856 NZ LYS A 51 -8.561 -2.610 -11.639 1.00 0.00 N ATOM 0 H LYS A 51 -7.963 -3.160 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.044 -4.972 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.369 -4.917 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.265 -6.423 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.355 -5.474 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.283 -4.625 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.751 -2.696 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.654 -3.558 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.191 -3.736 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.103 -2.089 -10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.101 -2.283 -12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.920 -1.855 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.005 -3.450 -11.899 1.00 0.00 H new ATOM 870 N GLY A 52 -7.475 -6.800 -5.604 1.00 0.00 N ATOM 871 CA GLY A 52 -7.058 -7.893 -4.681 1.00 0.00 C ATOM 872 C GLY A 52 -5.565 -8.175 -4.854 1.00 0.00 C ATOM 873 O GLY A 52 -5.173 -9.214 -5.345 1.00 0.00 O ATOM 0 H GLY A 52 -6.842 -6.625 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.267 -7.610 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.634 -8.795 -4.887 1.00 0.00 H new ATOM 877 N SER A 53 -4.729 -7.257 -4.452 1.00 0.00 N ATOM 878 CA SER A 53 -3.260 -7.473 -4.593 1.00 0.00 C ATOM 879 C SER A 53 -2.846 -8.711 -3.801 1.00 0.00 C ATOM 880 O SER A 53 -3.658 -9.553 -3.476 1.00 0.00 O ATOM 881 CB SER A 53 -2.508 -6.253 -4.065 1.00 0.00 C ATOM 882 OG SER A 53 -3.047 -5.076 -4.654 1.00 0.00 O ATOM 0 H SER A 53 -4.999 -6.367 -4.032 1.00 0.00 H new ATOM 0 HA SER A 53 -3.017 -7.619 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.592 -6.201 -2.979 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.447 -6.337 -4.299 1.00 0.00 H new ATOM 0 HG SER A 53 -3.246 -4.421 -3.953 1.00 0.00 H new ATOM 888 N THR A 54 -1.583 -8.837 -3.504 1.00 0.00 N ATOM 889 CA THR A 54 -1.117 -10.027 -2.752 1.00 0.00 C ATOM 890 C THR A 54 -0.058 -9.608 -1.730 1.00 0.00 C ATOM 891 O THR A 54 0.958 -9.044 -2.072 1.00 0.00 O ATOM 892 CB THR A 54 -0.514 -11.017 -3.744 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.611 -10.482 -5.056 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.282 -12.333 -3.679 1.00 0.00 C ATOM 0 H THR A 54 -0.856 -8.166 -3.751 1.00 0.00 H new ATOM 0 HA THR A 54 -1.951 -10.488 -2.224 1.00 0.00 H new ATOM 0 HB THR A 54 0.532 -11.193 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.415 -9.522 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.852 -13.041 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.216 -12.743 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.328 -12.157 -3.932 1.00 0.00 H new ATOM 902 N LEU A 55 -0.288 -9.884 -0.477 1.00 0.00 N ATOM 903 CA LEU A 55 0.705 -9.498 0.566 1.00 0.00 C ATOM 904 C LEU A 55 1.717 -10.634 0.742 1.00 0.00 C ATOM 905 O LEU A 55 1.357 -11.755 1.045 1.00 0.00 O ATOM 906 CB LEU A 55 -0.031 -9.267 1.890 1.00 0.00 C ATOM 907 CG LEU A 55 0.792 -8.370 2.821 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.310 -8.568 4.260 1.00 0.00 C ATOM 909 CD2 LEU A 55 2.277 -8.739 2.735 1.00 0.00 C ATOM 0 H LEU A 55 -1.120 -10.360 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 55 1.225 -8.588 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.000 -8.807 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.224 -10.224 2.376 1.00 0.00 H new ATOM 0 HG LEU A 55 0.665 -7.330 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.891 -7.933 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.744 -8.301 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.440 -9.612 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.851 -8.095 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.411 -9.779 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.626 -8.606 1.711 1.00 0.00 H new ATOM 921 N THR A 56 2.979 -10.359 0.553 1.00 0.00 N ATOM 922 CA THR A 56 4.007 -11.427 0.711 1.00 0.00 C ATOM 923 C THR A 56 4.926 -11.086 1.887 1.00 0.00 C ATOM 924 O THR A 56 5.658 -10.116 1.854 1.00 0.00 O ATOM 925 CB THR A 56 4.840 -11.533 -0.570 1.00 0.00 C ATOM 926 OG1 THR A 56 4.004 -11.944 -1.644 1.00 0.00 O ATOM 927 CG2 THR A 56 5.957 -12.558 -0.370 1.00 0.00 C ATOM 0 H THR A 56 3.342 -9.441 0.296 1.00 0.00 H new ATOM 0 HA THR A 56 3.510 -12.378 0.901 1.00 0.00 H new ATOM 0 HB THR A 56 5.278 -10.562 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.535 -12.011 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.549 -12.633 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.597 -12.242 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.522 -13.530 -0.139 1.00 0.00 H new ATOM 935 N SER A 57 4.894 -11.875 2.926 1.00 0.00 N ATOM 936 CA SER A 57 5.767 -11.597 4.103 1.00 0.00 C ATOM 937 C SER A 57 6.220 -12.923 4.727 1.00 0.00 C ATOM 938 O SER A 57 5.402 -13.725 5.134 1.00 0.00 O ATOM 939 CB SER A 57 4.986 -10.787 5.138 1.00 0.00 C ATOM 940 OG SER A 57 3.812 -11.502 5.503 1.00 0.00 O ATOM 0 H SER A 57 4.301 -12.701 3.011 1.00 0.00 H new ATOM 0 HA SER A 57 6.640 -11.029 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.604 -10.606 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.720 -9.812 4.729 1.00 0.00 H new ATOM 0 HG SER A 57 3.987 -12.465 5.455 1.00 0.00 H new ATOM 946 N PRO A 58 7.515 -13.110 4.784 1.00 0.00 N ATOM 947 CA PRO A 58 8.470 -12.131 4.288 1.00 0.00 C ATOM 948 C PRO A 58 8.452 -12.098 2.759 1.00 0.00 C ATOM 949 O PRO A 58 7.775 -12.878 2.119 1.00 0.00 O ATOM 950 CB PRO A 58 9.811 -12.611 4.795 1.00 0.00 C ATOM 951 CG PRO A 58 9.606 -14.147 4.978 1.00 0.00 C ATOM 952 CD PRO A 58 8.106 -14.329 5.353 1.00 0.00 C ATOM 0 HA PRO A 58 8.242 -11.120 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.609 -12.395 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.081 -12.128 5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.849 -14.686 4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.256 -14.538 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.681 -15.233 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.957 -14.393 6.431 1.00 0.00 H new ATOM 960 N CYS A 59 9.190 -11.200 2.168 1.00 0.00 N ATOM 961 CA CYS A 59 9.215 -11.114 0.682 1.00 0.00 C ATOM 962 C CYS A 59 10.339 -12.002 0.137 1.00 0.00 C ATOM 963 O CYS A 59 10.163 -13.187 -0.062 1.00 0.00 O ATOM 964 CB CYS A 59 9.455 -9.663 0.263 1.00 0.00 C ATOM 965 SG CYS A 59 9.850 -9.599 -1.502 1.00 0.00 S ATOM 0 H CYS A 59 9.778 -10.521 2.651 1.00 0.00 H new ATOM 0 HA CYS A 59 8.261 -11.454 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.569 -9.063 0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.272 -9.236 0.845 1.00 0.00 H new ATOM 0 HG CYS A 59 10.155 -8.380 -1.835 1.00 0.00 H new ATOM 971 N GLN A 60 11.493 -11.438 -0.104 1.00 0.00 N ATOM 972 CA GLN A 60 12.624 -12.251 -0.636 1.00 0.00 C ATOM 973 C GLN A 60 13.929 -11.787 0.009 1.00 0.00 C ATOM 974 O GLN A 60 13.947 -11.318 1.130 1.00 0.00 O ATOM 975 CB GLN A 60 12.713 -12.073 -2.153 1.00 0.00 C ATOM 976 CG GLN A 60 11.337 -12.315 -2.780 1.00 0.00 C ATOM 977 CD GLN A 60 11.479 -13.257 -3.977 1.00 0.00 C ATOM 978 OE1 GLN A 60 12.042 -12.892 -4.990 1.00 0.00 O ATOM 979 NE2 GLN A 60 10.988 -14.464 -3.902 1.00 0.00 N ATOM 0 H GLN A 60 11.700 -10.450 0.045 1.00 0.00 H new ATOM 0 HA GLN A 60 12.456 -13.303 -0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.061 -11.068 -2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.441 -12.769 -2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.661 -12.747 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.899 -11.369 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.515 -14.770 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.077 -15.101 -4.694 1.00 0.00 H new ATOM 988 N ASP A 61 15.022 -11.903 -0.694 1.00 0.00 N ATOM 989 CA ASP A 61 16.321 -11.454 -0.122 1.00 0.00 C ATOM 990 C ASP A 61 16.215 -9.972 0.239 1.00 0.00 C ATOM 991 O ASP A 61 17.029 -9.438 0.966 1.00 0.00 O ATOM 992 CB ASP A 61 17.433 -11.652 -1.155 1.00 0.00 C ATOM 993 CG ASP A 61 18.244 -12.899 -0.801 1.00 0.00 C ATOM 994 OD1 ASP A 61 19.158 -12.780 -0.002 1.00 0.00 O ATOM 995 OD2 ASP A 61 17.938 -13.953 -1.336 1.00 0.00 O ATOM 0 H ASP A 61 15.071 -12.288 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 61 16.554 -12.037 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.004 -11.756 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.083 -10.777 -1.177 1.00 0.00 H new ATOM 1000 N PHE A 62 15.209 -9.306 -0.263 1.00 0.00 N ATOM 1001 CA PHE A 62 15.038 -7.860 0.051 1.00 0.00 C ATOM 1002 C PHE A 62 14.111 -7.717 1.259 1.00 0.00 C ATOM 1003 O PHE A 62 14.203 -6.774 2.019 1.00 0.00 O ATOM 1004 CB PHE A 62 14.417 -7.148 -1.153 1.00 0.00 C ATOM 1005 CG PHE A 62 15.271 -5.966 -1.544 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.769 -5.103 -0.558 1.00 0.00 C ATOM 1007 CD2 PHE A 62 15.562 -5.730 -2.894 1.00 0.00 C ATOM 1008 CE1 PHE A 62 16.559 -4.006 -0.923 1.00 0.00 C ATOM 1009 CE2 PHE A 62 16.352 -4.631 -3.258 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.850 -3.769 -2.273 1.00 0.00 C ATOM 0 H PHE A 62 14.498 -9.703 -0.878 1.00 0.00 H new ATOM 0 HA PHE A 62 16.007 -7.415 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 62 14.331 -7.839 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.408 -6.815 -0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.544 -5.284 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.178 -6.395 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.944 -3.342 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.577 -4.449 -4.299 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.458 -2.922 -2.554 1.00 0.00 H new ATOM 1020 N GLY A 63 13.216 -8.650 1.436 1.00 0.00 N ATOM 1021 CA GLY A 63 12.276 -8.575 2.591 1.00 0.00 C ATOM 1022 C GLY A 63 12.931 -9.189 3.829 1.00 0.00 C ATOM 1023 O GLY A 63 12.469 -9.014 4.939 1.00 0.00 O ATOM 0 H GLY A 63 13.095 -9.462 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.007 -7.537 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.353 -9.104 2.356 1.00 0.00 H new ATOM 1027 N LYS A 64 14.004 -9.909 3.650 1.00 0.00 N ATOM 1028 CA LYS A 64 14.686 -10.535 4.817 1.00 0.00 C ATOM 1029 C LYS A 64 15.638 -9.523 5.458 1.00 0.00 C ATOM 1030 O LYS A 64 16.844 -9.651 5.374 1.00 0.00 O ATOM 1031 CB LYS A 64 15.477 -11.757 4.350 1.00 0.00 C ATOM 1032 CG LYS A 64 15.699 -12.703 5.531 1.00 0.00 C ATOM 1033 CD LYS A 64 17.085 -13.342 5.420 1.00 0.00 C ATOM 1034 CE LYS A 64 17.427 -14.052 6.731 1.00 0.00 C ATOM 1035 NZ LYS A 64 18.137 -13.107 7.638 1.00 0.00 N ATOM 0 H LYS A 64 14.438 -10.091 2.745 1.00 0.00 H new ATOM 0 HA LYS A 64 13.940 -10.844 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.937 -12.271 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.435 -11.446 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.613 -12.156 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.930 -13.476 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.104 -14.053 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.832 -12.579 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.517 -14.416 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.053 -14.922 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.369 -13.590 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.013 -12.781 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.525 -12.290 7.836 1.00 0.00 H new ATOM 1049 N ARG A 65 15.107 -8.519 6.100 1.00 0.00 N ATOM 1050 CA ARG A 65 15.981 -7.500 6.746 1.00 0.00 C ATOM 1051 C ARG A 65 15.149 -6.266 7.098 1.00 0.00 C ATOM 1052 O ARG A 65 14.578 -5.626 6.237 1.00 0.00 O ATOM 1053 CB ARG A 65 17.102 -7.105 5.783 1.00 0.00 C ATOM 1054 CG ARG A 65 18.448 -7.555 6.355 1.00 0.00 C ATOM 1055 CD ARG A 65 19.555 -6.628 5.849 1.00 0.00 C ATOM 1056 NE ARG A 65 20.880 -7.160 6.274 1.00 0.00 N ATOM 1057 CZ ARG A 65 21.124 -8.440 6.196 1.00 0.00 C ATOM 1058 NH1 ARG A 65 21.547 -8.956 5.075 1.00 0.00 N ATOM 1059 NH2 ARG A 65 20.947 -9.202 7.240 1.00 0.00 N ATOM 0 H ARG A 65 14.105 -8.360 6.205 1.00 0.00 H new ATOM 0 HA ARG A 65 16.415 -7.916 7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.937 -7.564 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.102 -6.026 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.416 -7.539 7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.656 -8.583 6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.513 -6.553 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.411 -5.622 6.244 1.00 0.00 H new ATOM 0 HE ARG A 65 21.596 -6.524 6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.687 -8.359 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.738 -9.956 5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.618 -8.798 8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.138 -10.202 7.180 1.00 0.00 H new ATOM 1073 N MET A 66 15.076 -5.927 8.356 1.00 0.00 N ATOM 1074 CA MET A 66 14.281 -4.735 8.762 1.00 0.00 C ATOM 1075 C MET A 66 12.796 -5.003 8.511 1.00 0.00 C ATOM 1076 O MET A 66 12.401 -6.099 8.169 1.00 0.00 O ATOM 1077 CB MET A 66 14.727 -3.520 7.945 1.00 0.00 C ATOM 1078 CG MET A 66 15.580 -2.603 8.822 1.00 0.00 C ATOM 1079 SD MET A 66 15.642 -0.950 8.088 1.00 0.00 S ATOM 1080 CE MET A 66 16.887 -0.255 9.201 1.00 0.00 C ATOM 0 H MET A 66 15.533 -6.425 9.120 1.00 0.00 H new ATOM 0 HA MET A 66 14.440 -4.536 9.822 1.00 0.00 H new ATOM 0 HB2 MET A 66 15.298 -3.843 7.075 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.857 -2.979 7.573 1.00 0.00 H new ATOM 0 HG2 MET A 66 15.161 -2.551 9.827 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.587 -3.008 8.918 1.00 0.00 H new ATOM 0 HE1 MET A 66 17.084 0.781 8.925 1.00 0.00 H new ATOM 0 HE2 MET A 66 16.520 -0.294 10.227 1.00 0.00 H new ATOM 0 HE3 MET A 66 17.808 -0.833 9.123 1.00 0.00 H new ATOM 1090 N PHE A 67 11.969 -4.006 8.678 1.00 0.00 N ATOM 1091 CA PHE A 67 10.510 -4.201 8.450 1.00 0.00 C ATOM 1092 C PHE A 67 10.192 -3.941 6.977 1.00 0.00 C ATOM 1093 O PHE A 67 9.785 -2.860 6.600 1.00 0.00 O ATOM 1094 CB PHE A 67 9.719 -3.222 9.324 1.00 0.00 C ATOM 1095 CG PHE A 67 10.480 -2.951 10.601 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.439 -3.878 11.651 1.00 0.00 C ATOM 1097 CD2 PHE A 67 11.229 -1.774 10.734 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.146 -3.627 12.835 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.936 -1.524 11.917 1.00 0.00 C ATOM 1100 CZ PHE A 67 11.894 -2.450 12.968 1.00 0.00 C ATOM 0 H PHE A 67 12.242 -3.065 8.963 1.00 0.00 H new ATOM 0 HA PHE A 67 10.233 -5.222 8.711 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.552 -2.290 8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.738 -3.637 9.555 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.863 -4.786 11.548 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.261 -1.060 9.924 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.114 -4.341 13.645 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.514 -0.617 12.019 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.438 -2.256 13.880 1.00 0.00 H new ATOM 1110 N VAL A 68 10.381 -4.922 6.138 1.00 0.00 N ATOM 1111 CA VAL A 68 10.099 -4.728 4.688 1.00 0.00 C ATOM 1112 C VAL A 68 9.159 -5.828 4.190 1.00 0.00 C ATOM 1113 O VAL A 68 9.324 -6.990 4.501 1.00 0.00 O ATOM 1114 CB VAL A 68 11.418 -4.786 3.914 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.270 -5.934 4.453 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.139 -5.016 2.427 1.00 0.00 C ATOM 0 H VAL A 68 10.719 -5.850 6.394 1.00 0.00 H new ATOM 0 HA VAL A 68 9.622 -3.760 4.533 1.00 0.00 H new ATOM 0 HB VAL A 68 11.949 -3.842 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.210 -5.978 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.475 -5.769 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.733 -6.875 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.082 -5.056 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.605 -5.958 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.531 -4.198 2.040 1.00 0.00 H new ATOM 1126 N PHE A 69 8.175 -5.469 3.410 1.00 0.00 N ATOM 1127 CA PHE A 69 7.230 -6.493 2.882 1.00 0.00 C ATOM 1128 C PHE A 69 7.198 -6.414 1.349 1.00 0.00 C ATOM 1129 O PHE A 69 7.855 -5.583 0.749 1.00 0.00 O ATOM 1130 CB PHE A 69 5.830 -6.250 3.480 1.00 0.00 C ATOM 1131 CG PHE A 69 5.002 -5.338 2.597 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.596 -4.258 1.931 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.630 -5.573 2.456 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.819 -3.415 1.124 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.851 -4.731 1.653 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.446 -3.652 0.987 1.00 0.00 C ATOM 0 H PHE A 69 7.985 -4.511 3.116 1.00 0.00 H new ATOM 0 HA PHE A 69 7.559 -7.492 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.316 -7.203 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.928 -5.808 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.655 -4.074 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.171 -6.406 2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.279 -2.584 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.792 -4.913 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.845 -3.003 0.367 1.00 0.00 H new ATOM 1146 N LYS A 70 6.437 -7.262 0.712 1.00 0.00 N ATOM 1147 CA LYS A 70 6.367 -7.227 -0.779 1.00 0.00 C ATOM 1148 C LYS A 70 4.941 -7.542 -1.239 1.00 0.00 C ATOM 1149 O LYS A 70 4.495 -8.669 -1.176 1.00 0.00 O ATOM 1150 CB LYS A 70 7.328 -8.273 -1.352 1.00 0.00 C ATOM 1151 CG LYS A 70 7.081 -8.435 -2.855 1.00 0.00 C ATOM 1152 CD LYS A 70 7.800 -9.689 -3.356 1.00 0.00 C ATOM 1153 CE LYS A 70 6.885 -10.452 -4.314 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.357 -10.257 -5.714 1.00 0.00 N ATOM 0 H LYS A 70 5.861 -7.977 1.157 1.00 0.00 H new ATOM 0 HA LYS A 70 6.647 -6.234 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.359 -7.969 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.185 -9.228 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.012 -8.512 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.442 -7.557 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.725 -9.413 -3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.074 -10.325 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.883 -11.513 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.859 -10.099 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.549 -10.322 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.800 -9.320 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.052 -10.993 -5.952 1.00 0.00 H new ATOM 1168 N ILE A 71 4.225 -6.558 -1.711 1.00 0.00 N ATOM 1169 CA ILE A 71 2.833 -6.815 -2.181 1.00 0.00 C ATOM 1170 C ILE A 71 2.867 -7.165 -3.674 1.00 0.00 C ATOM 1171 O ILE A 71 3.877 -7.029 -4.336 1.00 0.00 O ATOM 1172 CB ILE A 71 1.968 -5.562 -1.925 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.111 -5.790 -0.679 1.00 0.00 C ATOM 1174 CG2 ILE A 71 1.040 -5.259 -3.116 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.430 -4.479 -0.282 1.00 0.00 C ATOM 0 H ILE A 71 4.541 -5.592 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 71 2.396 -7.651 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 71 2.638 -4.713 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.362 -6.557 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.731 -6.153 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.447 -4.371 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.640 -5.085 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.375 -6.106 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.181 -4.641 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.188 -3.725 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.203 -4.135 -1.100 1.00 0.00 H new ATOM 1187 N THR A 72 1.762 -7.607 -4.202 1.00 0.00 N ATOM 1188 CA THR A 72 1.703 -7.961 -5.646 1.00 0.00 C ATOM 1189 C THR A 72 0.309 -7.617 -6.169 1.00 0.00 C ATOM 1190 O THR A 72 -0.603 -8.416 -6.108 1.00 0.00 O ATOM 1191 CB THR A 72 1.974 -9.459 -5.817 1.00 0.00 C ATOM 1192 OG1 THR A 72 3.363 -9.707 -5.653 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.537 -9.908 -7.213 1.00 0.00 C ATOM 0 H THR A 72 0.889 -7.739 -3.691 1.00 0.00 H new ATOM 0 HA THR A 72 2.455 -7.404 -6.205 1.00 0.00 H new ATOM 0 HB THR A 72 1.411 -10.016 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.809 -8.887 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.732 -10.974 -7.330 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.471 -9.718 -7.339 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.096 -9.352 -7.966 1.00 0.00 H new ATOM 1201 N THR A 73 0.136 -6.421 -6.666 1.00 0.00 N ATOM 1202 CA THR A 73 -1.205 -6.008 -7.176 1.00 0.00 C ATOM 1203 C THR A 73 -1.851 -7.168 -7.937 1.00 0.00 C ATOM 1204 O THR A 73 -1.187 -7.922 -8.620 1.00 0.00 O ATOM 1205 CB THR A 73 -1.066 -4.798 -8.107 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.745 -5.241 -9.417 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.034 -3.865 -7.597 1.00 0.00 C ATOM 0 H THR A 73 0.865 -5.712 -6.741 1.00 0.00 H new ATOM 0 HA THR A 73 -1.834 -5.736 -6.329 1.00 0.00 H new ATOM 0 HB THR A 73 -2.011 -4.255 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.658 -4.467 -10.012 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.124 -3.009 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.219 -3.518 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.982 -4.403 -7.566 1.00 0.00 H new ATOM 1215 N THR A 74 -3.141 -7.317 -7.810 1.00 0.00 N ATOM 1216 CA THR A 74 -3.848 -8.429 -8.509 1.00 0.00 C ATOM 1217 C THR A 74 -3.284 -8.601 -9.920 1.00 0.00 C ATOM 1218 O THR A 74 -3.286 -9.685 -10.471 1.00 0.00 O ATOM 1219 CB THR A 74 -5.343 -8.110 -8.590 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.903 -8.760 -9.721 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.542 -6.599 -8.715 1.00 0.00 C ATOM 0 H THR A 74 -3.740 -6.712 -7.248 1.00 0.00 H new ATOM 0 HA THR A 74 -3.701 -9.354 -7.952 1.00 0.00 H new ATOM 0 HB THR A 74 -5.838 -8.463 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.861 -8.558 -9.774 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.607 -6.376 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.114 -6.102 -7.844 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.047 -6.240 -9.617 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.799 -7.545 -10.512 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.235 -7.659 -11.886 1.00 0.00 C ATOM 1231 C LYS A 75 -0.889 -8.382 -11.822 1.00 0.00 C ATOM 1232 O LYS A 75 -0.760 -9.512 -12.251 1.00 0.00 O ATOM 1233 CB LYS A 75 -2.037 -6.261 -12.475 1.00 0.00 C ATOM 1234 CG LYS A 75 -2.560 -6.236 -13.913 1.00 0.00 C ATOM 1235 CD LYS A 75 -2.696 -4.785 -14.381 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.791 -4.553 -15.593 1.00 0.00 C ATOM 1237 NZ LYS A 75 -0.364 -4.620 -15.166 1.00 0.00 N ATOM 0 H LYS A 75 -2.769 -6.610 -10.105 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.922 -8.223 -12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.565 -5.522 -11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.981 -5.993 -12.456 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.879 -6.778 -14.569 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.525 -6.740 -13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.733 -4.571 -14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.423 -4.104 -13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.989 -5.304 -16.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.003 -3.581 -16.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.242 -4.234 -15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.235 -4.063 -14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.102 -5.610 -14.984 1.00 0.00 H new ATOM 1251 N GLN A 76 0.115 -7.740 -11.289 1.00 0.00 N ATOM 1252 CA GLN A 76 1.451 -8.392 -11.196 1.00 0.00 C ATOM 1253 C GLN A 76 2.515 -7.330 -10.914 1.00 0.00 C ATOM 1254 O GLN A 76 3.615 -7.388 -11.428 1.00 0.00 O ATOM 1255 CB GLN A 76 1.769 -9.095 -12.518 1.00 0.00 C ATOM 1256 CG GLN A 76 1.229 -8.262 -13.682 1.00 0.00 C ATOM 1257 CD GLN A 76 2.082 -8.509 -14.927 1.00 0.00 C ATOM 1258 OE1 GLN A 76 3.283 -8.671 -14.833 1.00 0.00 O ATOM 1259 NE2 GLN A 76 1.510 -8.546 -16.100 1.00 0.00 N ATOM 0 H GLN A 76 0.067 -6.793 -10.914 1.00 0.00 H new ATOM 0 HA GLN A 76 1.444 -9.124 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.846 -9.228 -12.621 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.322 -10.089 -12.530 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.191 -8.527 -13.881 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.244 -7.203 -13.423 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.502 -8.410 -16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.071 -8.711 -16.936 1.00 0.00 H new ATOM 1268 N GLN A 77 2.198 -6.359 -10.102 1.00 0.00 N ATOM 1269 CA GLN A 77 3.190 -5.294 -9.790 1.00 0.00 C ATOM 1270 C GLN A 77 3.712 -5.481 -8.363 1.00 0.00 C ATOM 1271 O GLN A 77 3.072 -5.100 -7.404 1.00 0.00 O ATOM 1272 CB GLN A 77 2.521 -3.923 -9.911 1.00 0.00 C ATOM 1273 CG GLN A 77 3.289 -3.069 -10.921 1.00 0.00 C ATOM 1274 CD GLN A 77 3.285 -1.609 -10.463 1.00 0.00 C ATOM 1275 OE1 GLN A 77 2.308 -1.131 -9.922 1.00 0.00 O ATOM 1276 NE2 GLN A 77 4.346 -0.875 -10.659 1.00 0.00 N ATOM 0 H GLN A 77 1.294 -6.258 -9.641 1.00 0.00 H new ATOM 0 HA GLN A 77 4.022 -5.358 -10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.485 -4.039 -10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.502 -3.428 -8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.314 -3.429 -11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.831 -3.153 -11.907 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.167 -1.276 -11.113 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.355 0.100 -10.358 1.00 0.00 H new ATOM 1285 N ASP A 78 4.873 -6.062 -8.215 1.00 0.00 N ATOM 1286 CA ASP A 78 5.432 -6.266 -6.850 1.00 0.00 C ATOM 1287 C ASP A 78 5.681 -4.904 -6.198 1.00 0.00 C ATOM 1288 O ASP A 78 5.905 -3.917 -6.870 1.00 0.00 O ATOM 1289 CB ASP A 78 6.750 -7.037 -6.945 1.00 0.00 C ATOM 1290 CG ASP A 78 7.573 -6.503 -8.119 1.00 0.00 C ATOM 1291 OD1 ASP A 78 7.602 -5.296 -8.296 1.00 0.00 O ATOM 1292 OD2 ASP A 78 8.158 -7.310 -8.822 1.00 0.00 O ATOM 0 H ASP A 78 5.456 -6.403 -8.979 1.00 0.00 H new ATOM 0 HA ASP A 78 4.725 -6.836 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.312 -6.933 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.552 -8.100 -7.080 1.00 0.00 H new ATOM 1297 N HIS A 79 5.644 -4.840 -4.896 1.00 0.00 N ATOM 1298 CA HIS A 79 5.879 -3.539 -4.211 1.00 0.00 C ATOM 1299 C HIS A 79 6.634 -3.774 -2.901 1.00 0.00 C ATOM 1300 O HIS A 79 6.048 -4.081 -1.881 1.00 0.00 O ATOM 1301 CB HIS A 79 4.532 -2.872 -3.912 1.00 0.00 C ATOM 1302 CG HIS A 79 4.017 -2.204 -5.156 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.472 -0.962 -5.571 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.085 -2.591 -6.087 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.821 -0.649 -6.705 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.963 -1.608 -7.064 1.00 0.00 N ATOM 0 H HIS A 79 5.462 -5.631 -4.278 1.00 0.00 H new ATOM 0 HA HIS A 79 6.473 -2.892 -4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.816 -3.615 -3.562 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.646 -2.139 -3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.531 -3.518 -6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.973 0.266 -7.258 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.350 -1.617 -7.879 1.00 0.00 H new ATOM 1314 N PHE A 80 7.932 -3.627 -2.918 1.00 0.00 N ATOM 1315 CA PHE A 80 8.722 -3.836 -1.671 1.00 0.00 C ATOM 1316 C PHE A 80 8.857 -2.502 -0.936 1.00 0.00 C ATOM 1317 O PHE A 80 9.434 -1.564 -1.445 1.00 0.00 O ATOM 1318 CB PHE A 80 10.125 -4.359 -2.014 1.00 0.00 C ATOM 1319 CG PHE A 80 10.130 -4.999 -3.383 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.506 -6.236 -3.580 1.00 0.00 C ATOM 1321 CD2 PHE A 80 10.763 -4.353 -4.453 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.514 -6.830 -4.850 1.00 0.00 C ATOM 1323 CE2 PHE A 80 10.772 -4.946 -5.722 1.00 0.00 C ATOM 1324 CZ PHE A 80 10.147 -6.185 -5.920 1.00 0.00 C ATOM 0 H PHE A 80 8.478 -3.372 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 80 8.210 -4.565 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.842 -3.539 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.442 -5.085 -1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.019 -6.733 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 80 11.244 -3.398 -4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.032 -7.784 -5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.260 -4.449 -6.547 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.154 -6.643 -6.898 1.00 0.00 H new ATOM 1334 N PHE A 81 8.334 -2.402 0.256 1.00 0.00 N ATOM 1335 CA PHE A 81 8.450 -1.113 0.996 1.00 0.00 C ATOM 1336 C PHE A 81 8.836 -1.390 2.453 1.00 0.00 C ATOM 1337 O PHE A 81 8.716 -2.498 2.937 1.00 0.00 O ATOM 1338 CB PHE A 81 7.118 -0.331 0.865 1.00 0.00 C ATOM 1339 CG PHE A 81 6.286 -0.320 2.139 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.165 -1.463 2.943 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.610 0.853 2.495 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.376 -1.427 4.102 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.822 0.889 3.650 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.705 -0.248 4.454 1.00 0.00 C ATOM 0 H PHE A 81 7.837 -3.147 0.745 1.00 0.00 H new ATOM 0 HA PHE A 81 9.238 -0.491 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.338 0.697 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.528 -0.769 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.680 -2.372 2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.697 1.733 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.286 -2.306 4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.303 1.797 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.098 -0.218 5.346 1.00 0.00 H new ATOM 1354 N GLN A 82 9.316 -0.401 3.152 1.00 0.00 N ATOM 1355 CA GLN A 82 9.716 -0.624 4.568 1.00 0.00 C ATOM 1356 C GLN A 82 9.037 0.419 5.454 1.00 0.00 C ATOM 1357 O GLN A 82 9.064 1.601 5.171 1.00 0.00 O ATOM 1358 CB GLN A 82 11.236 -0.495 4.698 1.00 0.00 C ATOM 1359 CG GLN A 82 11.634 -0.596 6.172 1.00 0.00 C ATOM 1360 CD GLN A 82 13.095 -0.170 6.332 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.926 -0.491 5.507 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.444 0.543 7.367 1.00 0.00 N ATOM 0 H GLN A 82 9.448 0.549 2.806 1.00 0.00 H new ATOM 0 HA GLN A 82 9.411 -1.623 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.728 -1.279 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.567 0.458 4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.989 0.040 6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.500 -1.618 6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.745 0.812 8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.415 0.831 7.484 1.00 0.00 H new ATOM 1371 N ALA A 83 8.425 -0.011 6.523 1.00 0.00 N ATOM 1372 CA ALA A 83 7.736 0.955 7.424 1.00 0.00 C ATOM 1373 C ALA A 83 8.715 1.458 8.488 1.00 0.00 C ATOM 1374 O ALA A 83 9.909 1.250 8.397 1.00 0.00 O ATOM 1375 CB ALA A 83 6.556 0.260 8.107 1.00 0.00 C ATOM 0 H ALA A 83 8.372 -0.988 6.811 1.00 0.00 H new ATOM 0 HA ALA A 83 7.375 1.800 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.051 0.965 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.856 -0.095 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.920 -0.586 8.690 1.00 0.00 H new ATOM 1381 N ALA A 84 8.217 2.127 9.491 1.00 0.00 N ATOM 1382 CA ALA A 84 9.113 2.653 10.560 1.00 0.00 C ATOM 1383 C ALA A 84 9.649 1.501 11.406 1.00 0.00 C ATOM 1384 O ALA A 84 10.691 0.941 11.129 1.00 0.00 O ATOM 1385 CB ALA A 84 8.325 3.617 11.452 1.00 0.00 C ATOM 0 H ALA A 84 7.226 2.333 9.617 1.00 0.00 H new ATOM 0 HA ALA A 84 9.951 3.177 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.977 4.004 12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.950 4.445 10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.486 3.089 11.906 1.00 0.00 H new ATOM 1391 N PHE A 85 8.943 1.150 12.437 1.00 0.00 N ATOM 1392 CA PHE A 85 9.400 0.038 13.320 1.00 0.00 C ATOM 1393 C PHE A 85 8.557 -1.204 13.051 1.00 0.00 C ATOM 1394 O PHE A 85 7.673 -1.201 12.220 1.00 0.00 O ATOM 1395 CB PHE A 85 9.264 0.434 14.799 1.00 0.00 C ATOM 1396 CG PHE A 85 8.368 1.643 14.943 1.00 0.00 C ATOM 1397 CD1 PHE A 85 8.879 2.924 14.694 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.029 1.484 15.323 1.00 0.00 C ATOM 1399 CE1 PHE A 85 8.051 4.047 14.825 1.00 0.00 C ATOM 1400 CE2 PHE A 85 6.201 2.606 15.455 1.00 0.00 C ATOM 1401 CZ PHE A 85 6.711 3.887 15.206 1.00 0.00 C ATOM 0 H PHE A 85 8.063 1.585 12.712 1.00 0.00 H new ATOM 0 HA PHE A 85 10.448 -0.171 13.106 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.854 -0.400 15.369 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.248 0.651 15.215 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.911 3.046 14.401 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.635 0.497 15.514 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.444 5.034 14.633 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.169 2.484 15.749 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.072 4.752 15.308 1.00 0.00 H new ATOM 1411 N LEU A 86 8.834 -2.266 13.747 1.00 0.00 N ATOM 1412 CA LEU A 86 8.060 -3.522 13.542 1.00 0.00 C ATOM 1413 C LEU A 86 6.565 -3.242 13.734 1.00 0.00 C ATOM 1414 O LEU A 86 5.765 -3.462 12.851 1.00 0.00 O ATOM 1415 CB LEU A 86 8.533 -4.575 14.557 1.00 0.00 C ATOM 1416 CG LEU A 86 7.433 -5.617 14.795 1.00 0.00 C ATOM 1417 CD1 LEU A 86 8.066 -6.970 15.111 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.564 -5.178 15.975 1.00 0.00 C ATOM 0 H LEU A 86 9.567 -2.321 14.454 1.00 0.00 H new ATOM 0 HA LEU A 86 8.222 -3.895 12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.434 -5.065 14.189 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.795 -4.091 15.498 1.00 0.00 H new ATOM 0 HG LEU A 86 6.819 -5.704 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.282 -7.708 15.280 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.687 -7.286 14.273 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.681 -6.884 16.006 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.782 -5.917 16.146 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.182 -5.090 16.869 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.109 -4.213 15.752 1.00 0.00 H new ATOM 1430 N GLU A 87 6.180 -2.779 14.888 1.00 0.00 N ATOM 1431 CA GLU A 87 4.735 -2.511 15.138 1.00 0.00 C ATOM 1432 C GLU A 87 4.128 -1.727 13.969 1.00 0.00 C ATOM 1433 O GLU A 87 3.284 -2.222 13.250 1.00 0.00 O ATOM 1434 CB GLU A 87 4.585 -1.697 16.425 1.00 0.00 C ATOM 1435 CG GLU A 87 3.159 -1.846 16.959 1.00 0.00 C ATOM 1436 CD GLU A 87 2.237 -0.867 16.231 1.00 0.00 C ATOM 1437 OE1 GLU A 87 2.748 0.069 15.638 1.00 0.00 O ATOM 1438 OE2 GLU A 87 1.035 -1.070 16.278 1.00 0.00 O ATOM 0 H GLU A 87 6.802 -2.574 15.670 1.00 0.00 H new ATOM 0 HA GLU A 87 4.212 -3.462 15.236 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.302 -2.040 17.171 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.805 -0.647 16.232 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.810 -2.868 16.813 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.139 -1.652 18.031 1.00 0.00 H new ATOM 1445 N GLU A 88 4.543 -0.504 13.784 1.00 0.00 N ATOM 1446 CA GLU A 88 3.983 0.322 12.674 1.00 0.00 C ATOM 1447 C GLU A 88 4.084 -0.433 11.345 1.00 0.00 C ATOM 1448 O GLU A 88 3.315 -0.204 10.433 1.00 0.00 O ATOM 1449 CB GLU A 88 4.766 1.633 12.577 1.00 0.00 C ATOM 1450 CG GLU A 88 4.197 2.488 11.442 1.00 0.00 C ATOM 1451 CD GLU A 88 4.628 3.944 11.633 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.543 4.172 12.407 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.034 4.804 11.005 1.00 0.00 O ATOM 0 H GLU A 88 5.248 -0.038 14.355 1.00 0.00 H new ATOM 0 HA GLU A 88 2.933 0.531 12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.705 2.176 13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.821 1.426 12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.551 2.116 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.109 2.418 11.430 1.00 0.00 H new ATOM 1460 N ARG A 89 5.026 -1.326 11.222 1.00 0.00 N ATOM 1461 CA ARG A 89 5.168 -2.083 9.943 1.00 0.00 C ATOM 1462 C ARG A 89 3.972 -3.024 9.764 1.00 0.00 C ATOM 1463 O ARG A 89 3.198 -2.887 8.837 1.00 0.00 O ATOM 1464 CB ARG A 89 6.467 -2.896 9.972 1.00 0.00 C ATOM 1465 CG ARG A 89 6.449 -3.939 8.850 1.00 0.00 C ATOM 1466 CD ARG A 89 6.233 -5.330 9.450 1.00 0.00 C ATOM 1467 NE ARG A 89 6.631 -6.367 8.459 1.00 0.00 N ATOM 1468 CZ ARG A 89 5.796 -7.316 8.137 1.00 0.00 C ATOM 1469 NH1 ARG A 89 4.901 -7.716 8.998 1.00 0.00 N ATOM 1470 NH2 ARG A 89 5.854 -7.863 6.954 1.00 0.00 N ATOM 0 H ARG A 89 5.702 -1.565 11.947 1.00 0.00 H new ATOM 0 HA ARG A 89 5.199 -1.382 9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.324 -2.234 9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.577 -3.389 10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.655 -3.710 8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.388 -3.911 8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.820 -5.439 10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.187 -5.459 9.727 1.00 0.00 H new ATOM 0 HE ARG A 89 7.557 -6.335 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.855 -7.287 9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.248 -8.458 8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.553 -7.549 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.201 -8.605 6.703 1.00 0.00 H new ATOM 1484 N ASP A 90 3.817 -3.979 10.638 1.00 0.00 N ATOM 1485 CA ASP A 90 2.673 -4.926 10.511 1.00 0.00 C ATOM 1486 C ASP A 90 1.363 -4.139 10.470 1.00 0.00 C ATOM 1487 O ASP A 90 0.389 -4.571 9.888 1.00 0.00 O ATOM 1488 CB ASP A 90 2.660 -5.878 11.709 1.00 0.00 C ATOM 1489 CG ASP A 90 2.567 -5.071 13.004 1.00 0.00 C ATOM 1490 OD1 ASP A 90 1.458 -4.760 13.406 1.00 0.00 O ATOM 1491 OD2 ASP A 90 3.606 -4.776 13.571 1.00 0.00 O ATOM 0 H ASP A 90 4.432 -4.145 11.434 1.00 0.00 H new ATOM 0 HA ASP A 90 2.780 -5.503 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.815 -6.562 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.564 -6.487 11.712 1.00 0.00 H new ATOM 1496 N ALA A 91 1.333 -2.984 11.074 1.00 0.00 N ATOM 1497 CA ALA A 91 0.087 -2.166 11.060 1.00 0.00 C ATOM 1498 C ALA A 91 -0.112 -1.587 9.657 1.00 0.00 C ATOM 1499 O ALA A 91 -1.219 -1.454 9.173 1.00 0.00 O ATOM 1500 CB ALA A 91 0.218 -1.022 12.067 1.00 0.00 C ATOM 0 H ALA A 91 2.118 -2.570 11.577 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.767 -2.789 11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.693 -0.423 12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.373 -1.432 13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.068 -0.395 11.797 1.00 0.00 H new ATOM 1506 N TRP A 92 0.964 -1.239 9.008 1.00 0.00 N ATOM 1507 CA TRP A 92 0.871 -0.657 7.640 1.00 0.00 C ATOM 1508 C TRP A 92 0.434 -1.726 6.635 1.00 0.00 C ATOM 1509 O TRP A 92 -0.356 -1.469 5.748 1.00 0.00 O ATOM 1510 CB TRP A 92 2.248 -0.134 7.231 1.00 0.00 C ATOM 1511 CG TRP A 92 2.201 1.349 7.073 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.690 2.240 7.967 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.655 2.130 5.972 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.478 3.518 7.484 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.843 3.502 6.258 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.019 1.782 4.764 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.416 4.496 5.376 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.588 2.780 3.874 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.787 4.134 4.180 1.00 0.00 C ATOM 0 H TRP A 92 1.913 -1.334 9.370 1.00 0.00 H new ATOM 0 HA TRP A 92 0.139 0.150 7.646 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.988 -0.405 7.984 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.560 -0.599 6.296 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.167 1.993 8.904 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.757 4.368 7.973 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.862 0.742 4.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.570 5.538 5.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.101 2.503 2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.455 4.897 3.492 1.00 0.00 H new ATOM 1530 N VAL A 93 0.960 -2.915 6.746 1.00 0.00 N ATOM 1531 CA VAL A 93 0.592 -3.983 5.773 1.00 0.00 C ATOM 1532 C VAL A 93 -0.792 -4.558 6.085 1.00 0.00 C ATOM 1533 O VAL A 93 -1.528 -4.923 5.191 1.00 0.00 O ATOM 1534 CB VAL A 93 1.633 -5.098 5.814 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.436 -5.954 7.065 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.459 -5.963 4.573 1.00 0.00 C ATOM 0 H VAL A 93 1.627 -3.193 7.466 1.00 0.00 H new ATOM 0 HA VAL A 93 0.564 -3.543 4.776 1.00 0.00 H new ATOM 0 HB VAL A 93 2.634 -4.668 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.184 -6.747 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.544 -5.331 7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.439 -6.395 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.195 -6.767 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.456 -6.389 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.601 -5.353 3.681 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.160 -4.652 7.332 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.503 -5.212 7.652 1.00 0.00 C ATOM 1548 C ARG A 94 -3.580 -4.204 7.251 1.00 0.00 C ATOM 1549 O ARG A 94 -4.715 -4.560 7.007 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.604 -5.510 9.150 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.557 -4.204 9.938 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.631 -4.226 11.026 1.00 0.00 C ATOM 1553 NE ARG A 94 -4.978 -4.116 10.396 1.00 0.00 N ATOM 1554 CZ ARG A 94 -5.955 -3.546 11.044 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -5.813 -2.332 11.503 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -7.075 -4.188 11.234 1.00 0.00 N ATOM 0 H ARG A 94 -0.598 -4.369 8.135 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.647 -6.140 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.531 -6.042 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.786 -6.161 9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.572 -4.073 10.387 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.718 -3.358 9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.561 -5.149 11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.475 -3.402 11.723 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.135 -4.486 9.459 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.938 -1.830 11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.577 -1.886 12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.186 -5.136 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.839 -3.741 11.741 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.235 -2.947 7.174 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.245 -1.926 6.780 1.00 0.00 C ATOM 1572 C ASP A 95 -4.370 -1.894 5.255 1.00 0.00 C ATOM 1573 O ASP A 95 -5.451 -1.762 4.715 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.811 -0.550 7.287 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.822 -0.048 8.319 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.884 0.395 7.911 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.519 -0.116 9.498 1.00 0.00 O ATOM 0 H ASP A 95 -2.301 -2.585 7.366 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.209 -2.183 7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.818 -0.611 7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.744 0.152 6.456 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.275 -2.016 4.552 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.345 -1.995 3.063 1.00 0.00 C ATOM 1584 C ILE A 96 -4.021 -3.278 2.573 1.00 0.00 C ATOM 1585 O ILE A 96 -4.785 -3.268 1.627 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.930 -1.901 2.483 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.379 -0.490 2.718 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.975 -2.191 0.981 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.139 -0.260 1.848 1.00 0.00 C ATOM 0 H ILE A 96 -2.340 -2.129 4.943 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.923 -1.131 2.735 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.284 -2.630 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.142 0.251 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.124 -0.361 3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.969 -2.124 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.370 -3.193 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.619 -1.462 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.246 0.745 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.627 -0.991 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.406 -0.370 0.797 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.752 -4.382 3.215 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.384 -5.664 2.792 1.00 0.00 C ATOM 1603 C ASN A 97 -5.803 -5.732 3.355 1.00 0.00 C ATOM 1604 O ASN A 97 -6.671 -6.375 2.798 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.565 -6.840 3.327 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.224 -7.791 2.178 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -2.968 -7.357 1.072 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.211 -9.078 2.392 1.00 0.00 N ATOM 0 H ASN A 97 -3.122 -4.452 4.014 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.417 -5.715 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.650 -6.476 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.128 -7.369 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.986 -9.719 1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.426 -9.443 3.320 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.050 -5.069 4.452 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.418 -5.092 5.041 1.00 0.00 C ATOM 1617 C LYS A 98 -8.385 -4.407 4.076 1.00 0.00 C ATOM 1618 O LYS A 98 -9.465 -4.896 3.810 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.413 -4.346 6.378 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.841 -4.265 6.923 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.039 -5.336 7.998 1.00 0.00 C ATOM 1622 CE LYS A 98 -10.506 -5.771 8.021 1.00 0.00 C ATOM 1623 NZ LYS A 98 -10.780 -6.661 6.858 1.00 0.00 N ATOM 0 H LYS A 98 -5.365 -4.514 4.964 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.731 -6.123 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.769 -4.860 7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.005 -3.344 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.026 -3.276 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.559 -4.409 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.398 -6.193 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.749 -4.945 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.727 -6.293 8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.156 -4.897 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.639 -7.218 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.918 -6.084 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.975 -7.303 6.715 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.000 -3.280 3.542 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.891 -2.565 2.586 1.00 0.00 C ATOM 1639 C ALA A 99 -8.937 -3.340 1.268 1.00 0.00 C ATOM 1640 O ALA A 99 -9.955 -3.402 0.610 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.345 -1.159 2.332 1.00 0.00 C ATOM 0 H ALA A 99 -7.107 -2.824 3.727 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.895 -2.492 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.997 -0.636 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.306 -0.609 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.342 -1.229 1.910 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.841 -3.932 0.882 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.820 -4.708 -0.390 1.00 0.00 C ATOM 1649 C ILE A 100 -8.597 -6.010 -0.199 1.00 0.00 C ATOM 1650 O ILE A 100 -9.019 -6.638 -1.149 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.372 -5.025 -0.768 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.689 -3.754 -1.278 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.348 -6.090 -1.867 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.172 -3.924 -1.196 1.00 0.00 C ATOM 0 H ILE A 100 -6.958 -3.912 1.393 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.281 -4.122 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.843 -5.398 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.988 -3.555 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.002 -2.896 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.315 -6.314 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.834 -6.996 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.878 -5.719 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.684 -3.019 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.881 -4.102 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.867 -4.772 -1.810 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.789 -6.421 1.024 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.539 -7.683 1.278 1.00 0.00 C ATOM 1668 C LYS A 101 -11.021 -7.364 1.480 1.00 0.00 C ATOM 1669 O LYS A 101 -11.871 -8.230 1.409 1.00 0.00 O ATOM 1670 CB LYS A 101 -8.984 -8.361 2.532 1.00 0.00 C ATOM 1671 CG LYS A 101 -9.423 -9.827 2.561 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.210 -10.727 2.314 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.643 -11.201 3.653 1.00 0.00 C ATOM 1674 NZ LYS A 101 -7.698 -12.689 3.719 1.00 0.00 N ATOM 0 H LYS A 101 -8.459 -5.937 1.859 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.427 -8.352 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.896 -8.297 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.341 -7.846 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.875 -10.064 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.183 -10.005 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.498 -11.584 1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.448 -10.182 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.614 -10.859 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.214 -10.769 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.312 -13.011 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.685 -13.004 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.135 -13.092 2.943 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.333 -6.127 1.727 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.758 -5.741 1.933 1.00 0.00 C ATOM 1690 C CYS A 102 -13.344 -5.230 0.615 1.00 0.00 C ATOM 1691 O CYS A 102 -14.525 -5.353 0.360 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.842 -4.638 2.991 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.522 -5.323 4.523 1.00 0.00 S ATOM 0 H CYS A 102 -10.663 -5.361 1.796 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.324 -6.610 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.853 -4.219 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -13.471 -3.823 2.633 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.592 -4.388 5.423 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.525 -4.659 -0.225 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.029 -4.140 -1.527 1.00 0.00 C ATOM 1701 C ILE A 103 -13.372 -5.320 -2.442 1.00 0.00 C ATOM 1702 O ILE A 103 -14.206 -5.214 -3.319 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.946 -3.266 -2.177 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -11.962 -1.876 -1.533 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.210 -3.129 -3.679 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.245 -1.142 -1.928 1.00 0.00 C ATOM 0 H ILE A 103 -11.526 -4.529 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.924 -3.539 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.973 -3.735 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.902 -1.966 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.091 -1.305 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.436 -2.507 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.198 -4.116 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.184 -2.666 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.255 -0.153 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.286 -1.039 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.110 -1.710 -1.584 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.739 -6.446 -2.243 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.040 -7.626 -3.104 1.00 0.00 C ATOM 1720 C GLU A 104 -14.547 -7.863 -3.111 1.00 0.00 C ATOM 1721 O GLU A 104 -15.096 -8.460 -4.016 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.326 -8.861 -2.554 1.00 0.00 C ATOM 1723 CG GLU A 104 -10.830 -8.571 -2.424 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.097 -9.845 -2.001 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -10.702 -10.902 -2.065 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -8.943 -9.741 -1.618 1.00 0.00 O ATOM 0 H GLU A 104 -12.030 -6.599 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.692 -7.439 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.740 -9.131 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.486 -9.712 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.435 -8.210 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.664 -7.783 -1.690 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.214 -7.381 -2.108 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.691 -7.547 -2.030 1.00 0.00 C ATOM 1735 C GLY A 105 -17.330 -6.169 -1.907 1.00 0.00 C ATOM 1736 O GLY A 105 -17.399 -5.414 -2.857 1.00 0.00 O ATOM 0 H GLY A 105 -14.797 -6.873 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.062 -8.058 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.957 -8.165 -1.173 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.782 -5.829 -0.738 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.403 -4.490 -0.541 1.00 0.00 C ATOM 1742 C LEU A 106 -19.407 -4.222 -1.660 1.00 0.00 C ATOM 1743 O LEU A 106 -19.228 -3.339 -2.475 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.308 -3.427 -0.578 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.691 -2.258 0.329 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -19.109 -1.791 -0.008 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.638 -2.707 1.791 1.00 0.00 C ATOM 0 H LEU A 106 -17.750 -6.419 0.093 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.918 -4.460 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.360 -3.856 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.164 -3.075 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.991 -1.436 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -19.381 -0.957 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -19.149 -1.470 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.809 -2.613 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.911 -1.873 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.337 -3.529 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.628 -3.039 2.033 1.00 0.00 H new