USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 849 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 57 HIS : no HD1:sc= -2.45! C(o=-2.7!,f=-4.5!) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.249 K(o=-2.7,f=-4.1) USER MOD Set 2.1: A 14 GLN : amide:sc= -0.0237 K(o=-0.024,f=-0.75) USER MOD Set 2.2: A 33 SER OG : rot 160:sc= 0 USER MOD Single : A 4 THR OG1 : rot -16:sc= 0.588 USER MOD Single : A 6 LYS NZ :NH3+ 128:sc= -0.367 (180deg=-1.85!) USER MOD Single : A 8 THR OG1 : rot 41:sc= 0.845 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.03 K(o=-2,f=-3.5!) USER MOD Single : A 16 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.53) USER MOD Single : A 31 GLN : amide:sc=-0.00679 X(o=-0.0068,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -160:sc= -1.18 USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 0.508 (180deg=0.314) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 THR OG1 : rot -46:sc= 0.779 USER MOD Single : A 79 GLN : amide:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0691 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= 0.104 (180deg=0.0433) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.037) USER MOD Single : A 103 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-4.8!) USER MOD Single : A 106 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.12) USER MOD Single : A 109 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.52) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -0.0922 K(o=-0.092,f=-0.78) USER MOD Single : A 119 GLN : amide:sc= -0.0969 K(o=-0.097,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 9.745 21.404 3.464 1.00 0.00 N ATOM 47 CA THR A 4 9.472 20.290 4.369 1.00 0.00 C ATOM 48 C THR A 4 8.936 19.094 3.594 1.00 0.00 C ATOM 49 O THR A 4 8.068 19.244 2.729 1.00 0.00 O ATOM 50 CB THR A 4 8.464 20.707 5.451 1.00 0.00 C ATOM 51 OG1 THR A 4 7.609 21.738 4.983 1.00 0.00 O ATOM 52 CG2 THR A 4 9.120 21.198 6.726 1.00 0.00 C ATOM 0 HA THR A 4 10.407 20.007 4.852 1.00 0.00 H new ATOM 0 HB THR A 4 7.899 19.802 5.675 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.996 22.144 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.351 21.476 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.740 20.406 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.741 22.066 6.505 1.00 0.00 H new ATOM 60 N VAL A 5 9.455 17.907 3.899 1.00 0.00 N ATOM 61 CA VAL A 5 9.024 16.691 3.220 1.00 0.00 C ATOM 62 C VAL A 5 8.675 15.590 4.218 1.00 0.00 C ATOM 63 O VAL A 5 9.526 15.148 4.993 1.00 0.00 O ATOM 64 CB VAL A 5 10.107 16.171 2.250 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.557 15.047 1.387 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.642 17.300 1.380 1.00 0.00 C ATOM 0 H VAL A 5 10.172 17.763 4.610 1.00 0.00 H new ATOM 0 HA VAL A 5 8.132 16.951 2.650 1.00 0.00 H new ATOM 0 HB VAL A 5 10.933 15.778 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.335 14.694 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.230 14.225 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.711 15.415 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.404 16.910 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.826 17.729 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.080 18.071 2.014 1.00 0.00 H new ATOM 76 N LYS A 6 7.416 15.149 4.186 1.00 0.00 N ATOM 77 CA LYS A 6 6.945 14.093 5.076 1.00 0.00 C ATOM 78 C LYS A 6 6.059 13.109 4.315 1.00 0.00 C ATOM 79 O LYS A 6 5.052 13.499 3.721 1.00 0.00 O ATOM 80 CB LYS A 6 6.178 14.689 6.259 1.00 0.00 C ATOM 81 CG LYS A 6 6.976 14.710 7.554 1.00 0.00 C ATOM 82 CD LYS A 6 6.330 15.609 8.597 1.00 0.00 C ATOM 83 CE LYS A 6 6.678 17.074 8.365 1.00 0.00 C ATOM 84 NZ LYS A 6 5.697 17.753 7.471 1.00 0.00 N ATOM 0 H LYS A 6 6.705 15.510 3.550 1.00 0.00 H new ATOM 0 HA LYS A 6 7.813 13.557 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.878 15.707 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.264 14.116 6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.058 13.697 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.989 15.057 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.248 15.482 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.660 15.309 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.713 17.593 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.674 17.144 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.357 18.624 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.156 17.991 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.893 17.118 7.293 1.00 0.00 H new ATOM 98 N ARG A 7 6.445 11.833 4.333 1.00 0.00 N ATOM 99 CA ARG A 7 5.693 10.786 3.641 1.00 0.00 C ATOM 100 C ARG A 7 5.513 9.558 4.528 1.00 0.00 C ATOM 101 O ARG A 7 6.162 9.425 5.568 1.00 0.00 O ATOM 102 CB ARG A 7 6.406 10.377 2.349 1.00 0.00 C ATOM 103 CG ARG A 7 6.412 11.457 1.279 1.00 0.00 C ATOM 104 CD ARG A 7 7.730 12.210 1.266 1.00 0.00 C ATOM 105 NE ARG A 7 7.964 12.885 -0.009 1.00 0.00 N ATOM 106 CZ ARG A 7 8.450 12.289 -1.096 1.00 0.00 C ATOM 107 NH1 ARG A 7 8.703 10.985 -1.097 1.00 0.00 N ATOM 108 NH2 ARG A 7 8.667 13.002 -2.196 1.00 0.00 N ATOM 0 H ARG A 7 7.276 11.499 4.821 1.00 0.00 H new ATOM 0 HA ARG A 7 4.711 11.192 3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.435 10.107 2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.926 9.485 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.238 11.006 0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.594 12.154 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.735 12.945 2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.546 11.515 1.463 1.00 0.00 H new ATOM 0 HE ARG A 7 7.740 13.878 -0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.525 10.430 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.075 10.538 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.461 14.001 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.039 12.550 -3.031 1.00 0.00 H new ATOM 122 N THR A 8 4.630 8.660 4.100 1.00 0.00 N ATOM 123 CA THR A 8 4.353 7.430 4.839 1.00 0.00 C ATOM 124 C THR A 8 3.443 6.513 4.026 1.00 0.00 C ATOM 125 O THR A 8 2.392 6.937 3.547 1.00 0.00 O ATOM 126 CB THR A 8 3.712 7.751 6.198 1.00 0.00 C ATOM 127 OG1 THR A 8 3.242 6.572 6.835 1.00 0.00 O ATOM 128 CG2 THR A 8 2.548 8.716 6.101 1.00 0.00 C ATOM 0 H THR A 8 4.091 8.761 3.240 1.00 0.00 H new ATOM 0 HA THR A 8 5.297 6.915 5.015 1.00 0.00 H new ATOM 0 HB THR A 8 4.506 8.219 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.897 5.853 6.716 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.143 8.899 7.096 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.890 9.657 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.772 8.288 5.466 1.00 0.00 H new ATOM 136 N ILE A 9 3.850 5.252 3.885 1.00 0.00 N ATOM 137 CA ILE A 9 3.066 4.275 3.140 1.00 0.00 C ATOM 138 C ILE A 9 2.449 3.249 4.087 1.00 0.00 C ATOM 139 O ILE A 9 3.161 2.519 4.780 1.00 0.00 O ATOM 140 CB ILE A 9 3.915 3.553 2.066 1.00 0.00 C ATOM 141 CG1 ILE A 9 3.032 2.624 1.227 1.00 0.00 C ATOM 142 CG2 ILE A 9 5.062 2.776 2.707 1.00 0.00 C ATOM 143 CD1 ILE A 9 3.229 2.785 -0.265 1.00 0.00 C ATOM 0 H ILE A 9 4.717 4.886 4.277 1.00 0.00 H new ATOM 0 HA ILE A 9 2.272 4.820 2.630 1.00 0.00 H new ATOM 0 HB ILE A 9 4.349 4.307 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.241 1.591 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.986 2.813 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.643 2.278 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.705 3.464 3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.658 2.031 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.572 2.096 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.992 3.809 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.266 2.567 -0.521 1.00 0.00 H new ATOM 155 N ARG A 10 1.121 3.201 4.110 1.00 0.00 N ATOM 156 CA ARG A 10 0.407 2.268 4.973 1.00 0.00 C ATOM 157 C ARG A 10 -0.616 1.464 4.178 1.00 0.00 C ATOM 158 O ARG A 10 -1.592 2.016 3.662 1.00 0.00 O ATOM 159 CB ARG A 10 -0.283 3.017 6.120 1.00 0.00 C ATOM 160 CG ARG A 10 -1.103 4.219 5.671 1.00 0.00 C ATOM 161 CD ARG A 10 -2.567 4.075 6.064 1.00 0.00 C ATOM 162 NE ARG A 10 -3.198 5.367 6.337 1.00 0.00 N ATOM 163 CZ ARG A 10 -4.447 5.503 6.791 1.00 0.00 C ATOM 164 NH1 ARG A 10 -5.208 4.434 7.006 1.00 0.00 N ATOM 165 NH2 ARG A 10 -4.937 6.715 7.026 1.00 0.00 N ATOM 0 H ARG A 10 0.519 3.796 3.542 1.00 0.00 H new ATOM 0 HA ARG A 10 1.135 1.575 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.935 2.324 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.474 3.351 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.694 5.126 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.025 4.330 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.108 3.571 5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.643 3.442 6.948 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.652 6.213 6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.839 3.501 6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.161 4.547 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.360 7.539 6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.890 6.821 7.373 1.00 0.00 H new ATOM 179 N ILE A 11 -0.387 0.155 4.080 1.00 0.00 N ATOM 180 CA ILE A 11 -1.288 -0.730 3.347 1.00 0.00 C ATOM 181 C ILE A 11 -1.889 -1.782 4.274 1.00 0.00 C ATOM 182 O ILE A 11 -1.166 -2.489 4.980 1.00 0.00 O ATOM 183 CB ILE A 11 -0.572 -1.431 2.169 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.678 -2.171 2.658 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.209 -0.421 1.089 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.722 -3.623 2.241 1.00 0.00 C ATOM 0 H ILE A 11 0.415 -0.315 4.499 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.085 -0.106 2.943 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.255 -2.164 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.564 -1.664 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.723 -2.112 3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.294 -0.931 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.116 0.057 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.455 0.336 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.634 -4.083 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.145 -4.145 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.709 -3.690 1.153 1.00 0.00 H new ATOM 198 N LYS A 12 -3.217 -1.874 4.273 1.00 0.00 N ATOM 199 CA LYS A 12 -3.924 -2.831 5.119 1.00 0.00 C ATOM 200 C LYS A 12 -4.564 -3.934 4.280 1.00 0.00 C ATOM 201 O LYS A 12 -5.490 -3.682 3.507 1.00 0.00 O ATOM 202 CB LYS A 12 -4.993 -2.110 5.946 1.00 0.00 C ATOM 203 CG LYS A 12 -4.829 -2.284 7.447 1.00 0.00 C ATOM 204 CD LYS A 12 -3.848 -1.273 8.025 1.00 0.00 C ATOM 205 CE LYS A 12 -4.355 0.156 7.877 1.00 0.00 C ATOM 206 NZ LYS A 12 -4.074 0.980 9.086 1.00 0.00 N ATOM 0 H LYS A 12 -3.826 -1.296 3.694 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.201 -3.292 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.967 -1.047 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.976 -2.478 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.797 -2.172 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.479 -3.294 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.680 -1.492 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.886 -1.371 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.887 0.618 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.429 0.141 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.436 1.944 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.542 0.555 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.048 1.017 9.250 1.00 0.00 H new ATOM 220 N THR A 13 -4.065 -5.159 4.445 1.00 0.00 N ATOM 221 CA THR A 13 -4.586 -6.308 3.714 1.00 0.00 C ATOM 222 C THR A 13 -5.128 -7.353 4.690 1.00 0.00 C ATOM 223 O THR A 13 -4.377 -8.169 5.227 1.00 0.00 O ATOM 224 CB THR A 13 -3.483 -6.912 2.834 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.985 -5.948 1.919 1.00 0.00 O ATOM 226 CG2 THR A 13 -3.937 -8.114 2.032 1.00 0.00 C ATOM 0 H THR A 13 -3.298 -5.379 5.081 1.00 0.00 H new ATOM 0 HA THR A 13 -5.404 -5.981 3.072 1.00 0.00 H new ATOM 0 HB THR A 13 -2.709 -7.236 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.282 -6.352 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.106 -8.488 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.277 -8.897 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.756 -7.824 1.374 1.00 0.00 H new ATOM 234 N GLN A 14 -6.439 -7.318 4.918 1.00 0.00 N ATOM 235 CA GLN A 14 -7.084 -8.256 5.834 1.00 0.00 C ATOM 236 C GLN A 14 -8.227 -8.994 5.148 1.00 0.00 C ATOM 237 O GLN A 14 -8.891 -8.446 4.267 1.00 0.00 O ATOM 238 CB GLN A 14 -7.602 -7.529 7.080 1.00 0.00 C ATOM 239 CG GLN A 14 -8.310 -6.214 6.783 1.00 0.00 C ATOM 240 CD GLN A 14 -9.393 -5.887 7.796 1.00 0.00 C ATOM 241 OE1 GLN A 14 -9.404 -6.418 8.908 1.00 0.00 O ATOM 242 NE2 GLN A 14 -10.314 -5.004 7.420 1.00 0.00 N ATOM 0 H GLN A 14 -7.075 -6.651 4.481 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.336 -8.987 6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.289 -8.187 7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.764 -7.335 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.577 -5.407 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.752 -6.261 5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.271 -4.586 6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.064 -4.745 8.061 1.00 0.00 H new ATOM 251 N GLN A 15 -8.449 -10.239 5.557 1.00 0.00 N ATOM 252 CA GLN A 15 -9.509 -11.060 4.984 1.00 0.00 C ATOM 253 C GLN A 15 -10.314 -11.757 6.079 1.00 0.00 C ATOM 254 O GLN A 15 -9.888 -11.813 7.233 1.00 0.00 O ATOM 255 CB GLN A 15 -8.901 -12.093 4.033 1.00 0.00 C ATOM 256 CG GLN A 15 -9.915 -12.742 3.104 1.00 0.00 C ATOM 257 CD GLN A 15 -9.280 -13.311 1.849 1.00 0.00 C ATOM 258 OE1 GLN A 15 -8.505 -12.636 1.170 1.00 0.00 O ATOM 259 NE2 GLN A 15 -9.609 -14.557 1.532 1.00 0.00 N ATOM 0 H GLN A 15 -7.907 -10.703 6.286 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.188 -10.413 4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.129 -11.611 3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.411 -12.870 4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.432 -13.539 3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.668 -12.005 2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.255 -15.080 2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.216 -14.992 0.697 1.00 0.00 H new ATOM 268 N HIS A 16 -11.479 -12.288 5.714 1.00 0.00 N ATOM 269 CA HIS A 16 -12.336 -12.984 6.669 1.00 0.00 C ATOM 270 C HIS A 16 -13.368 -13.825 5.933 1.00 0.00 C ATOM 271 O HIS A 16 -14.169 -13.298 5.163 1.00 0.00 O ATOM 272 CB HIS A 16 -13.038 -11.978 7.588 1.00 0.00 C ATOM 273 CG HIS A 16 -13.816 -12.608 8.706 1.00 0.00 C ATOM 274 ND1 HIS A 16 -14.676 -11.896 9.515 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.862 -13.889 9.148 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.215 -12.710 10.407 1.00 0.00 C ATOM 277 NE2 HIS A 16 -14.737 -13.924 10.205 1.00 0.00 N ATOM 0 H HIS A 16 -11.850 -12.249 4.765 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.715 -13.640 7.278 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.291 -11.307 8.013 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.713 -11.366 6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.312 -14.726 8.744 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.925 -12.429 11.171 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.979 -14.754 10.747 1.00 0.00 H new ATOM 286 N ILE A 17 -13.344 -15.135 6.163 1.00 0.00 N ATOM 287 CA ILE A 17 -14.285 -16.028 5.505 1.00 0.00 C ATOM 288 C ILE A 17 -15.512 -16.284 6.372 1.00 0.00 C ATOM 289 O ILE A 17 -15.396 -16.648 7.545 1.00 0.00 O ATOM 290 CB ILE A 17 -13.619 -17.364 5.101 1.00 0.00 C ATOM 291 CG1 ILE A 17 -14.347 -17.957 3.887 1.00 0.00 C ATOM 292 CG2 ILE A 17 -13.580 -18.349 6.269 1.00 0.00 C ATOM 293 CD1 ILE A 17 -15.353 -19.040 4.222 1.00 0.00 C ATOM 0 H ILE A 17 -12.689 -15.596 6.794 1.00 0.00 H new ATOM 0 HA ILE A 17 -14.612 -15.527 4.594 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.583 -17.167 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.860 -17.153 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.606 -18.367 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.105 -19.276 5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.011 -17.916 7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.596 -18.559 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.818 -19.401 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.846 -19.866 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.119 -18.633 4.882 1.00 0.00 H new ATOM 476 N VAL A 29 -18.090 -18.102 0.651 1.00 0.00 N ATOM 477 CA VAL A 29 -17.226 -17.096 0.036 1.00 0.00 C ATOM 478 C VAL A 29 -16.425 -16.343 1.098 1.00 0.00 C ATOM 479 O VAL A 29 -16.904 -16.134 2.213 1.00 0.00 O ATOM 480 CB VAL A 29 -18.048 -16.084 -0.794 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.136 -15.223 -1.656 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.080 -16.802 -1.656 1.00 0.00 C ATOM 0 HA VAL A 29 -16.539 -17.622 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.578 -15.431 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.737 -14.519 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.444 -14.673 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.572 -15.860 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.647 -16.070 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.573 -17.485 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.760 -17.365 -1.017 1.00 0.00 H new ATOM 492 N ARG A 30 -15.206 -15.933 0.742 1.00 0.00 N ATOM 493 CA ARG A 30 -14.345 -15.197 1.669 1.00 0.00 C ATOM 494 C ARG A 30 -14.514 -13.692 1.484 1.00 0.00 C ATOM 495 O ARG A 30 -14.903 -13.233 0.413 1.00 0.00 O ATOM 496 CB ARG A 30 -12.872 -15.580 1.475 1.00 0.00 C ATOM 497 CG ARG A 30 -12.643 -17.057 1.174 1.00 0.00 C ATOM 498 CD ARG A 30 -12.102 -17.269 -0.234 1.00 0.00 C ATOM 499 NE ARG A 30 -11.203 -18.421 -0.314 1.00 0.00 N ATOM 500 CZ ARG A 30 -11.611 -19.695 -0.279 1.00 0.00 C ATOM 501 NH1 ARG A 30 -12.902 -19.988 -0.133 1.00 0.00 N ATOM 502 NH2 ARG A 30 -10.723 -20.678 -0.386 1.00 0.00 N ATOM 0 H ARG A 30 -14.795 -16.097 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.645 -15.466 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.459 -14.987 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.318 -15.314 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.943 -17.472 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.580 -17.601 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.934 -17.411 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.571 -16.373 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.203 -18.242 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.588 -19.239 -0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.204 -20.962 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.732 -20.461 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.032 -21.650 -0.360 1.00 0.00 H new ATOM 516 N GLN A 31 -14.220 -12.932 2.534 1.00 0.00 N ATOM 517 CA GLN A 31 -14.340 -11.473 2.486 1.00 0.00 C ATOM 518 C GLN A 31 -12.981 -10.813 2.694 1.00 0.00 C ATOM 519 O GLN A 31 -12.446 -10.805 3.802 1.00 0.00 O ATOM 520 CB GLN A 31 -15.331 -10.984 3.544 1.00 0.00 C ATOM 521 CG GLN A 31 -16.624 -10.431 2.963 1.00 0.00 C ATOM 522 CD GLN A 31 -17.541 -9.838 4.022 1.00 0.00 C ATOM 523 OE1 GLN A 31 -18.675 -10.284 4.193 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.055 -8.827 4.735 1.00 0.00 N ATOM 0 H GLN A 31 -13.897 -13.299 3.429 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.713 -11.194 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.569 -11.809 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.854 -10.211 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.387 -9.665 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.151 -11.228 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.109 -8.488 4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.628 -8.390 5.457 1.00 0.00 H new ATOM 533 N TRP A 32 -12.424 -10.267 1.617 1.00 0.00 N ATOM 534 CA TRP A 32 -11.118 -9.607 1.671 1.00 0.00 C ATOM 535 C TRP A 32 -11.256 -8.088 1.720 1.00 0.00 C ATOM 536 O TRP A 32 -12.283 -7.530 1.328 1.00 0.00 O ATOM 537 CB TRP A 32 -10.262 -10.015 0.468 1.00 0.00 C ATOM 538 CG TRP A 32 -10.903 -9.722 -0.856 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.559 -10.608 -1.663 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.950 -8.458 -1.529 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.013 -9.972 -2.793 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.651 -8.652 -2.736 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.468 -7.180 -1.231 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -11.880 -7.618 -3.638 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.698 -6.154 -2.127 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.400 -6.378 -3.319 1.00 0.00 C ATOM 0 H TRP A 32 -12.856 -10.267 0.693 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.626 -9.930 2.589 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.305 -9.495 0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.049 -11.082 0.530 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.700 -11.656 -1.444 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.535 -10.411 -3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.925 -6.998 -0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.418 -7.789 -4.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.331 -5.163 -1.905 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.565 -5.555 -3.999 1.00 0.00 H new ATOM 557 N SER A 33 -10.205 -7.426 2.201 1.00 0.00 N ATOM 558 CA SER A 33 -10.182 -5.970 2.308 1.00 0.00 C ATOM 559 C SER A 33 -8.775 -5.435 2.031 1.00 0.00 C ATOM 560 O SER A 33 -7.831 -5.751 2.760 1.00 0.00 O ATOM 561 CB SER A 33 -10.652 -5.542 3.703 1.00 0.00 C ATOM 562 OG SER A 33 -10.394 -4.167 3.936 1.00 0.00 O ATOM 0 H SER A 33 -9.352 -7.881 2.525 1.00 0.00 H new ATOM 0 HA SER A 33 -10.860 -5.552 1.564 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.720 -5.736 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.146 -6.142 4.459 1.00 0.00 H new ATOM 0 HG SER A 33 -10.967 -3.845 4.663 1.00 0.00 H new ATOM 568 N ILE A 34 -8.641 -4.630 0.975 1.00 0.00 N ATOM 569 CA ILE A 34 -7.344 -4.062 0.602 1.00 0.00 C ATOM 570 C ILE A 34 -7.390 -2.535 0.557 1.00 0.00 C ATOM 571 O ILE A 34 -8.352 -1.948 0.056 1.00 0.00 O ATOM 572 CB ILE A 34 -6.865 -4.576 -0.773 1.00 0.00 C ATOM 573 CG1 ILE A 34 -7.077 -6.088 -0.901 1.00 0.00 C ATOM 574 CG2 ILE A 34 -5.400 -4.221 -0.988 1.00 0.00 C ATOM 575 CD1 ILE A 34 -6.383 -6.898 0.174 1.00 0.00 C ATOM 0 H ILE A 34 -9.412 -4.357 0.365 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.643 -4.384 1.372 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.460 -4.088 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.146 -6.299 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.717 -6.414 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.075 -4.589 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.279 -3.138 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.796 -4.681 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.580 -7.958 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.309 -6.718 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.759 -6.602 1.153 1.00 0.00 H new ATOM 587 N GLU A 35 -6.333 -1.899 1.064 1.00 0.00 N ATOM 588 CA GLU A 35 -6.236 -0.443 1.066 1.00 0.00 C ATOM 589 C GLU A 35 -4.778 0.006 0.935 1.00 0.00 C ATOM 590 O GLU A 35 -3.912 -0.438 1.690 1.00 0.00 O ATOM 591 CB GLU A 35 -6.859 0.146 2.339 1.00 0.00 C ATOM 592 CG GLU A 35 -6.153 -0.259 3.623 1.00 0.00 C ATOM 593 CD GLU A 35 -6.796 0.335 4.863 1.00 0.00 C ATOM 594 OE1 GLU A 35 -7.857 -0.173 5.283 1.00 0.00 O ATOM 595 OE2 GLU A 35 -6.239 1.308 5.414 1.00 0.00 O ATOM 0 H GLU A 35 -5.531 -2.373 1.479 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.792 -0.071 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.855 1.233 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.902 -0.165 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.154 -1.346 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.111 0.056 3.574 1.00 0.00 H new ATOM 602 N ILE A 36 -4.520 0.886 -0.030 1.00 0.00 N ATOM 603 CA ILE A 36 -3.176 1.403 -0.271 1.00 0.00 C ATOM 604 C ILE A 36 -3.151 2.923 -0.094 1.00 0.00 C ATOM 605 O ILE A 36 -3.668 3.657 -0.937 1.00 0.00 O ATOM 606 CB ILE A 36 -2.682 1.045 -1.695 1.00 0.00 C ATOM 607 CG1 ILE A 36 -3.085 -0.389 -2.066 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.173 1.216 -1.799 1.00 0.00 C ATOM 609 CD1 ILE A 36 -2.836 -0.732 -3.519 1.00 0.00 C ATOM 0 H ILE A 36 -5.230 1.258 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.510 0.939 0.456 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.156 1.728 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.533 -1.087 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.143 -0.529 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.846 0.960 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.909 2.251 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.682 0.560 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.144 -1.760 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.410 -0.058 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.774 -0.625 -3.741 1.00 0.00 H new ATOM 621 N VAL A 37 -2.563 3.387 1.009 1.00 0.00 N ATOM 622 CA VAL A 37 -2.494 4.823 1.296 1.00 0.00 C ATOM 623 C VAL A 37 -1.047 5.316 1.362 1.00 0.00 C ATOM 624 O VAL A 37 -0.140 4.566 1.730 1.00 0.00 O ATOM 625 CB VAL A 37 -3.204 5.160 2.624 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.304 6.667 2.821 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.584 4.521 2.678 1.00 0.00 C ATOM 0 H VAL A 37 -2.129 2.794 1.716 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.002 5.331 0.476 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.605 4.750 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.808 6.878 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.303 7.099 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.872 7.104 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.065 4.773 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.190 4.894 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.487 3.438 2.597 1.00 0.00 H new ATOM 637 N LEU A 38 -0.845 6.589 1.002 1.00 0.00 N ATOM 638 CA LEU A 38 0.486 7.195 1.011 1.00 0.00 C ATOM 639 C LEU A 38 0.404 8.720 0.873 1.00 0.00 C ATOM 640 O LEU A 38 -0.496 9.241 0.213 1.00 0.00 O ATOM 641 CB LEU A 38 1.333 6.616 -0.127 1.00 0.00 C ATOM 642 CG LEU A 38 0.600 6.453 -1.467 1.00 0.00 C ATOM 643 CD1 LEU A 38 0.756 7.702 -2.324 1.00 0.00 C ATOM 644 CD2 LEU A 38 1.110 5.223 -2.206 1.00 0.00 C ATOM 0 H LEU A 38 -1.589 7.218 0.701 1.00 0.00 H new ATOM 0 HA LEU A 38 0.955 6.964 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.198 7.261 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.713 5.642 0.183 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.462 6.315 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.229 7.564 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.338 8.559 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.813 7.878 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.580 5.122 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.178 5.330 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.937 4.335 -1.597 1.00 0.00 H new ATOM 656 N LEU A 39 1.357 9.428 1.489 1.00 0.00 N ATOM 657 CA LEU A 39 1.399 10.892 1.420 1.00 0.00 C ATOM 658 C LEU A 39 1.946 11.345 0.064 1.00 0.00 C ATOM 659 O LEU A 39 2.567 10.558 -0.651 1.00 0.00 O ATOM 660 CB LEU A 39 2.258 11.466 2.552 1.00 0.00 C ATOM 661 CG LEU A 39 1.480 11.964 3.773 1.00 0.00 C ATOM 662 CD1 LEU A 39 2.431 12.532 4.818 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.453 13.009 3.360 1.00 0.00 C ATOM 0 H LEU A 39 2.108 9.012 2.040 1.00 0.00 H new ATOM 0 HA LEU A 39 0.382 11.267 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.961 10.699 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.848 12.292 2.155 1.00 0.00 H new ATOM 0 HG LEU A 39 0.952 11.118 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.860 12.881 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.128 11.756 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.987 13.366 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.091 13.352 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.961 13.854 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.247 12.570 2.649 1.00 0.00 H new ATOM 675 N ASP A 40 1.718 12.616 -0.283 1.00 0.00 N ATOM 676 CA ASP A 40 2.187 13.161 -1.555 1.00 0.00 C ATOM 677 C ASP A 40 2.095 14.688 -1.547 1.00 0.00 C ATOM 678 O ASP A 40 3.101 15.385 -1.700 1.00 0.00 O ATOM 679 CB ASP A 40 1.360 12.594 -2.722 1.00 0.00 C ATOM 680 CG ASP A 40 2.003 11.394 -3.408 1.00 0.00 C ATOM 681 OD1 ASP A 40 3.195 11.116 -3.160 1.00 0.00 O ATOM 682 OD2 ASP A 40 1.305 10.730 -4.203 1.00 0.00 O ATOM 0 H ASP A 40 1.212 13.283 0.300 1.00 0.00 H new ATOM 0 HA ASP A 40 3.229 12.870 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.377 12.304 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.203 13.381 -3.460 1.00 0.00 H new ATOM 687 N ASP A 41 0.875 15.200 -1.355 1.00 0.00 N ATOM 688 CA ASP A 41 0.632 16.644 -1.315 1.00 0.00 C ATOM 689 C ASP A 41 1.446 17.314 -0.208 1.00 0.00 C ATOM 690 O ASP A 41 1.844 18.473 -0.331 1.00 0.00 O ATOM 691 CB ASP A 41 -0.860 16.931 -1.102 1.00 0.00 C ATOM 692 CG ASP A 41 -1.641 16.965 -2.402 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.259 17.737 -3.307 1.00 0.00 O ATOM 694 OD2 ASP A 41 -2.637 16.218 -2.515 1.00 0.00 O ATOM 0 H ASP A 41 0.038 14.632 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 41 0.946 17.057 -2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.283 16.168 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.973 17.887 -0.590 1.00 0.00 H new ATOM 699 N GLU A 42 1.691 16.574 0.873 1.00 0.00 N ATOM 700 CA GLU A 42 2.457 17.094 1.999 1.00 0.00 C ATOM 701 C GLU A 42 3.941 16.765 1.846 1.00 0.00 C ATOM 702 O GLU A 42 4.800 17.512 2.315 1.00 0.00 O ATOM 703 CB GLU A 42 1.926 16.523 3.319 1.00 0.00 C ATOM 704 CG GLU A 42 0.410 16.578 3.446 1.00 0.00 C ATOM 705 CD GLU A 42 -0.045 16.671 4.889 1.00 0.00 C ATOM 706 OE1 GLU A 42 -0.131 17.801 5.411 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.315 15.613 5.498 1.00 0.00 O ATOM 0 H GLU A 42 1.369 15.613 0.990 1.00 0.00 H new ATOM 0 HA GLU A 42 2.343 18.178 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.252 15.487 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.371 17.074 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.033 17.438 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.023 15.689 2.988 1.00 0.00 H new ATOM 714 N GLY A 43 4.238 15.644 1.185 1.00 0.00 N ATOM 715 CA GLY A 43 5.617 15.248 0.985 1.00 0.00 C ATOM 716 C GLY A 43 6.178 15.729 -0.339 1.00 0.00 C ATOM 717 O GLY A 43 6.799 14.959 -1.068 1.00 0.00 O ATOM 0 H GLY A 43 3.547 15.008 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.226 15.644 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.689 14.161 1.032 1.00 0.00 H new ATOM 721 N LYS A 44 5.964 17.007 -0.643 1.00 0.00 N ATOM 722 CA LYS A 44 6.456 17.600 -1.884 1.00 0.00 C ATOM 723 C LYS A 44 5.931 16.842 -3.104 1.00 0.00 C ATOM 724 O LYS A 44 6.517 15.842 -3.527 1.00 0.00 O ATOM 725 CB LYS A 44 7.987 17.618 -1.892 1.00 0.00 C ATOM 726 CG LYS A 44 8.584 18.956 -1.483 1.00 0.00 C ATOM 727 CD LYS A 44 9.990 19.136 -2.038 1.00 0.00 C ATOM 728 CE LYS A 44 10.868 19.932 -1.083 1.00 0.00 C ATOM 729 NZ LYS A 44 11.311 21.230 -1.670 1.00 0.00 N ATOM 0 H LYS A 44 5.451 17.654 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 44 6.088 18.625 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.354 16.845 -1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.340 17.363 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.945 19.764 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.610 19.026 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.439 18.159 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.940 19.647 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.319 20.121 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.743 19.339 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.906 21.736 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.858 21.051 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.478 21.809 -1.900 1.00 0.00 H new ATOM 743 N GLU A 45 4.826 17.329 -3.668 1.00 0.00 N ATOM 744 CA GLU A 45 4.222 16.702 -4.845 1.00 0.00 C ATOM 745 C GLU A 45 5.229 16.602 -5.996 1.00 0.00 C ATOM 746 O GLU A 45 5.140 15.700 -6.831 1.00 0.00 O ATOM 747 CB GLU A 45 2.987 17.490 -5.303 1.00 0.00 C ATOM 748 CG GLU A 45 3.204 18.996 -5.367 1.00 0.00 C ATOM 749 CD GLU A 45 2.247 19.762 -4.474 1.00 0.00 C ATOM 750 OE1 GLU A 45 2.248 19.512 -3.251 1.00 0.00 O ATOM 751 OE2 GLU A 45 1.500 20.616 -4.997 1.00 0.00 O ATOM 0 H GLU A 45 4.331 18.154 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 45 3.917 15.694 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.686 17.134 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.162 17.280 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.229 19.224 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.083 19.333 -6.396 1.00 0.00 H new ATOM 758 N ILE A 46 6.183 17.538 -6.033 1.00 0.00 N ATOM 759 CA ILE A 46 7.203 17.560 -7.076 1.00 0.00 C ATOM 760 C ILE A 46 8.343 16.594 -6.750 1.00 0.00 C ATOM 761 O ILE A 46 9.003 16.730 -5.718 1.00 0.00 O ATOM 762 CB ILE A 46 7.791 18.977 -7.264 1.00 0.00 C ATOM 763 CG1 ILE A 46 6.672 20.023 -7.370 1.00 0.00 C ATOM 764 CG2 ILE A 46 8.682 19.019 -8.498 1.00 0.00 C ATOM 765 CD1 ILE A 46 6.496 20.854 -6.115 1.00 0.00 C ATOM 0 H ILE A 46 6.267 18.290 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 46 6.714 17.251 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 46 8.396 19.217 -6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.885 20.687 -8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.733 19.517 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.090 20.023 -8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.499 18.307 -8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.096 18.757 -9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.689 21.571 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.252 20.201 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.421 21.389 -5.900 1.00 0.00 H new ATOM 777 N PRO A 47 8.593 15.606 -7.633 1.00 0.00 N ATOM 778 CA PRO A 47 9.664 14.620 -7.435 1.00 0.00 C ATOM 779 C PRO A 47 11.052 15.197 -7.718 1.00 0.00 C ATOM 780 O PRO A 47 11.203 16.402 -7.931 1.00 0.00 O ATOM 781 CB PRO A 47 9.318 13.529 -8.449 1.00 0.00 C ATOM 782 CG PRO A 47 8.611 14.246 -9.547 1.00 0.00 C ATOM 783 CD PRO A 47 7.854 15.371 -8.891 1.00 0.00 C ATOM 0 HA PRO A 47 9.714 14.269 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.215 13.029 -8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.684 12.761 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.319 14.629 -10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.933 13.577 -10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.839 16.262 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.816 15.097 -8.700 1.00 0.00 H new ATOM 791 N ALA A 48 12.063 14.327 -7.725 1.00 0.00 N ATOM 792 CA ALA A 48 13.440 14.745 -7.984 1.00 0.00 C ATOM 793 C ALA A 48 14.186 13.711 -8.827 1.00 0.00 C ATOM 794 O ALA A 48 14.730 14.038 -9.882 1.00 0.00 O ATOM 795 CB ALA A 48 14.173 14.993 -6.673 1.00 0.00 C ATOM 0 H ALA A 48 11.953 13.327 -7.554 1.00 0.00 H new ATOM 0 HA ALA A 48 13.408 15.676 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.197 15.303 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.663 15.777 -6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.185 14.076 -6.084 1.00 0.00 H new ATOM 801 N THR A 49 14.208 12.464 -8.357 1.00 0.00 N ATOM 802 CA THR A 49 14.886 11.382 -9.069 1.00 0.00 C ATOM 803 C THR A 49 13.901 10.266 -9.417 1.00 0.00 C ATOM 804 O THR A 49 13.694 9.957 -10.591 1.00 0.00 O ATOM 805 CB THR A 49 16.048 10.830 -8.235 1.00 0.00 C ATOM 806 OG1 THR A 49 15.723 10.826 -6.854 1.00 0.00 O ATOM 807 CG2 THR A 49 17.332 11.615 -8.403 1.00 0.00 C ATOM 0 H THR A 49 13.763 12.178 -7.485 1.00 0.00 H new ATOM 0 HA THR A 49 15.290 11.786 -9.997 1.00 0.00 H new ATOM 0 HB THR A 49 16.209 9.817 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.546 10.781 -6.324 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.113 11.171 -7.786 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.639 11.591 -9.449 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.170 12.648 -8.096 1.00 0.00 H new ATOM 815 N ILE A 50 13.290 9.668 -8.392 1.00 0.00 N ATOM 816 CA ILE A 50 12.320 8.597 -8.602 1.00 0.00 C ATOM 817 C ILE A 50 10.931 9.009 -8.096 1.00 0.00 C ATOM 818 O ILE A 50 10.111 9.498 -8.873 1.00 0.00 O ATOM 819 CB ILE A 50 12.763 7.274 -7.927 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.135 6.832 -8.451 1.00 0.00 C ATOM 821 CG2 ILE A 50 11.725 6.181 -8.165 1.00 0.00 C ATOM 822 CD1 ILE A 50 14.184 6.628 -9.952 1.00 0.00 C ATOM 0 H ILE A 50 13.450 9.907 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 50 12.267 8.422 -9.676 1.00 0.00 H new ATOM 0 HB ILE A 50 12.845 7.447 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.877 7.580 -8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.418 5.902 -7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.051 5.259 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.768 6.490 -7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 50 11.613 6.012 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.187 6.316 -10.244 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.467 5.858 -10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.933 7.562 -10.455 1.00 0.00 H new ATOM 834 N PHE A 51 10.677 8.821 -6.793 1.00 0.00 N ATOM 835 CA PHE A 51 9.391 9.185 -6.190 1.00 0.00 C ATOM 836 C PHE A 51 8.230 8.445 -6.861 1.00 0.00 C ATOM 837 O PHE A 51 7.715 8.879 -7.894 1.00 0.00 O ATOM 838 CB PHE A 51 9.185 10.704 -6.271 1.00 0.00 C ATOM 839 CG PHE A 51 7.818 11.175 -5.848 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.448 11.173 -4.511 1.00 0.00 C ATOM 841 CD2 PHE A 51 6.909 11.630 -6.790 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.198 11.619 -4.124 1.00 0.00 C ATOM 843 CE2 PHE A 51 5.659 12.075 -6.408 1.00 0.00 C ATOM 844 CZ PHE A 51 5.302 12.069 -5.074 1.00 0.00 C ATOM 0 H PHE A 51 11.347 8.419 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 51 9.409 8.885 -5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.933 11.193 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.365 11.028 -7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.144 10.819 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.182 11.637 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.922 11.616 -3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.961 12.428 -7.152 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.324 12.416 -4.774 1.00 0.00 H new ATOM 854 N ASP A 52 7.819 7.327 -6.259 1.00 0.00 N ATOM 855 CA ASP A 52 6.718 6.524 -6.785 1.00 0.00 C ATOM 856 C ASP A 52 6.412 5.354 -5.856 1.00 0.00 C ATOM 857 O ASP A 52 7.291 4.871 -5.148 1.00 0.00 O ATOM 858 CB ASP A 52 7.044 6.001 -8.188 1.00 0.00 C ATOM 859 CG ASP A 52 5.832 6.005 -9.101 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.056 6.983 -9.057 1.00 0.00 O ATOM 861 OD2 ASP A 52 5.656 5.028 -9.857 1.00 0.00 O ATOM 0 H ASP A 52 8.235 6.958 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 52 5.839 7.165 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.830 6.615 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.436 4.987 -8.113 1.00 0.00 H new ATOM 866 N LYS A 53 5.163 4.908 -5.859 1.00 0.00 N ATOM 867 CA LYS A 53 4.748 3.797 -5.008 1.00 0.00 C ATOM 868 C LYS A 53 3.927 2.786 -5.809 1.00 0.00 C ATOM 869 O LYS A 53 2.814 3.083 -6.244 1.00 0.00 O ATOM 870 CB LYS A 53 3.945 4.320 -3.814 1.00 0.00 C ATOM 871 CG LYS A 53 4.515 5.591 -3.195 1.00 0.00 C ATOM 872 CD LYS A 53 3.762 6.829 -3.662 1.00 0.00 C ATOM 873 CE LYS A 53 4.710 7.975 -3.982 1.00 0.00 C ATOM 874 NZ LYS A 53 5.166 8.686 -2.754 1.00 0.00 N ATOM 0 H LYS A 53 4.420 5.296 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 53 5.638 3.291 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.921 4.511 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.901 3.544 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.464 5.522 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.568 5.684 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.174 6.585 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.060 7.142 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.576 7.589 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.212 8.682 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.500 9.637 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.374 8.765 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.942 8.153 -2.312 1.00 0.00 H new ATOM 888 N VAL A 54 4.497 1.599 -6.020 1.00 0.00 N ATOM 889 CA VAL A 54 3.830 0.552 -6.793 1.00 0.00 C ATOM 890 C VAL A 54 3.436 -0.641 -5.921 1.00 0.00 C ATOM 891 O VAL A 54 4.105 -0.955 -4.936 1.00 0.00 O ATOM 892 CB VAL A 54 4.727 0.060 -7.951 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.960 -0.882 -8.866 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.284 1.240 -8.738 1.00 0.00 C ATOM 0 H VAL A 54 5.418 1.339 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 54 2.922 0.998 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 54 5.564 -0.491 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.612 -1.215 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.618 -1.746 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.099 -0.361 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.913 0.872 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.461 1.822 -9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.877 1.871 -8.076 1.00 0.00 H new ATOM 904 N ILE A 55 2.343 -1.302 -6.305 1.00 0.00 N ATOM 905 CA ILE A 55 1.838 -2.466 -5.579 1.00 0.00 C ATOM 906 C ILE A 55 1.460 -3.588 -6.552 1.00 0.00 C ATOM 907 O ILE A 55 1.152 -3.332 -7.717 1.00 0.00 O ATOM 908 CB ILE A 55 0.607 -2.100 -4.718 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.903 -0.865 -3.860 1.00 0.00 C ATOM 910 CG2 ILE A 55 0.193 -3.271 -3.836 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.469 0.437 -4.500 1.00 0.00 C ATOM 0 H ILE A 55 1.787 -1.048 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 55 2.636 -2.810 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.220 -1.870 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.401 -0.972 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.973 -0.822 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.675 -2.989 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.060 -4.127 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.017 -3.537 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.710 1.267 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.990 0.568 -5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.606 0.415 -4.677 1.00 0.00 H new ATOM 923 N TYR A 56 1.486 -4.829 -6.072 1.00 0.00 N ATOM 924 CA TYR A 56 1.147 -5.979 -6.910 1.00 0.00 C ATOM 925 C TYR A 56 0.408 -7.052 -6.112 1.00 0.00 C ATOM 926 O TYR A 56 0.611 -7.192 -4.904 1.00 0.00 O ATOM 927 CB TYR A 56 2.410 -6.579 -7.533 1.00 0.00 C ATOM 928 CG TYR A 56 2.496 -6.405 -9.036 1.00 0.00 C ATOM 929 CD1 TYR A 56 1.563 -6.994 -9.882 1.00 0.00 C ATOM 930 CD2 TYR A 56 3.517 -5.655 -9.605 1.00 0.00 C ATOM 931 CE1 TYR A 56 1.646 -6.839 -11.254 1.00 0.00 C ATOM 932 CE2 TYR A 56 3.606 -5.497 -10.978 1.00 0.00 C ATOM 933 CZ TYR A 56 2.667 -6.090 -11.796 1.00 0.00 C ATOM 934 OH TYR A 56 2.753 -5.934 -13.162 1.00 0.00 O ATOM 0 H TYR A 56 1.737 -5.065 -5.112 1.00 0.00 H new ATOM 0 HA TYR A 56 0.487 -5.624 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.284 -6.118 -7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.449 -7.643 -7.297 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.761 -7.582 -9.461 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.253 -5.188 -8.967 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.913 -7.303 -11.898 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.407 -4.912 -11.406 1.00 0.00 H new ATOM 0 HH TYR A 56 3.529 -5.377 -13.379 1.00 0.00 H new ATOM 944 N HIS A 57 -0.445 -7.808 -6.803 1.00 0.00 N ATOM 945 CA HIS A 57 -1.221 -8.878 -6.179 1.00 0.00 C ATOM 946 C HIS A 57 -1.198 -10.134 -7.050 1.00 0.00 C ATOM 947 O HIS A 57 -1.713 -10.129 -8.169 1.00 0.00 O ATOM 948 CB HIS A 57 -2.671 -8.431 -5.957 1.00 0.00 C ATOM 949 CG HIS A 57 -2.803 -7.052 -5.384 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.149 -6.812 -4.072 1.00 0.00 N ATOM 951 CD2 HIS A 57 -2.630 -5.835 -5.954 1.00 0.00 C ATOM 952 CE1 HIS A 57 -3.185 -5.507 -3.859 1.00 0.00 C ATOM 953 NE2 HIS A 57 -2.872 -4.896 -4.984 1.00 0.00 N ATOM 0 H HIS A 57 -0.616 -7.697 -7.802 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.768 -9.107 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.202 -8.471 -6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.161 -9.139 -5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.353 -5.641 -6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.429 -5.025 -2.924 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.818 -3.886 -5.113 1.00 0.00 H new ATOM 962 N LEU A 58 -0.596 -11.208 -6.532 1.00 0.00 N ATOM 963 CA LEU A 58 -0.508 -12.469 -7.273 1.00 0.00 C ATOM 964 C LEU A 58 -1.897 -13.040 -7.565 1.00 0.00 C ATOM 965 O LEU A 58 -2.137 -13.579 -8.646 1.00 0.00 O ATOM 966 CB LEU A 58 0.326 -13.496 -6.497 1.00 0.00 C ATOM 967 CG LEU A 58 1.644 -13.906 -7.167 1.00 0.00 C ATOM 968 CD1 LEU A 58 2.803 -13.078 -6.631 1.00 0.00 C ATOM 969 CD2 LEU A 58 1.907 -15.391 -6.960 1.00 0.00 C ATOM 0 H LEU A 58 -0.165 -11.230 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.017 -12.258 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.549 -13.089 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.279 -14.390 -6.343 1.00 0.00 H new ATOM 0 HG LEU A 58 1.557 -13.716 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.727 -13.386 -7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.620 -12.023 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.893 -13.232 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.846 -15.665 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.971 -15.604 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.093 -15.969 -7.397 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.666 -4.461 -12.326 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.709 -4.137 -11.255 1.00 0.00 C ATOM 1073 C PRO A 65 -2.039 -2.821 -10.550 1.00 0.00 C ATOM 1074 O PRO A 65 -2.830 -2.019 -11.052 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.368 -4.028 -11.990 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.543 -4.837 -13.228 1.00 0.00 C ATOM 1077 CD PRO A 65 -1.988 -4.688 -13.616 1.00 0.00 C ATOM 0 HA PRO A 65 -1.718 -4.890 -10.467 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.130 -2.991 -12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.450 -4.412 -11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.113 -4.482 -14.023 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.292 -5.883 -13.050 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.136 -3.853 -14.300 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.364 -5.581 -14.116 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.428 -2.606 -9.385 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.659 -1.390 -8.606 1.00 0.00 C ATOM 1087 C ASN A 66 -0.454 -0.452 -8.676 1.00 0.00 C ATOM 1088 O ASN A 66 0.686 -0.870 -8.465 1.00 0.00 O ATOM 1089 CB ASN A 66 -1.962 -1.744 -7.147 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.408 -2.156 -6.935 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -3.794 -3.282 -7.243 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.217 -1.244 -6.403 1.00 0.00 N ATOM 0 H ASN A 66 -0.769 -3.258 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.518 -0.875 -9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.307 -2.555 -6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.736 -0.886 -6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.198 -1.468 -6.236 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.856 -0.321 -6.162 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.714 0.821 -8.968 1.00 0.00 N ATOM 1100 CA ARG A 67 0.346 1.823 -9.059 1.00 0.00 C ATOM 1101 C ARG A 67 -0.144 3.176 -8.555 1.00 0.00 C ATOM 1102 O ARG A 67 -1.217 3.640 -8.947 1.00 0.00 O ATOM 1103 CB ARG A 67 0.840 1.944 -10.504 1.00 0.00 C ATOM 1104 CG ARG A 67 1.881 0.904 -10.883 1.00 0.00 C ATOM 1105 CD ARG A 67 1.992 0.749 -12.392 1.00 0.00 C ATOM 1106 NE ARG A 67 3.378 0.820 -12.851 1.00 0.00 N ATOM 1107 CZ ARG A 67 4.261 -0.173 -12.712 1.00 0.00 C ATOM 1108 NH1 ARG A 67 3.907 -1.317 -12.130 1.00 0.00 N ATOM 1109 NH2 ARG A 67 5.504 -0.021 -13.156 1.00 0.00 N ATOM 0 H ARG A 67 -1.651 1.183 -9.146 1.00 0.00 H new ATOM 0 HA ARG A 67 1.175 1.502 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.012 1.855 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.262 2.938 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.849 1.191 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.618 -0.055 -10.436 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.560 -0.206 -12.691 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.408 1.529 -12.880 1.00 0.00 H new ATOM 0 HE ARG A 67 3.690 1.679 -13.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.955 -1.441 -11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.588 -2.070 -12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.783 0.853 -13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.179 -0.778 -13.051 1.00 0.00 H new ATOM 1123 N THR A 68 0.640 3.803 -7.679 1.00 0.00 N ATOM 1124 CA THR A 68 0.277 5.101 -7.114 1.00 0.00 C ATOM 1125 C THR A 68 1.327 6.163 -7.441 1.00 0.00 C ATOM 1126 O THR A 68 2.395 6.210 -6.824 1.00 0.00 O ATOM 1127 CB THR A 68 0.096 4.997 -5.595 1.00 0.00 C ATOM 1128 OG1 THR A 68 -0.238 3.675 -5.210 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.979 5.920 -5.056 1.00 0.00 C ATOM 0 H THR A 68 1.530 3.433 -7.346 1.00 0.00 H new ATOM 0 HA THR A 68 -0.668 5.403 -7.565 1.00 0.00 H new ATOM 0 HB THR A 68 1.056 5.295 -5.173 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.651 3.688 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.056 5.797 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.720 6.954 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.935 5.674 -5.518 1.00 0.00 H new ATOM 1137 N PHE A 69 1.006 7.017 -8.411 1.00 0.00 N ATOM 1138 CA PHE A 69 1.901 8.094 -8.827 1.00 0.00 C ATOM 1139 C PHE A 69 1.407 9.434 -8.284 1.00 0.00 C ATOM 1140 O PHE A 69 2.152 10.161 -7.626 1.00 0.00 O ATOM 1141 CB PHE A 69 1.987 8.149 -10.358 1.00 0.00 C ATOM 1142 CG PHE A 69 3.266 8.745 -10.883 1.00 0.00 C ATOM 1143 CD1 PHE A 69 3.636 10.043 -10.557 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.098 8.005 -11.708 1.00 0.00 C ATOM 1145 CE1 PHE A 69 4.811 10.586 -11.044 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.273 8.543 -12.198 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.630 9.834 -11.866 1.00 0.00 C ATOM 0 H PHE A 69 0.126 6.983 -8.926 1.00 0.00 H new ATOM 0 HA PHE A 69 2.894 7.896 -8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.881 7.139 -10.753 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.146 8.730 -10.737 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.999 10.635 -9.916 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.824 6.994 -11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.089 11.596 -10.783 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.911 7.954 -12.840 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.548 10.256 -12.248 1.00 0.00 H new ATOM 1157 N THR A 70 0.142 9.750 -8.570 1.00 0.00 N ATOM 1158 CA THR A 70 -0.467 11.001 -8.118 1.00 0.00 C ATOM 1159 C THR A 70 -1.996 10.877 -8.048 1.00 0.00 C ATOM 1160 O THR A 70 -2.723 11.832 -8.332 1.00 0.00 O ATOM 1161 CB THR A 70 -0.057 12.147 -9.056 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.558 13.389 -8.593 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.533 11.964 -10.483 1.00 0.00 C ATOM 0 H THR A 70 -0.482 9.154 -9.114 1.00 0.00 H new ATOM 0 HA THR A 70 -0.107 11.220 -7.113 1.00 0.00 H new ATOM 0 HB THR A 70 1.033 12.135 -9.051 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.498 13.287 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.207 12.811 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.114 11.044 -10.891 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.621 11.905 -10.499 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.476 9.691 -7.664 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.913 9.433 -7.553 1.00 0.00 C ATOM 1173 C ASP A 71 -4.313 9.164 -6.101 1.00 0.00 C ATOM 1174 O ASP A 71 -3.455 8.914 -5.252 1.00 0.00 O ATOM 1175 CB ASP A 71 -4.302 8.238 -8.434 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.857 8.666 -9.780 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -4.130 9.351 -10.530 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -6.017 8.315 -10.084 1.00 0.00 O ATOM 0 H ASP A 71 -1.888 8.893 -7.424 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.445 10.321 -7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.428 7.605 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.045 7.633 -7.914 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.628 9.208 -5.797 1.00 0.00 N ATOM 1184 CA PRO A 72 -6.140 8.966 -4.439 1.00 0.00 C ATOM 1185 C PRO A 72 -5.756 7.582 -3.908 1.00 0.00 C ATOM 1186 O PRO A 72 -5.468 6.670 -4.686 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.664 9.078 -4.593 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.924 8.931 -6.055 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.717 9.494 -6.747 1.00 0.00 C ATOM 0 HA PRO A 72 -5.723 9.673 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.175 8.302 -4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.027 10.037 -4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.074 7.885 -6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.827 9.467 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.546 9.018 -7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.820 10.563 -6.933 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.748 7.407 -2.572 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.396 6.126 -1.943 1.00 0.00 C ATOM 1199 C PRO A 73 -6.460 5.052 -2.169 1.00 0.00 C ATOM 1200 O PRO A 73 -7.634 5.363 -2.373 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.295 6.475 -0.455 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.174 7.667 -0.286 1.00 0.00 C ATOM 1203 CD PRO A 73 -6.079 8.440 -1.571 1.00 0.00 C ATOM 0 HA PRO A 73 -4.480 5.708 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.627 5.646 0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.267 6.697 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.203 7.367 -0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.849 8.274 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.017 8.942 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.310 9.210 -1.520 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.042 3.786 -2.125 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.962 2.667 -2.321 1.00 0.00 C ATOM 1213 C PHE A 74 -7.580 2.235 -0.992 1.00 0.00 C ATOM 1214 O PHE A 74 -6.933 2.306 0.053 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.233 1.483 -2.971 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.604 1.257 -4.412 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -5.930 1.917 -5.428 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -7.625 0.383 -4.750 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -6.268 1.710 -6.752 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -7.968 0.171 -6.072 1.00 0.00 C ATOM 1221 CZ PHE A 74 -7.288 0.837 -7.074 1.00 0.00 C ATOM 0 H PHE A 74 -5.074 3.511 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.762 2.997 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.158 1.650 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.451 0.578 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.131 2.601 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.160 -0.139 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.735 2.231 -7.534 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.765 -0.513 -6.321 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.554 0.675 -8.108 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.834 1.787 -1.040 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.543 1.340 0.159 1.00 0.00 C ATOM 1233 C ARG A 75 -10.880 0.693 -0.211 1.00 0.00 C ATOM 1234 O ARG A 75 -11.932 1.330 -0.136 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.767 2.520 1.117 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.483 2.139 2.406 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.546 2.180 3.605 1.00 0.00 C ATOM 1238 NE ARG A 75 -10.279 2.227 4.869 1.00 0.00 N ATOM 1239 CZ ARG A 75 -9.759 2.646 6.025 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -8.487 3.033 6.096 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -10.512 2.671 7.120 1.00 0.00 N ATOM 0 H ARG A 75 -9.381 1.724 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.929 0.593 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.802 2.962 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.347 3.287 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.318 2.820 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.903 1.138 2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.901 1.301 3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.897 3.053 3.529 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.252 1.919 4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.900 3.011 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.100 3.351 6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.486 2.370 7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.116 2.991 8.004 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.826 -0.577 -0.617 1.00 0.00 N ATOM 1256 CA ILE A 76 -12.029 -1.316 -1.005 1.00 0.00 C ATOM 1257 C ILE A 76 -11.963 -2.767 -0.525 1.00 0.00 C ATOM 1258 O ILE A 76 -10.896 -3.385 -0.533 1.00 0.00 O ATOM 1259 CB ILE A 76 -12.239 -1.311 -2.538 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -12.133 0.111 -3.103 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -13.591 -1.920 -2.891 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -10.753 0.453 -3.623 1.00 0.00 C ATOM 0 H ILE A 76 -9.962 -1.115 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.869 -0.808 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.452 -1.916 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.856 0.227 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.406 0.824 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.724 -1.909 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.632 -2.948 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.385 -1.339 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.751 1.473 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.028 0.369 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.485 -0.237 -4.423 1.00 0.00 H new ATOM 1274 N GLU A 77 -13.113 -3.303 -0.113 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.197 -4.681 0.365 1.00 0.00 C ATOM 1276 C GLU A 77 -14.414 -5.389 -0.228 1.00 0.00 C ATOM 1277 O GLU A 77 -15.527 -4.862 -0.191 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.261 -4.710 1.896 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.388 -3.871 2.484 1.00 0.00 C ATOM 1280 CD GLU A 77 -13.890 -2.570 3.085 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -13.783 -1.575 2.337 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -13.606 -2.548 4.300 1.00 0.00 O ATOM 0 H GLU A 77 -14.001 -2.801 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.301 -5.210 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.380 -5.742 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.311 -4.356 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.118 -3.652 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.904 -4.448 3.251 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.197 -6.585 -0.779 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.282 -7.360 -1.385 1.00 0.00 C ATOM 1291 C GLU A 78 -15.189 -8.837 -1.009 1.00 0.00 C ATOM 1292 O GLU A 78 -14.161 -9.300 -0.509 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.257 -7.210 -2.909 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.351 -5.769 -3.390 1.00 0.00 C ATOM 1295 CD GLU A 78 -16.524 -5.537 -4.322 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -16.457 -5.984 -5.487 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -17.512 -4.908 -3.888 1.00 0.00 O ATOM 0 H GLU A 78 -13.283 -7.037 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.223 -6.969 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.337 -7.651 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.084 -7.779 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.441 -5.108 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.427 -5.501 -3.902 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.271 -9.575 -1.265 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.312 -11.004 -0.964 1.00 0.00 C ATOM 1306 C GLN A 79 -16.067 -11.835 -2.222 1.00 0.00 C ATOM 1307 O GLN A 79 -16.744 -11.661 -3.237 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.652 -11.393 -0.326 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.875 -11.042 -1.166 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.800 -12.231 -1.378 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.159 -12.556 -2.509 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -20.190 -12.885 -0.288 1.00 0.00 N ATOM 0 H GLN A 79 -17.127 -9.206 -1.679 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.515 -11.214 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.652 -12.466 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.737 -10.899 0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -19.428 -10.239 -0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.549 -10.663 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.868 -12.582 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.811 -13.690 -0.371 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.094 -12.741 -2.143 1.00 0.00 N ATOM 1322 CA GLY A 80 -14.767 -13.594 -3.273 1.00 0.00 C ATOM 1323 C GLY A 80 -13.795 -14.701 -2.910 1.00 0.00 C ATOM 1324 O GLY A 80 -13.520 -14.932 -1.731 1.00 0.00 O ATOM 0 H GLY A 80 -14.524 -12.899 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.683 -14.035 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.338 -12.986 -4.069 1.00 0.00 H new ATOM 1328 N TRP A 81 -13.268 -15.386 -3.928 1.00 0.00 N ATOM 1329 CA TRP A 81 -12.317 -16.473 -3.710 1.00 0.00 C ATOM 1330 C TRP A 81 -10.949 -16.116 -4.297 1.00 0.00 C ATOM 1331 O TRP A 81 -10.786 -16.052 -5.516 1.00 0.00 O ATOM 1332 CB TRP A 81 -12.835 -17.772 -4.339 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.269 -18.072 -4.012 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.764 -18.524 -2.821 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -15.396 -17.941 -4.890 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -16.126 -18.681 -2.904 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -16.539 -18.329 -4.163 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -15.550 -17.532 -6.218 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -17.815 -18.320 -4.723 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -16.816 -17.525 -6.770 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -17.935 -17.916 -6.024 1.00 0.00 C ATOM 0 H TRP A 81 -13.485 -15.206 -4.908 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.208 -16.621 -2.636 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -12.724 -17.710 -5.422 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.214 -18.601 -4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -14.170 -18.728 -1.942 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -16.732 -19.007 -2.151 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.694 -17.227 -6.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -18.679 -18.622 -4.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -16.945 -17.212 -7.796 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -18.911 -17.898 -6.485 1.00 0.00 H new ATOM 1352 N GLY A 82 -9.972 -15.883 -3.419 1.00 0.00 N ATOM 1353 CA GLY A 82 -8.634 -15.531 -3.866 1.00 0.00 C ATOM 1354 C GLY A 82 -7.669 -15.335 -2.710 1.00 0.00 C ATOM 1355 O GLY A 82 -7.957 -14.587 -1.775 1.00 0.00 O ATOM 0 H GLY A 82 -10.085 -15.932 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.256 -16.315 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.680 -14.616 -4.456 1.00 0.00 H new ATOM 1359 N GLY A 83 -6.522 -16.010 -2.778 1.00 0.00 N ATOM 1360 CA GLY A 83 -5.524 -15.898 -1.728 1.00 0.00 C ATOM 1361 C GLY A 83 -4.132 -16.243 -2.221 1.00 0.00 C ATOM 1362 O GLY A 83 -3.761 -17.416 -2.271 1.00 0.00 O ATOM 0 H GLY A 83 -6.267 -16.633 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.526 -14.882 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.790 -16.560 -0.904 1.00 0.00 H new ATOM 1366 N PHE A 84 -3.363 -15.219 -2.592 1.00 0.00 N ATOM 1367 CA PHE A 84 -2.004 -15.418 -3.091 1.00 0.00 C ATOM 1368 C PHE A 84 -1.068 -14.317 -2.591 1.00 0.00 C ATOM 1369 O PHE A 84 -1.523 -13.292 -2.081 1.00 0.00 O ATOM 1370 CB PHE A 84 -2.002 -15.452 -4.622 1.00 0.00 C ATOM 1371 CG PHE A 84 -2.776 -16.605 -5.208 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -4.152 -16.532 -5.357 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -2.124 -17.761 -5.608 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -4.862 -17.587 -5.899 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -2.830 -18.819 -6.149 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.200 -18.732 -6.292 1.00 0.00 C ATOM 0 H PHE A 84 -3.659 -14.244 -2.556 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.641 -16.373 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.421 -14.518 -4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.971 -15.503 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.676 -15.640 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.052 -17.836 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.933 -17.515 -6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.310 -19.713 -6.460 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.753 -19.559 -6.711 1.00 0.00 H new ATOM 1386 N PRO A 85 0.263 -14.524 -2.721 1.00 0.00 N ATOM 1387 CA PRO A 85 1.272 -13.553 -2.272 1.00 0.00 C ATOM 1388 C PRO A 85 1.016 -12.129 -2.783 1.00 0.00 C ATOM 1389 O PRO A 85 0.206 -11.914 -3.687 1.00 0.00 O ATOM 1390 CB PRO A 85 2.579 -14.114 -2.846 1.00 0.00 C ATOM 1391 CG PRO A 85 2.338 -15.579 -2.959 1.00 0.00 C ATOM 1392 CD PRO A 85 0.884 -15.732 -3.306 1.00 0.00 C ATOM 0 HA PRO A 85 1.273 -13.448 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.808 -13.673 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.424 -13.900 -2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.972 -16.021 -3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.572 -16.087 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.731 -15.780 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.464 -16.645 -2.883 1.00 0.00 H new ATOM 1400 N LEU A 86 1.714 -11.163 -2.184 1.00 0.00 N ATOM 1401 CA LEU A 86 1.580 -9.754 -2.543 1.00 0.00 C ATOM 1402 C LEU A 86 2.919 -9.049 -2.381 1.00 0.00 C ATOM 1403 O LEU A 86 3.832 -9.577 -1.745 1.00 0.00 O ATOM 1404 CB LEU A 86 0.543 -9.075 -1.637 1.00 0.00 C ATOM 1405 CG LEU A 86 -0.767 -8.663 -2.308 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.662 -9.872 -2.531 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.478 -7.620 -1.460 1.00 0.00 C ATOM 0 H LEU A 86 2.387 -11.337 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 86 1.254 -9.689 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.310 -9.752 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.999 -8.187 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.539 -8.229 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.589 -9.555 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.150 -10.591 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.890 -10.338 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.411 -7.331 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.694 -8.037 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.840 -6.743 -1.350 1.00 0.00 H new ATOM 1419 N ASP A 87 3.032 -7.851 -2.939 1.00 0.00 N ATOM 1420 CA ASP A 87 4.267 -7.088 -2.826 1.00 0.00 C ATOM 1421 C ASP A 87 4.013 -5.598 -3.028 1.00 0.00 C ATOM 1422 O ASP A 87 3.282 -5.190 -3.934 1.00 0.00 O ATOM 1423 CB ASP A 87 5.306 -7.614 -3.817 1.00 0.00 C ATOM 1424 CG ASP A 87 5.035 -7.180 -5.246 1.00 0.00 C ATOM 1425 OD1 ASP A 87 5.400 -6.040 -5.602 1.00 0.00 O ATOM 1426 OD2 ASP A 87 4.466 -7.985 -6.009 1.00 0.00 O ATOM 0 H ASP A 87 2.292 -7.391 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 87 4.661 -7.216 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.294 -7.265 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.325 -8.703 -3.771 1.00 0.00 H new ATOM 1431 N ILE A 88 4.612 -4.792 -2.154 1.00 0.00 N ATOM 1432 CA ILE A 88 4.454 -3.344 -2.197 1.00 0.00 C ATOM 1433 C ILE A 88 5.815 -2.646 -2.173 1.00 0.00 C ATOM 1434 O ILE A 88 6.639 -2.914 -1.297 1.00 0.00 O ATOM 1435 CB ILE A 88 3.598 -2.855 -1.004 1.00 0.00 C ATOM 1436 CG1 ILE A 88 2.325 -3.703 -0.887 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.260 -1.377 -1.149 1.00 0.00 C ATOM 1438 CD1 ILE A 88 2.515 -4.958 -0.059 1.00 0.00 C ATOM 0 H ILE A 88 5.216 -5.123 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 88 3.946 -3.091 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 88 4.176 -2.973 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.534 -3.099 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.990 -3.982 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.658 -1.056 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.181 -0.795 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.699 -1.221 -2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.577 -5.511 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.284 -5.582 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.821 -4.685 0.951 1.00 0.00 H new ATOM 1450 N SER A 89 6.045 -1.757 -3.142 1.00 0.00 N ATOM 1451 CA SER A 89 7.310 -1.024 -3.231 1.00 0.00 C ATOM 1452 C SER A 89 7.083 0.478 -3.088 1.00 0.00 C ATOM 1453 O SER A 89 6.140 1.029 -3.660 1.00 0.00 O ATOM 1454 CB SER A 89 8.020 -1.317 -4.560 1.00 0.00 C ATOM 1455 OG SER A 89 7.214 -0.964 -5.671 1.00 0.00 O ATOM 0 H SER A 89 5.373 -1.528 -3.875 1.00 0.00 H new ATOM 0 HA SER A 89 7.944 -1.362 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.959 -0.765 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.271 -2.376 -4.613 1.00 0.00 H new ATOM 0 HG SER A 89 7.696 -1.162 -6.501 1.00 0.00 H new ATOM 1461 N VAL A 90 7.952 1.137 -2.322 1.00 0.00 N ATOM 1462 CA VAL A 90 7.840 2.576 -2.107 1.00 0.00 C ATOM 1463 C VAL A 90 9.124 3.299 -2.507 1.00 0.00 C ATOM 1464 O VAL A 90 10.223 2.882 -2.140 1.00 0.00 O ATOM 1465 CB VAL A 90 7.509 2.915 -0.638 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.015 4.351 -0.517 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.480 1.943 -0.079 1.00 0.00 C ATOM 0 H VAL A 90 8.738 0.698 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 90 7.020 2.917 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 90 8.422 2.817 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.787 4.571 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.788 5.033 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.116 4.478 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.262 2.201 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.565 2.003 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.875 0.928 -0.125 1.00 0.00 H new ATOM 1477 N PHE A 91 8.967 4.383 -3.266 1.00 0.00 N ATOM 1478 CA PHE A 91 10.096 5.183 -3.733 1.00 0.00 C ATOM 1479 C PHE A 91 9.882 6.661 -3.405 1.00 0.00 C ATOM 1480 O PHE A 91 8.750 7.102 -3.195 1.00 0.00 O ATOM 1481 CB PHE A 91 10.290 5.008 -5.245 1.00 0.00 C ATOM 1482 CG PHE A 91 10.508 3.583 -5.677 1.00 0.00 C ATOM 1483 CD1 PHE A 91 9.481 2.653 -5.603 1.00 0.00 C ATOM 1484 CD2 PHE A 91 11.740 3.175 -6.158 1.00 0.00 C ATOM 1485 CE1 PHE A 91 9.682 1.347 -5.999 1.00 0.00 C ATOM 1486 CE2 PHE A 91 11.946 1.869 -6.555 1.00 0.00 C ATOM 1487 CZ PHE A 91 10.916 0.953 -6.477 1.00 0.00 C ATOM 0 H PHE A 91 8.058 4.729 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 91 10.992 4.836 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.414 5.402 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.144 5.607 -5.562 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.513 2.955 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 91 12.550 3.887 -6.224 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.874 0.633 -5.935 1.00 0.00 H new ATOM 0 HE2 PHE A 91 12.913 1.564 -6.927 1.00 0.00 H new ATOM 0 HZ PHE A 91 11.075 -0.069 -6.789 1.00 0.00 H new ATOM 1497 N LEU A 92 10.976 7.418 -3.371 1.00 0.00 N ATOM 1498 CA LEU A 92 10.917 8.849 -3.069 1.00 0.00 C ATOM 1499 C LEU A 92 11.976 9.621 -3.854 1.00 0.00 C ATOM 1500 O LEU A 92 11.673 10.632 -4.487 1.00 0.00 O ATOM 1501 CB LEU A 92 11.100 9.090 -1.566 1.00 0.00 C ATOM 1502 CG LEU A 92 12.064 8.136 -0.862 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.841 8.866 0.220 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.305 6.951 -0.282 1.00 0.00 C ATOM 0 H LEU A 92 11.916 7.065 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 92 9.934 9.212 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.454 10.111 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.126 9.018 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 92 12.779 7.759 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.522 8.171 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.412 9.679 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.147 9.273 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.004 6.280 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.569 7.308 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.798 6.416 -1.085 1.00 0.00 H new ATOM 1516 N LEU A 93 13.219 9.138 -3.810 1.00 0.00 N ATOM 1517 CA LEU A 93 14.315 9.785 -4.523 1.00 0.00 C ATOM 1518 C LEU A 93 15.418 8.780 -4.862 1.00 0.00 C ATOM 1519 O LEU A 93 15.456 8.250 -5.974 1.00 0.00 O ATOM 1520 CB LEU A 93 14.879 10.945 -3.695 1.00 0.00 C ATOM 1521 CG LEU A 93 14.530 12.341 -4.217 1.00 0.00 C ATOM 1522 CD1 LEU A 93 13.464 12.991 -3.347 1.00 0.00 C ATOM 1523 CD2 LEU A 93 15.779 13.212 -4.280 1.00 0.00 C ATOM 0 H LEU A 93 13.488 8.303 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 93 13.924 10.183 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.513 10.854 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.964 10.849 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 93 14.128 12.241 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.231 13.982 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.563 12.377 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.833 13.080 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.514 14.201 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.209 13.303 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.508 12.755 -4.949 1.00 0.00 H new ATOM 1535 N GLU A 94 16.313 8.522 -3.907 1.00 0.00 N ATOM 1536 CA GLU A 94 17.411 7.583 -4.122 1.00 0.00 C ATOM 1537 C GLU A 94 17.287 6.368 -3.205 1.00 0.00 C ATOM 1538 O GLU A 94 16.841 5.304 -3.633 1.00 0.00 O ATOM 1539 CB GLU A 94 18.758 8.278 -3.897 1.00 0.00 C ATOM 1540 CG GLU A 94 19.344 8.899 -5.153 1.00 0.00 C ATOM 1541 CD GLU A 94 20.533 8.122 -5.684 1.00 0.00 C ATOM 1542 OE1 GLU A 94 21.568 8.066 -4.984 1.00 0.00 O ATOM 1543 OE2 GLU A 94 20.429 7.565 -6.798 1.00 0.00 O ATOM 0 H GLU A 94 16.298 8.949 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 94 17.358 7.236 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.634 9.055 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.467 7.554 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.574 8.950 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.649 9.923 -4.940 1.00 0.00 H new ATOM 1550 N LYS A 95 17.689 6.529 -1.944 1.00 0.00 N ATOM 1551 CA LYS A 95 17.623 5.437 -0.974 1.00 0.00 C ATOM 1552 C LYS A 95 17.307 5.951 0.433 1.00 0.00 C ATOM 1553 O LYS A 95 17.754 5.376 1.429 1.00 0.00 O ATOM 1554 CB LYS A 95 18.943 4.655 -0.970 1.00 0.00 C ATOM 1555 CG LYS A 95 20.145 5.476 -0.523 1.00 0.00 C ATOM 1556 CD LYS A 95 20.956 5.973 -1.710 1.00 0.00 C ATOM 1557 CE LYS A 95 21.583 7.331 -1.432 1.00 0.00 C ATOM 1558 NZ LYS A 95 22.896 7.497 -2.122 1.00 0.00 N ATOM 0 H LYS A 95 18.062 7.402 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 95 16.812 4.773 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.840 3.792 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.130 4.272 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.806 6.326 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.780 4.871 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 95 21.739 5.251 -1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.313 6.041 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.902 8.117 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 95 21.721 7.453 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.424 8.277 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 23.445 6.618 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.735 7.712 -3.127 1.00 0.00 H new ATOM 1572 N ALA A 96 16.520 7.025 0.513 1.00 0.00 N ATOM 1573 CA ALA A 96 16.133 7.598 1.799 1.00 0.00 C ATOM 1574 C ALA A 96 15.035 6.759 2.445 1.00 0.00 C ATOM 1575 O ALA A 96 15.039 6.537 3.656 1.00 0.00 O ATOM 1576 CB ALA A 96 15.674 9.041 1.628 1.00 0.00 C ATOM 0 H ALA A 96 16.140 7.514 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 96 17.004 7.593 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.390 9.450 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.487 9.634 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.817 9.073 0.956 1.00 0.00 H new ATOM 1582 N GLY A 97 14.099 6.291 1.618 1.00 0.00 N ATOM 1583 CA GLY A 97 13.005 5.472 2.107 1.00 0.00 C ATOM 1584 C GLY A 97 12.535 4.451 1.082 1.00 0.00 C ATOM 1585 O GLY A 97 11.389 3.999 1.131 1.00 0.00 O ATOM 0 H GLY A 97 14.082 6.467 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.321 4.954 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.170 6.115 2.383 1.00 0.00 H new ATOM 1589 N GLU A 98 13.421 4.081 0.153 1.00 0.00 N ATOM 1590 CA GLU A 98 13.088 3.109 -0.884 1.00 0.00 C ATOM 1591 C GLU A 98 13.122 1.693 -0.316 1.00 0.00 C ATOM 1592 O GLU A 98 14.196 1.128 -0.102 1.00 0.00 O ATOM 1593 CB GLU A 98 14.063 3.231 -2.059 1.00 0.00 C ATOM 1594 CG GLU A 98 13.402 3.080 -3.418 1.00 0.00 C ATOM 1595 CD GLU A 98 14.409 3.055 -4.553 1.00 0.00 C ATOM 1596 OE1 GLU A 98 14.930 1.963 -4.859 1.00 0.00 O ATOM 1597 OE2 GLU A 98 14.670 4.128 -5.138 1.00 0.00 O ATOM 0 H GLU A 98 14.374 4.442 0.101 1.00 0.00 H new ATOM 0 HA GLU A 98 12.080 3.316 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.557 4.201 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.839 2.473 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.818 2.160 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.705 3.903 -3.573 1.00 0.00 H new ATOM 1604 N ARG A 99 11.942 1.127 -0.057 1.00 0.00 N ATOM 1605 CA ARG A 99 11.852 -0.218 0.504 1.00 0.00 C ATOM 1606 C ARG A 99 10.678 -1.006 -0.080 1.00 0.00 C ATOM 1607 O ARG A 99 9.688 -0.429 -0.534 1.00 0.00 O ATOM 1608 CB ARG A 99 11.714 -0.141 2.027 1.00 0.00 C ATOM 1609 CG ARG A 99 12.203 -1.388 2.747 1.00 0.00 C ATOM 1610 CD ARG A 99 12.737 -1.061 4.132 1.00 0.00 C ATOM 1611 NE ARG A 99 13.990 -1.760 4.416 1.00 0.00 N ATOM 1612 CZ ARG A 99 14.064 -3.042 4.787 1.00 0.00 C ATOM 1613 NH1 ARG A 99 12.959 -3.775 4.906 1.00 0.00 N ATOM 1614 NH2 ARG A 99 15.247 -3.592 5.034 1.00 0.00 N ATOM 0 H ARG A 99 11.042 1.577 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 99 12.770 -0.744 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.273 0.721 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.667 0.028 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.386 -2.104 2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.986 -1.866 2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.895 0.014 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.993 -1.332 4.881 1.00 0.00 H new ATOM 0 HE ARG A 99 14.861 -1.237 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.048 -3.359 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.024 -4.753 5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.097 -3.036 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.306 -4.570 5.317 1.00 0.00 H new ATOM 1628 N LYS A 100 10.800 -2.334 -0.044 1.00 0.00 N ATOM 1629 CA LYS A 100 9.759 -3.228 -0.543 1.00 0.00 C ATOM 1630 C LYS A 100 9.296 -4.166 0.567 1.00 0.00 C ATOM 1631 O LYS A 100 10.112 -4.678 1.336 1.00 0.00 O ATOM 1632 CB LYS A 100 10.275 -4.045 -1.733 1.00 0.00 C ATOM 1633 CG LYS A 100 9.475 -3.837 -3.009 1.00 0.00 C ATOM 1634 CD LYS A 100 9.669 -4.985 -3.989 1.00 0.00 C ATOM 1635 CE LYS A 100 8.392 -5.792 -4.168 1.00 0.00 C ATOM 1636 NZ LYS A 100 8.631 -7.065 -4.905 1.00 0.00 N ATOM 0 H LYS A 100 11.618 -2.815 0.330 1.00 0.00 H new ATOM 0 HA LYS A 100 8.916 -2.622 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.316 -3.781 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.257 -5.103 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.417 -3.743 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.778 -2.902 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.989 -4.590 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.465 -5.638 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.965 -6.015 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.658 -5.193 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.719 -7.508 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.153 -6.866 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.188 -7.711 -4.310 1.00 0.00 H new ATOM 1650 N ILE A 101 7.985 -4.385 0.653 1.00 0.00 N ATOM 1651 CA ILE A 101 7.425 -5.257 1.680 1.00 0.00 C ATOM 1652 C ILE A 101 6.427 -6.254 1.090 1.00 0.00 C ATOM 1653 O ILE A 101 5.336 -5.872 0.662 1.00 0.00 O ATOM 1654 CB ILE A 101 6.731 -4.453 2.801 1.00 0.00 C ATOM 1655 CG1 ILE A 101 5.841 -3.344 2.217 1.00 0.00 C ATOM 1656 CG2 ILE A 101 7.766 -3.875 3.758 1.00 0.00 C ATOM 1657 CD1 ILE A 101 6.565 -2.039 1.945 1.00 0.00 C ATOM 0 H ILE A 101 7.295 -3.972 0.026 1.00 0.00 H new ATOM 0 HA ILE A 101 8.266 -5.803 2.106 1.00 0.00 H new ATOM 0 HB ILE A 101 6.087 -5.132 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.399 -3.701 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.019 -3.153 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.261 -3.311 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.340 -4.686 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.438 -3.214 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.864 -1.312 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.983 -1.654 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.369 -2.211 1.229 1.00 0.00 H new ATOM 1669 N PRO A 102 6.790 -7.550 1.063 1.00 0.00 N ATOM 1670 CA PRO A 102 5.921 -8.603 0.532 1.00 0.00 C ATOM 1671 C PRO A 102 4.829 -9.008 1.521 1.00 0.00 C ATOM 1672 O PRO A 102 4.938 -8.750 2.722 1.00 0.00 O ATOM 1673 CB PRO A 102 6.891 -9.758 0.296 1.00 0.00 C ATOM 1674 CG PRO A 102 7.944 -9.577 1.334 1.00 0.00 C ATOM 1675 CD PRO A 102 8.075 -8.092 1.553 1.00 0.00 C ATOM 0 HA PRO A 102 5.384 -8.286 -0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.393 -10.722 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.313 -9.723 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.668 -10.083 2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.891 -10.006 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.234 -7.855 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.920 -7.679 1.002 1.00 0.00 H new ATOM 1683 N HIS A 103 3.777 -9.644 1.010 1.00 0.00 N ATOM 1684 CA HIS A 103 2.665 -10.085 1.845 1.00 0.00 C ATOM 1685 C HIS A 103 2.103 -11.415 1.352 1.00 0.00 C ATOM 1686 O HIS A 103 2.456 -11.885 0.269 1.00 0.00 O ATOM 1687 CB HIS A 103 1.559 -9.025 1.856 1.00 0.00 C ATOM 1688 CG HIS A 103 1.719 -7.982 2.921 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.369 -8.207 4.118 1.00 0.00 N ATOM 1690 CD2 HIS A 103 1.298 -6.696 2.963 1.00 0.00 C ATOM 1691 CE1 HIS A 103 2.337 -7.107 4.847 1.00 0.00 C ATOM 1692 NE2 HIS A 103 1.694 -6.177 4.170 1.00 0.00 N ATOM 0 H HIS A 103 3.672 -9.865 0.020 1.00 0.00 H new ATOM 0 HA HIS A 103 3.039 -10.225 2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.532 -8.534 0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.597 -9.521 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.752 -6.175 2.190 1.00 0.00 H new ATOM 0 HE1 HIS A 103 2.765 -6.989 5.831 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.519 -5.225 4.491 1.00 0.00 H new ATOM 1701 N ASP A 104 1.222 -12.012 2.153 1.00 0.00 N ATOM 1702 CA ASP A 104 0.601 -13.284 1.799 1.00 0.00 C ATOM 1703 C ASP A 104 -0.900 -13.234 2.060 1.00 0.00 C ATOM 1704 O ASP A 104 -1.354 -13.475 3.180 1.00 0.00 O ATOM 1705 CB ASP A 104 1.233 -14.430 2.594 1.00 0.00 C ATOM 1706 CG ASP A 104 2.562 -14.883 2.016 1.00 0.00 C ATOM 1707 OD1 ASP A 104 2.676 -14.971 0.773 1.00 0.00 O ATOM 1708 OD2 ASP A 104 3.490 -15.152 2.808 1.00 0.00 O ATOM 0 H ASP A 104 0.923 -11.634 3.052 1.00 0.00 H new ATOM 0 HA ASP A 104 0.768 -13.462 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.380 -14.112 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.544 -15.275 2.615 1.00 0.00 H new ATOM 1713 N LEU A 105 -1.669 -12.926 1.017 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.119 -12.852 1.140 1.00 0.00 C ATOM 1715 C LEU A 105 -3.723 -14.252 1.144 1.00 0.00 C ATOM 1716 O LEU A 105 -3.528 -15.021 0.203 1.00 0.00 O ATOM 1717 CB LEU A 105 -3.718 -12.022 0.000 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.245 -11.888 0.027 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.674 -10.845 1.044 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -5.775 -11.536 -1.354 1.00 0.00 C ATOM 0 H LEU A 105 -1.312 -12.725 0.083 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.357 -12.363 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.281 -11.024 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.425 -12.471 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.667 -12.848 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.761 -10.766 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.329 -11.140 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.240 -9.880 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.861 -11.445 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.343 -10.589 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.502 -12.321 -2.059 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.449 -14.576 2.208 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.075 -15.887 2.332 1.00 0.00 C ATOM 1734 C ASN A 106 -6.509 -15.765 2.844 1.00 0.00 C ATOM 1735 O ASN A 106 -7.007 -14.662 3.074 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.248 -16.785 3.261 1.00 0.00 C ATOM 1737 CG ASN A 106 -3.358 -17.748 2.496 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -2.169 -17.876 2.784 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -3.931 -18.437 1.513 1.00 0.00 N ATOM 0 H ASN A 106 -4.618 -13.950 2.996 1.00 0.00 H new ATOM 0 HA ASN A 106 -5.109 -16.342 1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.632 -16.162 3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.919 -17.351 3.907 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.381 -19.100 0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.920 -18.302 1.305 1.00 0.00 H new ATOM 1746 N PHE A 107 -7.172 -16.910 3.006 1.00 0.00 N ATOM 1747 CA PHE A 107 -8.557 -16.939 3.474 1.00 0.00 C ATOM 1748 C PHE A 107 -8.655 -17.455 4.910 1.00 0.00 C ATOM 1749 O PHE A 107 -7.698 -18.019 5.444 1.00 0.00 O ATOM 1750 CB PHE A 107 -9.413 -17.811 2.546 1.00 0.00 C ATOM 1751 CG PHE A 107 -8.774 -19.129 2.189 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -8.976 -20.248 2.980 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -7.967 -19.243 1.065 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -8.386 -21.457 2.657 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -7.375 -20.448 0.740 1.00 0.00 C ATOM 1756 CZ PHE A 107 -7.586 -21.557 1.538 1.00 0.00 C ATOM 0 H PHE A 107 -6.772 -17.830 2.820 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.933 -15.916 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.373 -18.001 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.618 -17.257 1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -9.601 -20.176 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.800 -18.380 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -8.552 -22.323 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.748 -20.524 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 107 -7.125 -22.500 1.285 1.00 0.00 H new ATOM 1766 N LEU A 108 -9.829 -17.256 5.520 1.00 0.00 N ATOM 1767 CA LEU A 108 -10.092 -17.693 6.894 1.00 0.00 C ATOM 1768 C LEU A 108 -9.441 -16.747 7.909 1.00 0.00 C ATOM 1769 O LEU A 108 -8.601 -17.160 8.710 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.606 -19.133 7.109 1.00 0.00 C ATOM 1771 CG LEU A 108 -10.207 -19.853 8.319 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -11.393 -20.710 7.902 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.148 -20.706 9.006 1.00 0.00 C ATOM 0 H LEU A 108 -10.620 -16.789 5.076 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.170 -17.666 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.831 -19.712 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.521 -19.121 7.216 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.562 -19.102 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.804 -21.212 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.159 -20.078 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.066 -21.455 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.589 -21.212 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.767 -21.448 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.329 -20.069 9.342 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.851 -15.476 7.866 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.334 -14.448 8.773 1.00 0.00 C ATOM 1787 C GLN A 109 -7.851 -14.170 8.520 1.00 0.00 C ATOM 1788 O GLN A 109 -6.992 -15.009 8.799 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.557 -14.850 10.237 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.810 -14.242 10.850 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.348 -15.046 12.021 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -11.434 -16.272 11.958 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.714 -14.357 13.097 1.00 0.00 N ATOM 0 H GLN A 109 -10.547 -15.132 7.205 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.887 -13.530 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.621 -15.936 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.691 -14.546 10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -10.589 -13.228 11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.582 -14.165 10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.626 -13.341 13.106 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.083 -14.844 13.913 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.562 -12.979 7.995 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.192 -12.571 7.704 1.00 0.00 C ATOM 1804 C GLU A 110 -5.901 -11.185 8.268 1.00 0.00 C ATOM 1805 O GLU A 110 -6.781 -10.322 8.318 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.943 -12.580 6.194 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.564 -12.068 5.794 1.00 0.00 C ATOM 1808 CD GLU A 110 -4.469 -11.730 4.318 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -5.285 -12.252 3.532 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.575 -10.942 3.949 1.00 0.00 O ATOM 0 H GLU A 110 -8.265 -12.278 7.762 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.521 -13.285 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.065 -13.597 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.703 -11.969 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.326 -11.181 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.816 -12.822 6.038 1.00 0.00 H new ATOM 1817 N SER A 111 -4.653 -10.984 8.679 1.00 0.00 N ATOM 1818 CA SER A 111 -4.209 -9.710 9.234 1.00 0.00 C ATOM 1819 C SER A 111 -2.800 -9.374 8.747 1.00 0.00 C ATOM 1820 O SER A 111 -1.826 -9.486 9.495 1.00 0.00 O ATOM 1821 CB SER A 111 -4.240 -9.758 10.764 1.00 0.00 C ATOM 1822 OG SER A 111 -4.243 -8.454 11.317 1.00 0.00 O ATOM 0 H SER A 111 -3.924 -11.696 8.637 1.00 0.00 H new ATOM 0 HA SER A 111 -4.889 -8.930 8.892 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.126 -10.299 11.096 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.374 -10.310 11.131 1.00 0.00 H new ATOM 0 HG SER A 111 -4.265 -8.513 12.295 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.702 -8.960 7.487 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.418 -8.604 6.894 1.00 0.00 C ATOM 1830 C TYR A 112 -1.408 -7.136 6.487 1.00 0.00 C ATOM 1831 O TYR A 112 -2.214 -6.705 5.663 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.130 -9.489 5.678 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.424 -10.783 6.018 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -1.131 -11.892 6.463 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.955 -10.897 5.886 1.00 0.00 C ATOM 1836 CE1 TYR A 112 -0.487 -13.074 6.772 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.607 -12.076 6.193 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.881 -13.162 6.631 1.00 0.00 C ATOM 1839 OH TYR A 112 1.527 -14.339 6.935 1.00 0.00 O ATOM 0 H TYR A 112 -3.498 -8.863 6.857 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.638 -8.765 7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.070 -9.720 5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.520 -8.929 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.204 -11.829 6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.527 -10.050 5.538 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.052 -13.925 7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.680 -12.146 6.090 1.00 0.00 H new ATOM 0 HH TYR A 112 2.489 -14.234 6.780 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.497 -6.369 7.073 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.395 -4.944 6.775 1.00 0.00 C ATOM 1851 C GLU A 113 0.958 -4.377 7.203 1.00 0.00 C ATOM 1852 O GLU A 113 1.632 -4.939 8.071 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.533 -4.186 7.466 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.395 -4.100 8.981 1.00 0.00 C ATOM 1855 CD GLU A 113 -1.147 -2.686 9.472 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -0.211 -2.033 8.964 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -1.890 -2.230 10.367 1.00 0.00 O ATOM 0 H GLU A 113 0.181 -6.708 7.756 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.479 -4.816 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.582 -3.176 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.478 -4.673 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.302 -4.487 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.574 -4.740 9.303 1.00 0.00 H new ATOM 1864 N VAL A 114 1.349 -3.260 6.588 1.00 0.00 N ATOM 1865 CA VAL A 114 2.622 -2.611 6.904 1.00 0.00 C ATOM 1866 C VAL A 114 2.466 -1.093 6.987 1.00 0.00 C ATOM 1867 O VAL A 114 1.534 -0.518 6.419 1.00 0.00 O ATOM 1868 CB VAL A 114 3.711 -2.936 5.858 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.025 -4.425 5.842 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.293 -2.454 4.473 1.00 0.00 C ATOM 0 H VAL A 114 0.803 -2.786 5.869 1.00 0.00 H new ATOM 0 HA VAL A 114 2.930 -3.003 7.873 1.00 0.00 H new ATOM 0 HB VAL A 114 4.619 -2.405 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.795 -4.627 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.382 -4.732 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 114 3.123 -4.984 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.075 -2.694 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.367 -2.948 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.138 -1.375 4.495 1.00 0.00 H new ATOM 1880 N GLU A 115 3.400 -0.453 7.690 1.00 0.00 N ATOM 1881 CA GLU A 115 3.391 0.998 7.845 1.00 0.00 C ATOM 1882 C GLU A 115 4.817 1.543 7.824 1.00 0.00 C ATOM 1883 O GLU A 115 5.586 1.337 8.766 1.00 0.00 O ATOM 1884 CB GLU A 115 2.690 1.390 9.149 1.00 0.00 C ATOM 1885 CG GLU A 115 1.211 1.033 9.177 1.00 0.00 C ATOM 1886 CD GLU A 115 0.380 2.019 9.976 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.418 1.954 11.223 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.309 2.854 9.354 1.00 0.00 O ATOM 0 H GLU A 115 4.174 -0.920 8.162 1.00 0.00 H new ATOM 0 HA GLU A 115 2.841 1.433 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.190 0.897 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.799 2.464 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.833 0.991 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.091 0.036 9.602 1.00 0.00 H new ATOM 1895 N HIS A 116 5.167 2.234 6.740 1.00 0.00 N ATOM 1896 CA HIS A 116 6.503 2.805 6.586 1.00 0.00 C ATOM 1897 C HIS A 116 6.453 4.331 6.596 1.00 0.00 C ATOM 1898 O HIS A 116 5.461 4.930 6.179 1.00 0.00 O ATOM 1899 CB HIS A 116 7.143 2.314 5.284 1.00 0.00 C ATOM 1900 CG HIS A 116 8.279 1.363 5.499 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.101 0.006 5.674 1.00 0.00 N ATOM 1902 CD2 HIS A 116 9.613 1.577 5.569 1.00 0.00 C ATOM 1903 CE1 HIS A 116 9.277 -0.570 5.845 1.00 0.00 C ATOM 1904 NE2 HIS A 116 10.212 0.362 5.785 1.00 0.00 N ATOM 0 H HIS A 116 4.542 2.412 5.954 1.00 0.00 H new ATOM 0 HA HIS A 116 7.108 2.475 7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.381 1.826 4.675 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.501 3.174 4.718 1.00 0.00 H new ATOM 0 HD1 HIS A 116 7.202 -0.476 5.672 1.00 0.00 H new ATOM 0 HD2 HIS A 116 10.114 2.529 5.473 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.446 -1.624 6.007 1.00 0.00 H new ATOM 1913 N VAL A 117 7.532 4.950 7.072 1.00 0.00 N ATOM 1914 CA VAL A 117 7.615 6.408 7.138 1.00 0.00 C ATOM 1915 C VAL A 117 8.849 6.926 6.397 1.00 0.00 C ATOM 1916 O VAL A 117 9.948 6.389 6.550 1.00 0.00 O ATOM 1917 CB VAL A 117 7.647 6.904 8.601 1.00 0.00 C ATOM 1918 CG1 VAL A 117 8.886 6.390 9.323 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.580 8.425 8.653 1.00 0.00 C ATOM 0 H VAL A 117 8.360 4.465 7.417 1.00 0.00 H new ATOM 0 HA VAL A 117 6.721 6.800 6.654 1.00 0.00 H new ATOM 0 HB VAL A 117 6.771 6.506 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 117 8.885 6.753 10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.881 5.300 9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.780 6.749 8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.604 8.755 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.432 8.845 8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.656 8.765 8.185 1.00 0.00 H new ATOM 1929 N ILE A 118 8.656 7.975 5.599 1.00 0.00 N ATOM 1930 CA ILE A 118 9.748 8.573 4.836 1.00 0.00 C ATOM 1931 C ILE A 118 9.752 10.092 5.001 1.00 0.00 C ATOM 1932 O ILE A 118 8.853 10.778 4.515 1.00 0.00 O ATOM 1933 CB ILE A 118 9.644 8.229 3.334 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.470 6.720 3.134 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.875 8.727 2.590 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.043 6.309 2.842 1.00 0.00 C ATOM 0 H ILE A 118 7.752 8.428 5.465 1.00 0.00 H new ATOM 0 HA ILE A 118 10.677 8.159 5.227 1.00 0.00 H new ATOM 0 HB ILE A 118 8.766 8.730 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.108 6.395 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.813 6.201 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.787 8.477 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.955 9.808 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.766 8.253 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.995 5.228 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.402 6.603 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.702 6.800 1.930 1.00 0.00 H new ATOM 1948 N GLN A 119 10.767 10.614 5.689 1.00 0.00 N ATOM 1949 CA GLN A 119 10.879 12.054 5.915 1.00 0.00 C ATOM 1950 C GLN A 119 12.267 12.565 5.539 1.00 0.00 C ATOM 1951 O GLN A 119 13.273 11.914 5.823 1.00 0.00 O ATOM 1952 CB GLN A 119 10.579 12.388 7.380 1.00 0.00 C ATOM 1953 CG GLN A 119 11.538 11.738 8.369 1.00 0.00 C ATOM 1954 CD GLN A 119 10.832 11.169 9.585 1.00 0.00 C ATOM 1955 OE1 GLN A 119 9.760 10.572 9.475 1.00 0.00 O ATOM 1956 NE2 GLN A 119 11.429 11.351 10.758 1.00 0.00 N ATOM 0 H GLN A 119 11.521 10.063 6.098 1.00 0.00 H new ATOM 0 HA GLN A 119 10.147 12.550 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.615 13.470 7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 119 9.562 12.072 7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.086 10.941 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 119 12.273 12.475 8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 119 12.317 11.851 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.000 10.991 11.610 1.00 0.00 H new ATOM 1965 N ILE A 120 12.314 13.736 4.906 1.00 0.00 N ATOM 1966 CA ILE A 120 13.583 14.333 4.500 1.00 0.00 C ATOM 1967 C ILE A 120 13.390 15.786 4.041 1.00 0.00 C ATOM 1968 O ILE A 120 13.475 16.100 2.852 1.00 0.00 O ATOM 1969 CB ILE A 120 14.268 13.496 3.388 1.00 0.00 C ATOM 1970 CG1 ILE A 120 15.642 14.081 3.037 1.00 0.00 C ATOM 1971 CG2 ILE A 120 13.384 13.401 2.150 1.00 0.00 C ATOM 1972 CD1 ILE A 120 16.703 13.803 4.081 1.00 0.00 C ATOM 0 H ILE A 120 11.491 14.288 4.664 1.00 0.00 H new ATOM 0 HA ILE A 120 14.237 14.336 5.372 1.00 0.00 H new ATOM 0 HB ILE A 120 14.416 12.486 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 120 15.969 13.672 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 120 15.546 15.159 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 120 13.889 12.809 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 120 12.440 12.925 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.190 14.402 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 120 17.648 14.246 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 120 16.398 14.236 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 120 16.827 12.726 4.196 1.00 0.00 H new ATOM 1984 N PRO A 121 13.126 16.697 4.997 1.00 0.00 N ATOM 1985 CA PRO A 121 12.923 18.122 4.701 1.00 0.00 C ATOM 1986 C PRO A 121 14.215 18.817 4.275 1.00 0.00 C ATOM 1987 O PRO A 121 15.310 18.388 4.647 1.00 0.00 O ATOM 1988 CB PRO A 121 12.429 18.694 6.031 1.00 0.00 C ATOM 1989 CG PRO A 121 12.976 17.773 7.066 1.00 0.00 C ATOM 1990 CD PRO A 121 13.004 16.407 6.439 1.00 0.00 C ATOM 0 HA PRO A 121 12.231 18.269 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.785 19.713 6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.340 18.728 6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.976 18.081 7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.353 17.778 7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.844 15.815 6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.097 15.844 6.661 1.00 0.00 H new