USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=14 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= -1.14 X(o=-0.97,f=-0.91) USER MOD Set 1.2: A 66 ASN : amide:sc= 0.168 K(o=-0.97,f=-2) USER MOD Single : A 4 THR OG1 : rot -14:sc= 0.457 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 43:sc= 0.852 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc= -0.171 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.2!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.634 X(o=-0.63,f=-0.59) USER MOD Single : A 33 SER OG : rot 41:sc= -0.623 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -132:sc= 0.816 (180deg=-1.33!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -70:sc= -0.199 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.0063) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.638 F(o=-1.3,f=-0.64) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.0774 F(o=-0.76,f=-0.077) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 10.332 21.052 3.196 1.00 0.00 N ATOM 47 CA THR A 4 10.164 19.893 4.072 1.00 0.00 C ATOM 48 C THR A 4 9.392 18.788 3.358 1.00 0.00 C ATOM 49 O THR A 4 8.570 19.060 2.481 1.00 0.00 O ATOM 50 CB THR A 4 9.431 20.280 5.367 1.00 0.00 C ATOM 51 OG1 THR A 4 8.508 21.335 5.143 1.00 0.00 O ATOM 52 CG2 THR A 4 10.362 20.706 6.482 1.00 0.00 C ATOM 0 HA THR A 4 11.158 19.527 4.329 1.00 0.00 H new ATOM 0 HB THR A 4 8.913 19.372 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.687 21.746 4.272 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.778 20.965 7.365 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.040 19.887 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.940 21.573 6.162 1.00 0.00 H new ATOM 60 N VAL A 5 9.658 17.540 3.740 1.00 0.00 N ATOM 61 CA VAL A 5 8.982 16.397 3.135 1.00 0.00 C ATOM 62 C VAL A 5 8.583 15.372 4.195 1.00 0.00 C ATOM 63 O VAL A 5 9.437 14.822 4.892 1.00 0.00 O ATOM 64 CB VAL A 5 9.864 15.712 2.071 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.090 14.616 1.353 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.397 16.735 1.076 1.00 0.00 C ATOM 0 H VAL A 5 10.335 17.297 4.463 1.00 0.00 H new ATOM 0 HA VAL A 5 8.085 16.782 2.650 1.00 0.00 H new ATOM 0 HB VAL A 5 10.713 15.252 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.731 14.147 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.765 13.867 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.218 15.048 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.017 16.232 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.562 17.227 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.994 17.479 1.604 1.00 0.00 H new ATOM 76 N LYS A 6 7.279 15.120 4.299 1.00 0.00 N ATOM 77 CA LYS A 6 6.751 14.159 5.265 1.00 0.00 C ATOM 78 C LYS A 6 5.804 13.174 4.581 1.00 0.00 C ATOM 79 O LYS A 6 4.671 13.520 4.242 1.00 0.00 O ATOM 80 CB LYS A 6 6.022 14.888 6.400 1.00 0.00 C ATOM 81 CG LYS A 6 6.956 15.574 7.386 1.00 0.00 C ATOM 82 CD LYS A 6 6.188 16.215 8.532 1.00 0.00 C ATOM 83 CE LYS A 6 6.786 17.557 8.927 1.00 0.00 C ATOM 84 NZ LYS A 6 5.985 18.239 9.982 1.00 0.00 N ATOM 0 H LYS A 6 6.567 15.570 3.724 1.00 0.00 H new ATOM 0 HA LYS A 6 7.588 13.602 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.352 15.632 5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.401 14.173 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.664 14.847 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.539 16.335 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.147 16.352 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.193 15.546 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.805 17.408 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.848 18.199 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.428 19.149 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.020 18.405 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.947 17.639 10.831 1.00 0.00 H new ATOM 98 N ARG A 7 6.282 11.947 4.379 1.00 0.00 N ATOM 99 CA ARG A 7 5.486 10.905 3.733 1.00 0.00 C ATOM 100 C ARG A 7 5.374 9.667 4.623 1.00 0.00 C ATOM 101 O ARG A 7 6.140 9.501 5.573 1.00 0.00 O ATOM 102 CB ARG A 7 6.106 10.528 2.383 1.00 0.00 C ATOM 103 CG ARG A 7 6.056 11.651 1.356 1.00 0.00 C ATOM 104 CD ARG A 7 6.848 11.303 0.105 1.00 0.00 C ATOM 105 NE ARG A 7 7.547 12.465 -0.443 1.00 0.00 N ATOM 106 CZ ARG A 7 8.584 12.390 -1.280 1.00 0.00 C ATOM 107 NH1 ARG A 7 9.037 11.210 -1.696 1.00 0.00 N ATOM 108 NH2 ARG A 7 9.169 13.503 -1.709 1.00 0.00 N ATOM 0 H ARG A 7 7.218 11.650 4.654 1.00 0.00 H new ATOM 0 HA ARG A 7 4.483 11.298 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.144 10.235 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.585 9.658 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.019 11.852 1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.454 12.565 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.572 10.522 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.174 10.897 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 7 7.221 13.392 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.591 10.351 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.830 11.165 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.826 14.412 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.962 13.449 -2.349 1.00 0.00 H new ATOM 122 N THR A 8 4.408 8.804 4.309 1.00 0.00 N ATOM 123 CA THR A 8 4.181 7.579 5.076 1.00 0.00 C ATOM 124 C THR A 8 3.415 6.552 4.243 1.00 0.00 C ATOM 125 O THR A 8 2.534 6.913 3.461 1.00 0.00 O ATOM 126 CB THR A 8 3.415 7.892 6.371 1.00 0.00 C ATOM 127 OG1 THR A 8 2.985 6.700 7.008 1.00 0.00 O ATOM 128 CG2 THR A 8 2.192 8.758 6.154 1.00 0.00 C ATOM 0 H THR A 8 3.768 8.931 3.525 1.00 0.00 H new ATOM 0 HA THR A 8 5.151 7.155 5.336 1.00 0.00 H new ATOM 0 HB THR A 8 4.124 8.439 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.710 6.041 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.700 8.939 7.110 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.493 9.709 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.501 8.250 5.481 1.00 0.00 H new ATOM 136 N ILE A 9 3.752 5.274 4.419 1.00 0.00 N ATOM 137 CA ILE A 9 3.093 4.196 3.687 1.00 0.00 C ATOM 138 C ILE A 9 2.317 3.288 4.641 1.00 0.00 C ATOM 139 O ILE A 9 2.882 2.736 5.587 1.00 0.00 O ATOM 140 CB ILE A 9 4.105 3.356 2.868 1.00 0.00 C ATOM 141 CG1 ILE A 9 3.370 2.330 1.999 1.00 0.00 C ATOM 142 CG2 ILE A 9 5.111 2.665 3.782 1.00 0.00 C ATOM 143 CD1 ILE A 9 3.128 2.797 0.580 1.00 0.00 C ATOM 0 H ILE A 9 4.478 4.961 5.063 1.00 0.00 H new ATOM 0 HA ILE A 9 2.396 4.661 2.990 1.00 0.00 H new ATOM 0 HB ILE A 9 4.656 4.032 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.949 1.407 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.412 2.094 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.809 2.083 3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.660 3.415 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.584 2.003 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.604 2.019 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.523 3.703 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.083 3.006 0.098 1.00 0.00 H new ATOM 155 N ARG A 10 1.016 3.148 4.392 1.00 0.00 N ATOM 156 CA ARG A 10 0.160 2.316 5.231 1.00 0.00 C ATOM 157 C ARG A 10 -0.739 1.420 4.379 1.00 0.00 C ATOM 158 O ARG A 10 -1.704 1.892 3.773 1.00 0.00 O ATOM 159 CB ARG A 10 -0.695 3.196 6.151 1.00 0.00 C ATOM 160 CG ARG A 10 0.106 4.253 6.902 1.00 0.00 C ATOM 161 CD ARG A 10 -0.597 4.698 8.176 1.00 0.00 C ATOM 162 NE ARG A 10 0.355 5.014 9.242 1.00 0.00 N ATOM 163 CZ ARG A 10 0.046 5.035 10.543 1.00 0.00 C ATOM 164 NH1 ARG A 10 -1.195 4.781 10.950 1.00 0.00 N ATOM 165 NH2 ARG A 10 0.984 5.316 11.440 1.00 0.00 N ATOM 0 H ARG A 10 0.533 3.601 3.616 1.00 0.00 H new ATOM 0 HA ARG A 10 0.800 1.678 5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.464 3.689 5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.209 2.561 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.090 3.855 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.265 5.116 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.210 5.574 7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.271 3.911 8.513 1.00 0.00 H new ATOM 0 HE ARG A 10 1.315 5.232 8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.922 4.567 10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.419 4.800 11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.937 5.515 11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.751 5.333 12.433 1.00 0.00 H new ATOM 179 N ILE A 11 -0.419 0.125 4.339 1.00 0.00 N ATOM 180 CA ILE A 11 -1.201 -0.841 3.563 1.00 0.00 C ATOM 181 C ILE A 11 -1.910 -1.830 4.486 1.00 0.00 C ATOM 182 O ILE A 11 -1.273 -2.496 5.304 1.00 0.00 O ATOM 183 CB ILE A 11 -0.323 -1.617 2.553 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.900 -2.231 3.247 1.00 0.00 C ATOM 185 CG2 ILE A 11 0.112 -0.703 1.413 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.111 -3.695 2.928 1.00 0.00 C ATOM 0 H ILE A 11 0.376 -0.279 4.834 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.942 -0.271 3.003 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.920 -2.430 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.790 -1.673 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.790 -2.116 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.729 -1.265 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.769 -0.321 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.687 0.131 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.993 -4.059 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.238 -4.266 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.253 -3.817 1.854 1.00 0.00 H new ATOM 198 N LYS A 12 -3.237 -1.909 4.361 1.00 0.00 N ATOM 199 CA LYS A 12 -4.040 -2.806 5.193 1.00 0.00 C ATOM 200 C LYS A 12 -4.697 -3.901 4.358 1.00 0.00 C ATOM 201 O LYS A 12 -5.414 -3.615 3.397 1.00 0.00 O ATOM 202 CB LYS A 12 -5.113 -2.008 5.939 1.00 0.00 C ATOM 203 CG LYS A 12 -4.598 -1.293 7.178 1.00 0.00 C ATOM 204 CD LYS A 12 -3.707 -0.112 6.821 1.00 0.00 C ATOM 205 CE LYS A 12 -3.446 0.772 8.028 1.00 0.00 C ATOM 206 NZ LYS A 12 -4.434 1.885 8.133 1.00 0.00 N ATOM 0 H LYS A 12 -3.778 -1.362 3.691 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.374 -3.282 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.543 -1.272 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.918 -2.683 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.442 -0.944 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.040 -1.995 7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.760 -0.476 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.178 0.476 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.484 0.168 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.440 1.186 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.218 2.463 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.381 2.478 7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.392 1.491 8.222 1.00 0.00 H new ATOM 220 N THR A 13 -4.446 -5.157 4.732 1.00 0.00 N ATOM 221 CA THR A 13 -5.011 -6.303 4.023 1.00 0.00 C ATOM 222 C THR A 13 -5.778 -7.220 4.980 1.00 0.00 C ATOM 223 O THR A 13 -5.176 -7.911 5.806 1.00 0.00 O ATOM 224 CB THR A 13 -3.903 -7.091 3.317 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.992 -6.218 2.671 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.426 -8.058 2.274 1.00 0.00 C ATOM 0 H THR A 13 -3.853 -5.405 5.524 1.00 0.00 H new ATOM 0 HA THR A 13 -5.710 -5.925 3.277 1.00 0.00 H new ATOM 0 HB THR A 13 -3.411 -7.660 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.103 -6.629 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.590 -8.583 1.813 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.091 -8.780 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.974 -7.507 1.510 1.00 0.00 H new ATOM 234 N GLN A 14 -7.109 -7.221 4.862 1.00 0.00 N ATOM 235 CA GLN A 14 -7.962 -8.055 5.713 1.00 0.00 C ATOM 236 C GLN A 14 -8.714 -9.093 4.877 1.00 0.00 C ATOM 237 O GLN A 14 -9.143 -8.806 3.757 1.00 0.00 O ATOM 238 CB GLN A 14 -8.956 -7.180 6.485 1.00 0.00 C ATOM 239 CG GLN A 14 -9.111 -7.568 7.947 1.00 0.00 C ATOM 240 CD GLN A 14 -9.964 -6.583 8.726 1.00 0.00 C ATOM 241 OE1 GLN A 14 -11.152 -6.819 8.952 1.00 0.00 O ATOM 242 NE2 GLN A 14 -9.363 -5.473 9.140 1.00 0.00 N ATOM 0 H GLN A 14 -7.619 -6.653 4.185 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.326 -8.582 6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.632 -6.141 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.930 -7.237 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.559 -8.560 8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.125 -7.633 8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.377 -5.318 8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.888 -4.775 9.668 1.00 0.00 H new ATOM 251 N GLN A 15 -8.871 -10.304 5.423 1.00 0.00 N ATOM 252 CA GLN A 15 -9.572 -11.383 4.720 1.00 0.00 C ATOM 253 C GLN A 15 -10.415 -12.218 5.684 1.00 0.00 C ATOM 254 O GLN A 15 -9.999 -12.481 6.812 1.00 0.00 O ATOM 255 CB GLN A 15 -8.563 -12.286 3.997 1.00 0.00 C ATOM 256 CG GLN A 15 -9.179 -13.540 3.387 1.00 0.00 C ATOM 257 CD GLN A 15 -8.785 -13.745 1.936 1.00 0.00 C ATOM 258 OE1 GLN A 15 -8.269 -14.799 1.564 1.00 0.00 O ATOM 259 NE2 GLN A 15 -9.028 -12.737 1.103 1.00 0.00 N ATOM 0 H GLN A 15 -8.523 -10.561 6.347 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.240 -10.927 3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.077 -11.712 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.785 -12.581 4.701 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.872 -14.409 3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.265 -13.477 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.457 -11.880 1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.785 -12.821 0.116 1.00 0.00 H new ATOM 268 N HIS A 16 -11.596 -12.646 5.235 1.00 0.00 N ATOM 269 CA HIS A 16 -12.475 -13.464 6.073 1.00 0.00 C ATOM 270 C HIS A 16 -13.022 -14.662 5.294 1.00 0.00 C ATOM 271 O HIS A 16 -13.721 -14.495 4.295 1.00 0.00 O ATOM 272 CB HIS A 16 -13.631 -12.616 6.609 1.00 0.00 C ATOM 273 CG HIS A 16 -14.568 -13.371 7.502 1.00 0.00 C ATOM 274 ND1 HIS A 16 -14.280 -13.671 8.818 1.00 0.00 N ATOM 275 CD2 HIS A 16 -15.796 -13.890 7.260 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.289 -14.339 9.345 1.00 0.00 C ATOM 277 NE2 HIS A 16 -16.221 -14.485 8.422 1.00 0.00 N ATOM 0 H HIS A 16 -11.964 -12.443 4.305 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.888 -13.842 6.910 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.223 -11.768 7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -14.193 -12.210 5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.339 -13.844 6.327 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.343 -14.704 10.360 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -17.113 -14.963 8.551 1.00 0.00 H new ATOM 286 N ILE A 17 -12.710 -15.870 5.767 1.00 0.00 N ATOM 287 CA ILE A 17 -13.180 -17.095 5.118 1.00 0.00 C ATOM 288 C ILE A 17 -14.057 -17.910 6.067 1.00 0.00 C ATOM 289 O ILE A 17 -13.754 -18.026 7.256 1.00 0.00 O ATOM 290 CB ILE A 17 -12.005 -17.974 4.634 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.903 -17.113 4.001 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.495 -19.023 3.643 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.655 -17.894 3.639 1.00 0.00 C ATOM 0 H ILE A 17 -12.135 -16.026 6.595 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.766 -16.789 4.251 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.584 -18.484 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.297 -16.637 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.634 -16.315 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.654 -19.633 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.238 -19.659 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.944 -18.528 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.920 -17.221 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.237 -18.348 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.909 -18.675 2.922 1.00 0.00 H new ATOM 476 N VAL A 29 -17.322 -19.104 0.504 1.00 0.00 N ATOM 477 CA VAL A 29 -16.934 -17.776 0.028 1.00 0.00 C ATOM 478 C VAL A 29 -16.001 -17.082 1.023 1.00 0.00 C ATOM 479 O VAL A 29 -16.085 -17.316 2.232 1.00 0.00 O ATOM 480 CB VAL A 29 -18.173 -16.880 -0.209 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.778 -15.575 -0.882 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.223 -17.610 -1.034 1.00 0.00 C ATOM 0 HA VAL A 29 -16.410 -17.920 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.606 -16.646 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.666 -14.963 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.073 -15.037 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.311 -15.788 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.084 -16.959 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.800 -17.885 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.538 -18.510 -0.507 1.00 0.00 H new ATOM 492 N ARG A 30 -15.118 -16.222 0.507 1.00 0.00 N ATOM 493 CA ARG A 30 -14.174 -15.486 1.351 1.00 0.00 C ATOM 494 C ARG A 30 -14.271 -13.975 1.109 1.00 0.00 C ATOM 495 O ARG A 30 -14.839 -13.528 0.112 1.00 0.00 O ATOM 496 CB ARG A 30 -12.736 -15.966 1.111 1.00 0.00 C ATOM 497 CG ARG A 30 -12.360 -16.113 -0.357 1.00 0.00 C ATOM 498 CD ARG A 30 -12.443 -17.563 -0.810 1.00 0.00 C ATOM 499 NE ARG A 30 -11.525 -17.852 -1.911 1.00 0.00 N ATOM 500 CZ ARG A 30 -11.128 -19.081 -2.249 1.00 0.00 C ATOM 501 NH1 ARG A 30 -11.570 -20.145 -1.581 1.00 0.00 N ATOM 502 NH2 ARG A 30 -10.286 -19.248 -3.264 1.00 0.00 N ATOM 0 H ARG A 30 -15.038 -16.019 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.441 -15.684 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.048 -15.264 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.599 -16.927 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.025 -15.501 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.348 -15.739 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.216 -18.218 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.463 -17.786 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.166 -17.067 -2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.218 -20.025 -0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.260 -21.079 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.945 -18.438 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.981 -20.186 -3.525 1.00 0.00 H new ATOM 516 N GLN A 31 -13.712 -13.197 2.037 1.00 0.00 N ATOM 517 CA GLN A 31 -13.730 -11.739 1.945 1.00 0.00 C ATOM 518 C GLN A 31 -12.314 -11.185 1.832 1.00 0.00 C ATOM 519 O GLN A 31 -11.350 -11.842 2.221 1.00 0.00 O ATOM 520 CB GLN A 31 -14.419 -11.138 3.172 1.00 0.00 C ATOM 521 CG GLN A 31 -15.775 -10.526 2.867 1.00 0.00 C ATOM 522 CD GLN A 31 -16.700 -10.519 4.071 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.156 -9.463 4.510 1.00 0.00 O ATOM 524 NE2 GLN A 31 -16.986 -11.701 4.611 1.00 0.00 N ATOM 0 H GLN A 31 -13.239 -13.557 2.866 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.286 -11.465 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.541 -11.915 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.773 -10.373 3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.637 -9.504 2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.246 -11.082 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.587 -12.552 4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.605 -11.756 5.420 1.00 0.00 H new ATOM 533 N TRP A 32 -12.201 -9.971 1.303 1.00 0.00 N ATOM 534 CA TRP A 32 -10.902 -9.324 1.143 1.00 0.00 C ATOM 535 C TRP A 32 -11.037 -7.803 1.138 1.00 0.00 C ATOM 536 O TRP A 32 -11.968 -7.253 0.549 1.00 0.00 O ATOM 537 CB TRP A 32 -10.219 -9.794 -0.147 1.00 0.00 C ATOM 538 CG TRP A 32 -10.970 -9.437 -1.395 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.875 -10.216 -2.057 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.880 -8.211 -2.134 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.354 -9.550 -3.159 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.758 -8.319 -3.229 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.145 -7.031 -1.974 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -11.917 -7.294 -4.160 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.304 -6.015 -2.899 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.185 -6.154 -3.979 1.00 0.00 C ATOM 0 H TRP A 32 -12.992 -9.415 0.978 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.285 -9.610 1.995 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.221 -9.359 -0.198 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.093 -10.876 -0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.171 -11.211 -1.758 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.042 -9.914 -3.818 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.465 -6.916 -1.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.595 -7.397 -4.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.740 -5.101 -2.787 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.288 -5.343 -4.684 1.00 0.00 H new ATOM 557 N SER A 33 -10.091 -7.134 1.790 1.00 0.00 N ATOM 558 CA SER A 33 -10.083 -5.679 1.859 1.00 0.00 C ATOM 559 C SER A 33 -8.650 -5.161 1.786 1.00 0.00 C ATOM 560 O SER A 33 -7.829 -5.459 2.655 1.00 0.00 O ATOM 561 CB SER A 33 -10.756 -5.199 3.147 1.00 0.00 C ATOM 562 OG SER A 33 -10.051 -5.644 4.295 1.00 0.00 O ATOM 0 H SER A 33 -9.316 -7.581 2.280 1.00 0.00 H new ATOM 0 HA SER A 33 -10.644 -5.286 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.807 -4.110 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.782 -5.567 3.183 1.00 0.00 H new ATOM 0 HG SER A 33 -9.087 -5.564 4.138 1.00 0.00 H new ATOM 568 N ILE A 34 -8.351 -4.392 0.741 1.00 0.00 N ATOM 569 CA ILE A 34 -7.012 -3.846 0.561 1.00 0.00 C ATOM 570 C ILE A 34 -7.050 -2.334 0.349 1.00 0.00 C ATOM 571 O ILE A 34 -7.765 -1.834 -0.523 1.00 0.00 O ATOM 572 CB ILE A 34 -6.278 -4.523 -0.622 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.843 -3.996 -0.739 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.039 -4.312 -1.927 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.972 -4.337 0.452 1.00 0.00 C ATOM 0 H ILE A 34 -9.015 -4.135 0.011 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.460 -4.055 1.477 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.235 -5.594 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.387 -4.405 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.871 -2.913 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.503 -4.797 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.036 -4.744 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.122 -3.245 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.972 -3.932 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.404 -3.905 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.912 -5.420 0.561 1.00 0.00 H new ATOM 587 N GLU A 35 -6.270 -1.612 1.154 1.00 0.00 N ATOM 588 CA GLU A 35 -6.204 -0.158 1.061 1.00 0.00 C ATOM 589 C GLU A 35 -4.750 0.314 1.005 1.00 0.00 C ATOM 590 O GLU A 35 -3.903 -0.167 1.760 1.00 0.00 O ATOM 591 CB GLU A 35 -6.931 0.492 2.242 1.00 0.00 C ATOM 592 CG GLU A 35 -6.392 0.084 3.608 1.00 0.00 C ATOM 593 CD GLU A 35 -6.508 1.185 4.650 1.00 0.00 C ATOM 594 OE1 GLU A 35 -6.234 2.357 4.317 1.00 0.00 O ATOM 595 OE2 GLU A 35 -6.868 0.874 5.804 1.00 0.00 O ATOM 0 H GLU A 35 -5.675 -2.014 1.878 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.701 0.147 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.862 1.575 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.989 0.234 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.932 -0.796 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.345 -0.204 3.508 1.00 0.00 H new ATOM 602 N ILE A 36 -4.472 1.250 0.098 1.00 0.00 N ATOM 603 CA ILE A 36 -3.124 1.782 -0.069 1.00 0.00 C ATOM 604 C ILE A 36 -3.073 3.267 0.283 1.00 0.00 C ATOM 605 O ILE A 36 -3.551 4.108 -0.479 1.00 0.00 O ATOM 606 CB ILE A 36 -2.628 1.588 -1.521 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.805 0.132 -1.964 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.170 2.009 -1.649 1.00 0.00 C ATOM 609 CD1 ILE A 36 -4.146 -0.149 -2.610 1.00 0.00 C ATOM 0 H ILE A 36 -5.165 1.655 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.473 1.231 0.609 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.229 2.221 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.012 -0.124 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.685 -0.519 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.839 1.865 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.070 3.060 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.556 1.403 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.199 -1.199 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.945 0.074 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.261 0.476 -3.496 1.00 0.00 H new ATOM 621 N VAL A 37 -2.485 3.583 1.436 1.00 0.00 N ATOM 622 CA VAL A 37 -2.368 4.969 1.883 1.00 0.00 C ATOM 623 C VAL A 37 -0.939 5.483 1.705 1.00 0.00 C ATOM 624 O VAL A 37 0.027 4.752 1.937 1.00 0.00 O ATOM 625 CB VAL A 37 -2.780 5.130 3.362 1.00 0.00 C ATOM 626 CG1 VAL A 37 -2.826 6.602 3.753 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.122 4.464 3.629 1.00 0.00 C ATOM 0 H VAL A 37 -2.083 2.898 2.076 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.047 5.556 1.264 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.027 4.635 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.119 6.692 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.841 7.047 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.552 7.122 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.389 4.592 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.887 4.922 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.053 3.401 3.399 1.00 0.00 H new ATOM 637 N LEU A 38 -0.819 6.744 1.286 1.00 0.00 N ATOM 638 CA LEU A 38 0.486 7.367 1.065 1.00 0.00 C ATOM 639 C LEU A 38 0.382 8.893 1.093 1.00 0.00 C ATOM 640 O LEU A 38 -0.704 9.454 0.937 1.00 0.00 O ATOM 641 CB LEU A 38 1.061 6.911 -0.275 1.00 0.00 C ATOM 642 CG LEU A 38 0.124 7.095 -1.470 1.00 0.00 C ATOM 643 CD1 LEU A 38 0.570 8.273 -2.324 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.053 5.817 -2.293 1.00 0.00 C ATOM 0 H LEU A 38 -1.613 7.355 1.093 1.00 0.00 H new ATOM 0 HA LEU A 38 1.151 7.056 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.982 7.461 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.329 5.857 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.877 7.312 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.109 8.388 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.559 9.183 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.580 8.094 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.618 5.966 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.048 5.564 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.322 5.004 -1.671 1.00 0.00 H new ATOM 656 N LEU A 39 1.524 9.559 1.286 1.00 0.00 N ATOM 657 CA LEU A 39 1.568 11.023 1.329 1.00 0.00 C ATOM 658 C LEU A 39 2.491 11.580 0.249 1.00 0.00 C ATOM 659 O LEU A 39 3.363 10.875 -0.263 1.00 0.00 O ATOM 660 CB LEU A 39 2.038 11.508 2.707 1.00 0.00 C ATOM 661 CG LEU A 39 0.934 12.031 3.632 1.00 0.00 C ATOM 662 CD1 LEU A 39 0.072 13.061 2.919 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.081 10.877 4.142 1.00 0.00 C ATOM 0 H LEU A 39 2.430 9.108 1.415 1.00 0.00 H new ATOM 0 HA LEU A 39 0.558 11.388 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.549 10.686 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.773 12.300 2.563 1.00 0.00 H new ATOM 0 HG LEU A 39 1.404 12.519 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.704 13.417 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.693 13.900 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.391 12.605 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.699 11.263 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.377 10.362 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.708 10.178 4.696 1.00 0.00 H new ATOM 675 N ASP A 40 2.290 12.856 -0.084 1.00 0.00 N ATOM 676 CA ASP A 40 3.099 13.534 -1.099 1.00 0.00 C ATOM 677 C ASP A 40 2.763 15.024 -1.164 1.00 0.00 C ATOM 678 O ASP A 40 3.658 15.870 -1.209 1.00 0.00 O ATOM 679 CB ASP A 40 2.886 12.895 -2.473 1.00 0.00 C ATOM 680 CG ASP A 40 4.192 12.457 -3.104 1.00 0.00 C ATOM 681 OD1 ASP A 40 4.721 11.398 -2.704 1.00 0.00 O ATOM 682 OD2 ASP A 40 4.690 13.176 -3.996 1.00 0.00 O ATOM 0 H ASP A 40 1.570 13.444 0.337 1.00 0.00 H new ATOM 0 HA ASP A 40 4.146 13.426 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.225 12.034 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.387 13.607 -3.130 1.00 0.00 H new ATOM 687 N ASP A 41 1.465 15.336 -1.163 1.00 0.00 N ATOM 688 CA ASP A 41 0.999 16.721 -1.217 1.00 0.00 C ATOM 689 C ASP A 41 1.130 17.432 0.141 1.00 0.00 C ATOM 690 O ASP A 41 0.743 18.594 0.273 1.00 0.00 O ATOM 691 CB ASP A 41 -0.458 16.767 -1.695 1.00 0.00 C ATOM 692 CG ASP A 41 -0.879 18.149 -2.159 1.00 0.00 C ATOM 693 OD1 ASP A 41 -0.149 18.754 -2.973 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.942 18.626 -1.708 1.00 0.00 O ATOM 0 H ASP A 41 0.716 14.644 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 41 1.635 17.251 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.590 16.058 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.112 16.445 -0.885 1.00 0.00 H new ATOM 699 N GLU A 42 1.679 16.741 1.146 1.00 0.00 N ATOM 700 CA GLU A 42 1.857 17.329 2.471 1.00 0.00 C ATOM 701 C GLU A 42 3.140 18.156 2.534 1.00 0.00 C ATOM 702 O GLU A 42 3.186 19.194 3.195 1.00 0.00 O ATOM 703 CB GLU A 42 1.895 16.234 3.542 1.00 0.00 C ATOM 704 CG GLU A 42 0.617 16.135 4.361 1.00 0.00 C ATOM 705 CD GLU A 42 0.810 15.365 5.656 1.00 0.00 C ATOM 706 OE1 GLU A 42 1.710 15.735 6.443 1.00 0.00 O ATOM 707 OE2 GLU A 42 0.060 14.393 5.887 1.00 0.00 O ATOM 0 H GLU A 42 2.005 15.778 1.064 1.00 0.00 H new ATOM 0 HA GLU A 42 1.009 17.987 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.083 15.274 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.733 16.424 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.258 17.138 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.155 15.648 3.765 1.00 0.00 H new ATOM 714 N GLY A 43 4.182 17.686 1.841 1.00 0.00 N ATOM 715 CA GLY A 43 5.449 18.394 1.833 1.00 0.00 C ATOM 716 C GLY A 43 5.914 18.747 0.433 1.00 0.00 C ATOM 717 O GLY A 43 5.912 19.918 0.049 1.00 0.00 O ATOM 0 H GLY A 43 4.167 16.829 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.354 19.307 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.207 17.780 2.319 1.00 0.00 H new ATOM 721 N LYS A 44 6.321 17.731 -0.327 1.00 0.00 N ATOM 722 CA LYS A 44 6.800 17.931 -1.695 1.00 0.00 C ATOM 723 C LYS A 44 6.182 16.915 -2.654 1.00 0.00 C ATOM 724 O LYS A 44 6.345 15.706 -2.480 1.00 0.00 O ATOM 725 CB LYS A 44 8.326 17.830 -1.742 1.00 0.00 C ATOM 726 CG LYS A 44 8.983 18.941 -2.540 1.00 0.00 C ATOM 727 CD LYS A 44 10.441 19.121 -2.151 1.00 0.00 C ATOM 728 CE LYS A 44 11.220 19.860 -3.228 1.00 0.00 C ATOM 729 NZ LYS A 44 11.972 18.928 -4.115 1.00 0.00 N ATOM 0 H LYS A 44 6.329 16.759 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 44 6.495 18.928 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.715 17.846 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.605 16.869 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.915 18.715 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.444 19.874 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.503 19.673 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.895 18.145 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.532 20.455 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.917 20.555 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.488 19.474 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.647 18.377 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.306 18.281 -4.584 1.00 0.00 H new ATOM 743 N GLU A 45 5.476 17.419 -3.669 1.00 0.00 N ATOM 744 CA GLU A 45 4.832 16.560 -4.666 1.00 0.00 C ATOM 745 C GLU A 45 5.613 16.549 -5.986 1.00 0.00 C ATOM 746 O GLU A 45 5.031 16.380 -7.059 1.00 0.00 O ATOM 747 CB GLU A 45 3.387 17.022 -4.909 1.00 0.00 C ATOM 748 CG GLU A 45 3.269 18.433 -5.480 1.00 0.00 C ATOM 749 CD GLU A 45 2.357 18.508 -6.694 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.248 17.935 -6.645 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.752 19.147 -7.694 1.00 0.00 O ATOM 0 H GLU A 45 5.336 18.418 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 45 4.822 15.543 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.904 16.324 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.840 16.976 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.891 19.102 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.261 18.792 -5.755 1.00 0.00 H new ATOM 758 N ILE A 46 6.934 16.728 -5.903 1.00 0.00 N ATOM 759 CA ILE A 46 7.783 16.738 -7.092 1.00 0.00 C ATOM 760 C ILE A 46 8.960 15.769 -6.940 1.00 0.00 C ATOM 761 O ILE A 46 9.649 15.778 -5.917 1.00 0.00 O ATOM 762 CB ILE A 46 8.335 18.155 -7.382 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.209 19.195 -7.365 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.061 18.178 -8.721 1.00 0.00 C ATOM 765 CD1 ILE A 46 7.704 20.621 -7.234 1.00 0.00 C ATOM 0 H ILE A 46 7.436 16.867 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 46 7.158 16.421 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 46 9.045 18.411 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.627 19.104 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.535 18.975 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.443 19.181 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.891 17.472 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.369 17.898 -9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.853 21.302 -7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.261 20.729 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.354 20.859 -8.076 1.00 0.00 H new ATOM 777 N PRO A 47 9.205 14.920 -7.960 1.00 0.00 N ATOM 778 CA PRO A 47 10.304 13.944 -7.938 1.00 0.00 C ATOM 779 C PRO A 47 11.670 14.589 -8.191 1.00 0.00 C ATOM 780 O PRO A 47 11.789 15.814 -8.260 1.00 0.00 O ATOM 781 CB PRO A 47 9.944 12.994 -9.080 1.00 0.00 C ATOM 782 CG PRO A 47 9.186 13.840 -10.044 1.00 0.00 C ATOM 783 CD PRO A 47 8.428 14.843 -9.217 1.00 0.00 C ATOM 0 HA PRO A 47 10.400 13.459 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.837 12.570 -9.540 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.341 12.158 -8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.862 14.339 -10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.505 13.234 -10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.373 15.812 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.403 14.519 -9.035 1.00 0.00 H new ATOM 791 N ALA A 48 12.697 13.748 -8.336 1.00 0.00 N ATOM 792 CA ALA A 48 14.058 14.224 -8.590 1.00 0.00 C ATOM 793 C ALA A 48 14.904 13.154 -9.283 1.00 0.00 C ATOM 794 O ALA A 48 15.550 13.426 -10.295 1.00 0.00 O ATOM 795 CB ALA A 48 14.717 14.667 -7.292 1.00 0.00 C ATOM 0 H ALA A 48 12.611 12.733 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 48 13.992 15.081 -9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.728 15.018 -7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.136 15.475 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.759 13.826 -6.600 1.00 0.00 H new ATOM 801 N THR A 49 14.893 11.936 -8.735 1.00 0.00 N ATOM 802 CA THR A 49 15.657 10.827 -9.306 1.00 0.00 C ATOM 803 C THR A 49 14.718 9.781 -9.909 1.00 0.00 C ATOM 804 O THR A 49 14.727 9.555 -11.120 1.00 0.00 O ATOM 805 CB THR A 49 16.559 10.186 -8.242 1.00 0.00 C ATOM 806 OG1 THR A 49 17.178 11.179 -7.444 1.00 0.00 O ATOM 807 CG2 THR A 49 17.656 9.320 -8.826 1.00 0.00 C ATOM 0 H THR A 49 14.364 11.694 -7.897 1.00 0.00 H new ATOM 0 HA THR A 49 16.290 11.223 -10.101 1.00 0.00 H new ATOM 0 HB THR A 49 15.898 9.555 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.747 10.750 -6.771 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.255 8.899 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.211 8.512 -9.407 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.292 9.925 -9.472 1.00 0.00 H new ATOM 815 N ILE A 50 13.903 9.153 -9.059 1.00 0.00 N ATOM 816 CA ILE A 50 12.951 8.140 -9.512 1.00 0.00 C ATOM 817 C ILE A 50 11.551 8.425 -8.964 1.00 0.00 C ATOM 818 O ILE A 50 10.675 8.881 -9.699 1.00 0.00 O ATOM 819 CB ILE A 50 13.376 6.712 -9.098 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.821 6.428 -9.527 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.428 5.682 -9.700 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.818 6.547 -8.395 1.00 0.00 C ATOM 0 H ILE A 50 13.884 9.329 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 50 12.938 8.192 -10.601 1.00 0.00 H new ATOM 0 HB ILE A 50 13.324 6.640 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.877 5.424 -9.947 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.099 7.121 -10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.740 4.682 -9.400 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.415 5.868 -9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.451 5.758 -10.787 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.820 6.333 -8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.790 7.559 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.564 5.835 -7.610 1.00 0.00 H new ATOM 834 N PHE A 51 11.354 8.159 -7.666 1.00 0.00 N ATOM 835 CA PHE A 51 10.067 8.387 -7.005 1.00 0.00 C ATOM 836 C PHE A 51 8.934 7.623 -7.704 1.00 0.00 C ATOM 837 O PHE A 51 8.330 8.121 -8.658 1.00 0.00 O ATOM 838 CB PHE A 51 9.760 9.891 -6.947 1.00 0.00 C ATOM 839 CG PHE A 51 8.367 10.208 -6.476 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.972 9.895 -5.185 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.451 10.810 -7.324 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.693 10.178 -4.750 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.169 11.094 -6.893 1.00 0.00 C ATOM 844 CZ PHE A 51 5.791 10.778 -5.605 1.00 0.00 C ATOM 0 H PHE A 51 12.076 7.783 -7.051 1.00 0.00 H new ATOM 0 HA PHE A 51 10.137 8.005 -5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.477 10.373 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.905 10.321 -7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.673 9.424 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.742 11.060 -8.333 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.398 9.930 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.464 11.563 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.790 11.000 -5.266 1.00 0.00 H new ATOM 854 N ASP A 52 8.652 6.412 -7.218 1.00 0.00 N ATOM 855 CA ASP A 52 7.598 5.577 -7.790 1.00 0.00 C ATOM 856 C ASP A 52 7.116 4.525 -6.790 1.00 0.00 C ATOM 857 O ASP A 52 7.876 3.639 -6.395 1.00 0.00 O ATOM 858 CB ASP A 52 8.100 4.888 -9.063 1.00 0.00 C ATOM 859 CG ASP A 52 7.072 4.916 -10.178 1.00 0.00 C ATOM 860 OD1 ASP A 52 7.053 5.903 -10.939 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.285 3.954 -10.285 1.00 0.00 O ATOM 0 H ASP A 52 9.141 5.989 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 52 6.757 6.226 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.013 5.377 -9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.358 3.854 -8.836 1.00 0.00 H new ATOM 866 N LYS A 53 5.849 4.618 -6.389 1.00 0.00 N ATOM 867 CA LYS A 53 5.275 3.663 -5.442 1.00 0.00 C ATOM 868 C LYS A 53 4.240 2.778 -6.139 1.00 0.00 C ATOM 869 O LYS A 53 3.209 3.266 -6.598 1.00 0.00 O ATOM 870 CB LYS A 53 4.631 4.392 -4.253 1.00 0.00 C ATOM 871 CG LYS A 53 5.410 5.609 -3.764 1.00 0.00 C ATOM 872 CD LYS A 53 4.814 6.908 -4.293 1.00 0.00 C ATOM 873 CE LYS A 53 4.018 7.638 -3.219 1.00 0.00 C ATOM 874 NZ LYS A 53 4.880 8.509 -2.366 1.00 0.00 N ATOM 0 H LYS A 53 5.203 5.342 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 53 6.081 3.034 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.627 4.708 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.522 3.689 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.412 5.626 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.449 5.529 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.613 7.554 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.167 6.692 -5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.247 8.246 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.508 6.909 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.662 8.338 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.881 8.289 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.698 9.507 -2.594 1.00 0.00 H new ATOM 888 N VAL A 54 4.523 1.477 -6.226 1.00 0.00 N ATOM 889 CA VAL A 54 3.614 0.533 -6.883 1.00 0.00 C ATOM 890 C VAL A 54 3.002 -0.451 -5.883 1.00 0.00 C ATOM 891 O VAL A 54 3.613 -0.780 -4.863 1.00 0.00 O ATOM 892 CB VAL A 54 4.326 -0.258 -8.006 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.309 -0.938 -8.912 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.241 0.653 -8.819 1.00 0.00 C ATOM 0 H VAL A 54 5.372 1.053 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 54 2.816 1.131 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 54 4.941 -1.027 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.830 -1.489 -9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.703 -1.628 -8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.665 -0.185 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.730 0.073 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.652 1.450 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.996 1.088 -8.164 1.00 0.00 H new ATOM 904 N ILE A 55 1.782 -0.905 -6.184 1.00 0.00 N ATOM 905 CA ILE A 55 1.061 -1.839 -5.321 1.00 0.00 C ATOM 906 C ILE A 55 0.502 -3.022 -6.113 1.00 0.00 C ATOM 907 O ILE A 55 -0.111 -2.845 -7.168 1.00 0.00 O ATOM 908 CB ILE A 55 -0.102 -1.129 -4.595 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.416 0.093 -3.830 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.830 -2.087 -3.658 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.346 1.380 -4.626 1.00 0.00 C ATOM 0 H ILE A 55 1.272 -0.637 -7.026 1.00 0.00 H new ATOM 0 HA ILE A 55 1.778 -2.212 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.817 -0.791 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.163 0.210 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.450 -0.085 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.644 -1.560 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.235 -2.920 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.132 -2.466 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.729 2.203 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.948 1.282 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.689 1.582 -4.900 1.00 0.00 H new ATOM 923 N TYR A 56 0.705 -4.229 -5.588 1.00 0.00 N ATOM 924 CA TYR A 56 0.215 -5.443 -6.233 1.00 0.00 C ATOM 925 C TYR A 56 -0.602 -6.285 -5.256 1.00 0.00 C ATOM 926 O TYR A 56 -0.099 -6.695 -4.208 1.00 0.00 O ATOM 927 CB TYR A 56 1.379 -6.265 -6.786 1.00 0.00 C ATOM 928 CG TYR A 56 0.968 -7.211 -7.893 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.348 -6.739 -9.043 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.197 -8.576 -7.784 1.00 0.00 C ATOM 931 CE1 TYR A 56 -0.031 -7.600 -10.054 1.00 0.00 C ATOM 932 CE2 TYR A 56 0.822 -9.443 -8.790 1.00 0.00 C ATOM 933 CZ TYR A 56 0.209 -8.951 -9.922 1.00 0.00 C ATOM 934 OH TYR A 56 -0.167 -9.813 -10.924 1.00 0.00 O ATOM 0 H TYR A 56 1.207 -4.391 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.431 -5.147 -7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.147 -5.589 -7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.828 -6.838 -5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.159 -5.681 -9.148 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.676 -8.965 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.512 -7.217 -10.942 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.008 -10.502 -8.691 1.00 0.00 H new ATOM 0 HH TYR A 56 0.075 -10.729 -10.675 1.00 0.00 H new ATOM 944 N HIS A 57 -1.862 -6.540 -5.608 1.00 0.00 N ATOM 945 CA HIS A 57 -2.753 -7.334 -4.765 1.00 0.00 C ATOM 946 C HIS A 57 -3.411 -8.460 -5.564 1.00 0.00 C ATOM 947 O HIS A 57 -4.274 -8.213 -6.408 1.00 0.00 O ATOM 948 CB HIS A 57 -3.826 -6.446 -4.106 1.00 0.00 C ATOM 949 CG HIS A 57 -4.335 -5.326 -4.972 1.00 0.00 C ATOM 950 ND1 HIS A 57 -4.686 -4.091 -4.468 1.00 0.00 N ATOM 951 CD2 HIS A 57 -4.560 -5.259 -6.308 1.00 0.00 C ATOM 952 CE1 HIS A 57 -5.104 -3.316 -5.452 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.035 -3.999 -6.577 1.00 0.00 N ATOM 0 H HIS A 57 -2.288 -6.207 -6.473 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.147 -7.783 -3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.668 -7.073 -3.815 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.414 -6.021 -3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.396 -6.049 -7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.444 -2.296 -5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.293 -3.648 -7.499 1.00 0.00 H new ATOM 962 N LEU A 58 -2.988 -9.698 -5.285 1.00 0.00 N ATOM 963 CA LEU A 58 -3.517 -10.888 -5.960 1.00 0.00 C ATOM 964 C LEU A 58 -3.062 -10.955 -7.417 1.00 0.00 C ATOM 965 O LEU A 58 -2.737 -9.934 -8.027 1.00 0.00 O ATOM 966 CB LEU A 58 -5.049 -10.928 -5.901 1.00 0.00 C ATOM 967 CG LEU A 58 -5.641 -11.322 -4.545 1.00 0.00 C ATOM 968 CD1 LEU A 58 -5.735 -10.112 -3.627 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.011 -11.964 -4.730 1.00 0.00 C ATOM 0 H LEU A 58 -2.272 -9.903 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.120 -11.753 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.433 -9.945 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.407 -11.631 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.978 -12.051 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.158 -10.414 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.740 -9.697 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.375 -9.357 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.419 -12.238 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.681 -11.256 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.914 -12.857 -5.348 1.00 0.00 H new ATOM 1071 N PRO A 65 -3.960 -3.688 -11.944 1.00 0.00 N ATOM 1072 CA PRO A 65 -3.104 -3.556 -10.761 1.00 0.00 C ATOM 1073 C PRO A 65 -3.195 -2.160 -10.149 1.00 0.00 C ATOM 1074 O PRO A 65 -3.984 -1.328 -10.604 1.00 0.00 O ATOM 1075 CB PRO A 65 -1.685 -3.820 -11.299 1.00 0.00 C ATOM 1076 CG PRO A 65 -1.877 -4.375 -12.670 1.00 0.00 C ATOM 1077 CD PRO A 65 -3.164 -3.791 -13.172 1.00 0.00 C ATOM 0 HA PRO A 65 -3.396 -4.243 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.098 -2.902 -11.326 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.148 -4.523 -10.662 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.045 -4.105 -13.321 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.924 -5.464 -12.648 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.014 -2.819 -13.642 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.640 -4.433 -13.913 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.390 -1.900 -9.123 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.393 -0.596 -8.467 1.00 0.00 C ATOM 1087 C ASN A 66 -1.023 0.067 -8.557 1.00 0.00 C ATOM 1088 O ASN A 66 0.011 -0.587 -8.423 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.831 -0.729 -7.007 1.00 0.00 C ATOM 1090 CG ASN A 66 -4.278 -0.320 -6.814 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -5.191 -0.965 -7.334 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.500 0.756 -6.069 1.00 0.00 N ATOM 0 H ASN A 66 -1.730 -2.571 -8.729 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.109 0.040 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.698 -1.760 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.191 -0.110 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.455 1.077 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.716 1.261 -5.657 1.00 0.00 H new ATOM 1099 N ARG A 67 -1.026 1.375 -8.794 1.00 0.00 N ATOM 1100 CA ARG A 67 0.213 2.134 -8.914 1.00 0.00 C ATOM 1101 C ARG A 67 0.020 3.564 -8.414 1.00 0.00 C ATOM 1102 O ARG A 67 -1.022 4.178 -8.653 1.00 0.00 O ATOM 1103 CB ARG A 67 0.703 2.134 -10.371 1.00 0.00 C ATOM 1104 CG ARG A 67 -0.315 2.666 -11.373 1.00 0.00 C ATOM 1105 CD ARG A 67 -1.413 1.650 -11.658 1.00 0.00 C ATOM 1106 NE ARG A 67 -1.912 1.746 -13.031 1.00 0.00 N ATOM 1107 CZ ARG A 67 -3.083 1.245 -13.442 1.00 0.00 C ATOM 1108 NH1 ARG A 67 -3.882 0.598 -12.597 1.00 0.00 N ATOM 1109 NH2 ARG A 67 -3.454 1.389 -14.710 1.00 0.00 N ATOM 0 H ARG A 67 -1.873 1.931 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 67 0.971 1.655 -8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.610 2.735 -10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.974 1.116 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.760 3.583 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.191 2.924 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.030 0.645 -11.482 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.238 1.804 -10.962 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.330 2.225 -13.718 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.605 0.479 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.772 0.221 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.847 1.880 -15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.346 1.008 -15.027 1.00 0.00 H new ATOM 1123 N THR A 68 1.026 4.083 -7.713 1.00 0.00 N ATOM 1124 CA THR A 68 0.968 5.433 -7.168 1.00 0.00 C ATOM 1125 C THR A 68 2.038 6.332 -7.786 1.00 0.00 C ATOM 1126 O THR A 68 3.238 6.144 -7.558 1.00 0.00 O ATOM 1127 CB THR A 68 1.130 5.406 -5.647 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.125 4.606 -5.043 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.072 6.781 -5.013 1.00 0.00 C ATOM 0 H THR A 68 1.893 3.585 -7.510 1.00 0.00 H new ATOM 0 HA THR A 68 -0.010 5.844 -7.417 1.00 0.00 H new ATOM 0 HB THR A 68 2.120 4.986 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.742 5.056 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.193 6.689 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.872 7.402 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.109 7.242 -5.232 1.00 0.00 H new ATOM 1137 N PHE A 69 1.579 7.319 -8.550 1.00 0.00 N ATOM 1138 CA PHE A 69 2.460 8.283 -9.200 1.00 0.00 C ATOM 1139 C PHE A 69 1.943 9.699 -8.952 1.00 0.00 C ATOM 1140 O PHE A 69 2.658 10.548 -8.419 1.00 0.00 O ATOM 1141 CB PHE A 69 2.546 8.001 -10.705 1.00 0.00 C ATOM 1142 CG PHE A 69 3.716 8.662 -11.381 1.00 0.00 C ATOM 1143 CD1 PHE A 69 3.775 10.042 -11.512 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.758 7.902 -11.887 1.00 0.00 C ATOM 1145 CE1 PHE A 69 4.850 10.648 -12.133 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.837 8.503 -12.509 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.883 9.878 -12.632 1.00 0.00 C ATOM 0 H PHE A 69 0.588 7.473 -8.735 1.00 0.00 H new ATOM 0 HA PHE A 69 3.461 8.190 -8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.610 6.924 -10.860 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.625 8.338 -11.181 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.971 10.650 -11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.727 6.826 -11.794 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.883 11.723 -12.228 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.643 7.898 -12.898 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.725 10.350 -13.117 1.00 0.00 H new ATOM 1157 N THR A 70 0.685 9.933 -9.334 1.00 0.00 N ATOM 1158 CA THR A 70 0.046 11.236 -9.153 1.00 0.00 C ATOM 1159 C THR A 70 -1.452 11.086 -8.836 1.00 0.00 C ATOM 1160 O THR A 70 -2.265 11.922 -9.240 1.00 0.00 O ATOM 1161 CB THR A 70 0.244 12.099 -10.409 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.348 11.293 -11.571 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.479 12.970 -10.348 1.00 0.00 C ATOM 0 H THR A 70 0.087 9.232 -9.773 1.00 0.00 H new ATOM 0 HA THR A 70 0.518 11.729 -8.303 1.00 0.00 H new ATOM 0 HB THR A 70 -0.636 12.740 -10.453 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.472 11.866 -12.356 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.559 13.553 -11.266 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.407 13.644 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.363 12.341 -10.240 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.809 10.017 -8.112 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.207 9.755 -7.744 1.00 0.00 C ATOM 1173 C ASP A 71 -3.367 9.573 -6.230 1.00 0.00 C ATOM 1174 O ASP A 71 -2.399 9.274 -5.528 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.720 8.503 -8.469 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.401 8.814 -9.792 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -4.052 9.832 -10.426 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.285 8.031 -10.197 1.00 0.00 O ATOM 0 H ASP A 71 -1.149 9.319 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.795 10.621 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.884 7.827 -8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.422 7.978 -7.821 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.605 9.750 -5.708 1.00 0.00 N ATOM 1184 CA PRO A 72 -4.908 9.604 -4.271 1.00 0.00 C ATOM 1185 C PRO A 72 -4.757 8.157 -3.785 1.00 0.00 C ATOM 1186 O PRO A 72 -4.509 7.250 -4.582 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.377 10.051 -4.156 1.00 0.00 C ATOM 1188 CG PRO A 72 -6.687 10.744 -5.440 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.807 10.110 -6.476 1.00 0.00 C ATOM 0 HA PRO A 72 -4.222 10.188 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.036 9.196 -4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.518 10.719 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.739 10.631 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.491 11.813 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.277 9.235 -6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.577 10.800 -7.288 1.00 0.00 H new ATOM 1197 N PRO A 73 -4.909 7.922 -2.462 1.00 0.00 N ATOM 1198 CA PRO A 73 -4.792 6.578 -1.872 1.00 0.00 C ATOM 1199 C PRO A 73 -5.904 5.634 -2.339 1.00 0.00 C ATOM 1200 O PRO A 73 -6.747 6.010 -3.156 1.00 0.00 O ATOM 1201 CB PRO A 73 -4.902 6.837 -0.365 1.00 0.00 C ATOM 1202 CG PRO A 73 -5.629 8.131 -0.251 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.210 8.946 -1.442 1.00 0.00 C ATOM 0 HA PRO A 73 -3.865 6.086 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.443 6.034 0.135 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.917 6.895 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.708 7.974 -0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.376 8.640 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.003 9.619 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.339 9.563 -1.221 1.00 0.00 H new ATOM 1211 N PHE A 74 -5.897 4.404 -1.821 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.905 3.410 -2.197 1.00 0.00 C ATOM 1213 C PHE A 74 -7.510 2.726 -0.970 1.00 0.00 C ATOM 1214 O PHE A 74 -6.941 2.769 0.121 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.286 2.359 -3.124 1.00 0.00 C ATOM 1216 CG PHE A 74 -7.108 2.066 -4.349 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.394 3.065 -5.266 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -7.588 0.787 -4.587 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -8.143 2.795 -6.396 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -8.337 0.511 -5.715 1.00 0.00 C ATOM 1221 CZ PHE A 74 -8.615 1.515 -6.620 1.00 0.00 C ATOM 0 H PHE A 74 -5.209 4.074 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.706 3.933 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.298 2.699 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.143 1.434 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.027 4.066 -5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.374 -0.003 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.359 3.583 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.705 -0.490 -5.888 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.200 1.301 -7.502 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.666 2.088 -1.170 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.367 1.381 -0.097 1.00 0.00 C ATOM 1233 C ARG A 75 -10.572 0.621 -0.657 1.00 0.00 C ATOM 1234 O ARG A 75 -11.710 1.092 -0.573 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.819 2.366 0.989 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.303 1.693 2.267 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.370 1.972 3.438 1.00 0.00 C ATOM 1238 NE ARG A 75 -10.053 2.638 4.546 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.397 3.930 4.546 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -10.139 4.698 3.490 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.003 4.454 5.605 1.00 0.00 N ATOM 0 H ARG A 75 -9.139 2.047 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.679 0.663 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.990 3.031 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.621 2.988 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.305 2.047 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.375 0.617 2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.942 1.033 3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.541 2.593 3.099 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.281 2.082 5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.675 4.302 2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.405 5.683 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.205 3.871 6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.266 5.440 5.606 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.314 -0.553 -1.237 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.377 -1.372 -1.819 1.00 0.00 C ATOM 1257 C ILE A 76 -11.511 -2.708 -1.093 1.00 0.00 C ATOM 1258 O ILE A 76 -10.522 -3.415 -0.883 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.135 -1.647 -3.321 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.806 -0.351 -4.067 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -12.350 -2.325 -3.944 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -11.902 0.692 -3.998 1.00 0.00 C ATOM 0 H ILE A 76 -9.380 -0.956 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.298 -0.801 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.280 -2.318 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.890 0.071 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.607 -0.586 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.161 -2.510 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.538 -3.272 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.221 -1.678 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.594 1.580 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.815 0.290 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.087 0.957 -2.957 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.742 -3.048 -0.725 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.024 -4.300 -0.033 1.00 0.00 C ATOM 1276 C GLU A 77 -14.274 -4.962 -0.609 1.00 0.00 C ATOM 1277 O GLU A 77 -15.320 -4.322 -0.742 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.193 -4.055 1.470 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.306 -3.077 1.819 1.00 0.00 C ATOM 1280 CD GLU A 77 -15.359 -3.696 2.718 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -16.309 -4.311 2.187 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -15.232 -3.569 3.954 1.00 0.00 O ATOM 0 H GLU A 77 -13.565 -2.470 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.179 -4.972 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.393 -5.007 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.253 -3.678 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.878 -2.205 2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.777 -2.725 0.901 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.157 -6.242 -0.963 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.281 -6.978 -1.538 1.00 0.00 C ATOM 1291 C GLU A 78 -15.380 -8.393 -0.969 1.00 0.00 C ATOM 1292 O GLU A 78 -14.458 -8.878 -0.310 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.147 -7.030 -3.061 1.00 0.00 C ATOM 1294 CG GLU A 78 -16.185 -6.194 -3.793 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.946 -6.149 -5.290 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -15.964 -7.226 -5.926 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -15.741 -5.040 -5.826 1.00 0.00 O ATOM 0 H GLU A 78 -13.301 -6.787 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.197 -6.450 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.152 -6.685 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.230 -8.066 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.177 -6.602 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.174 -5.179 -3.396 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.515 -9.045 -1.231 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.759 -10.404 -0.750 1.00 0.00 C ATOM 1306 C GLN A 79 -17.030 -11.354 -1.917 1.00 0.00 C ATOM 1307 O GLN A 79 -17.886 -11.083 -2.762 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.947 -10.418 0.221 1.00 0.00 C ATOM 1309 CG GLN A 79 -17.992 -9.217 1.156 1.00 0.00 C ATOM 1310 CD GLN A 79 -18.993 -8.166 0.713 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.202 -8.395 0.741 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -18.497 -7.004 0.302 1.00 0.00 N ATOM 0 H GLN A 79 -17.282 -8.651 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.865 -10.745 -0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -18.873 -10.454 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.906 -11.329 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.246 -9.554 2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.000 -8.768 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.488 -6.854 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.125 -6.262 -0.006 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.296 -12.468 -1.958 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.468 -13.442 -3.022 1.00 0.00 C ATOM 1323 C GLY A 80 -15.312 -14.420 -3.108 1.00 0.00 C ATOM 1324 O GLY A 80 -15.014 -15.123 -2.140 1.00 0.00 O ATOM 0 H GLY A 80 -15.584 -12.711 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.394 -13.993 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.570 -12.921 -3.974 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.655 -14.468 -4.267 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.520 -15.365 -4.465 1.00 0.00 C ATOM 1330 C TRP A 81 -12.266 -14.577 -4.838 1.00 0.00 C ATOM 1331 O TRP A 81 -12.174 -14.020 -5.934 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.837 -16.399 -5.553 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.700 -17.532 -5.075 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.768 -18.035 -3.805 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -15.617 -18.306 -5.859 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.670 -19.069 -3.753 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -16.205 -19.256 -5.001 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -16.002 -18.287 -7.204 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -17.153 -20.176 -5.444 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -16.943 -19.202 -7.642 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -17.508 -20.134 -6.765 1.00 0.00 C ATOM 0 H TRP A 81 -14.889 -13.898 -5.080 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.333 -15.888 -3.527 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.336 -15.899 -6.383 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.902 -16.804 -5.940 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -14.195 -17.672 -2.965 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.904 -19.610 -2.921 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -15.572 -17.571 -7.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -17.592 -20.896 -4.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -17.246 -19.197 -8.678 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -18.240 -20.835 -7.138 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.307 -14.531 -3.915 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.069 -13.808 -4.154 1.00 0.00 C ATOM 1354 C GLY A 82 -9.021 -14.083 -3.091 1.00 0.00 C ATOM 1355 O GLY A 82 -9.138 -13.602 -1.962 1.00 0.00 O ATOM 0 H GLY A 82 -11.366 -14.984 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.673 -14.085 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.277 -12.739 -4.187 1.00 0.00 H new ATOM 1359 N GLY A 83 -7.998 -14.860 -3.449 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.944 -15.185 -2.503 1.00 0.00 C ATOM 1361 C GLY A 83 -5.606 -15.441 -3.176 1.00 0.00 C ATOM 1362 O GLY A 83 -5.382 -16.520 -3.724 1.00 0.00 O ATOM 0 H GLY A 83 -7.882 -15.269 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.836 -14.367 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.233 -16.068 -1.933 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.715 -14.445 -3.136 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.389 -14.563 -3.750 1.00 0.00 C ATOM 1368 C PHE A 84 -2.369 -13.659 -3.045 1.00 0.00 C ATOM 1369 O PHE A 84 -2.736 -12.843 -2.196 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.471 -14.197 -5.239 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.750 -15.367 -6.151 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.731 -16.225 -6.536 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.032 -15.599 -6.629 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -2.986 -17.291 -7.378 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.289 -16.663 -7.472 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.266 -17.509 -7.848 1.00 0.00 C ATOM 0 H PHE A 84 -4.889 -13.547 -2.684 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.056 -15.596 -3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.253 -13.450 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.532 -13.733 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.727 -16.058 -6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.838 -14.941 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.184 -17.954 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.291 -16.833 -7.837 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.466 -18.340 -8.508 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.065 -13.798 -3.388 1.00 0.00 N ATOM 1387 CA PRO A 85 0.021 -13.000 -2.785 1.00 0.00 C ATOM 1388 C PRO A 85 -0.191 -11.486 -2.920 1.00 0.00 C ATOM 1389 O PRO A 85 -1.156 -11.033 -3.543 1.00 0.00 O ATOM 1390 CB PRO A 85 1.266 -13.441 -3.567 1.00 0.00 C ATOM 1391 CG PRO A 85 0.926 -14.791 -4.090 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.546 -14.757 -4.381 1.00 0.00 C ATOM 0 HA PRO A 85 0.088 -13.170 -1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.491 -12.748 -4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.146 -13.476 -2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.498 -15.017 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.163 -15.565 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.747 -14.429 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.002 -15.741 -4.267 1.00 0.00 H new ATOM 1400 N LEU A 86 0.719 -10.712 -2.322 1.00 0.00 N ATOM 1401 CA LEU A 86 0.653 -9.254 -2.349 1.00 0.00 C ATOM 1402 C LEU A 86 2.063 -8.665 -2.341 1.00 0.00 C ATOM 1403 O LEU A 86 2.974 -9.237 -1.743 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.128 -8.740 -1.132 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.346 -7.864 -1.447 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.592 -8.721 -1.617 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.557 -6.830 -0.350 1.00 0.00 C ATOM 0 H LEU A 86 1.519 -11.080 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 86 0.141 -8.943 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.461 -9.598 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.553 -8.170 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.159 -7.340 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.446 -8.081 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.441 -9.424 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.783 -9.273 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.426 -6.217 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.722 -7.337 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.674 -6.195 -0.274 1.00 0.00 H new ATOM 1419 N ASP A 87 2.242 -7.524 -3.004 1.00 0.00 N ATOM 1420 CA ASP A 87 3.551 -6.877 -3.061 1.00 0.00 C ATOM 1421 C ASP A 87 3.413 -5.356 -3.071 1.00 0.00 C ATOM 1422 O ASP A 87 2.732 -4.788 -3.929 1.00 0.00 O ATOM 1423 CB ASP A 87 4.338 -7.341 -4.295 1.00 0.00 C ATOM 1424 CG ASP A 87 4.223 -8.833 -4.552 1.00 0.00 C ATOM 1425 OD1 ASP A 87 3.291 -9.242 -5.274 1.00 0.00 O ATOM 1426 OD2 ASP A 87 5.071 -9.590 -4.035 1.00 0.00 O ATOM 0 H ASP A 87 1.503 -7.032 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 87 4.101 -7.168 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.980 -6.799 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.389 -7.081 -4.167 1.00 0.00 H new ATOM 1431 N ILE A 88 4.066 -4.695 -2.112 1.00 0.00 N ATOM 1432 CA ILE A 88 4.019 -3.238 -2.011 1.00 0.00 C ATOM 1433 C ILE A 88 5.425 -2.641 -2.060 1.00 0.00 C ATOM 1434 O ILE A 88 6.296 -3.025 -1.279 1.00 0.00 O ATOM 1435 CB ILE A 88 3.325 -2.773 -0.710 1.00 0.00 C ATOM 1436 CG1 ILE A 88 2.054 -3.590 -0.443 1.00 0.00 C ATOM 1437 CG2 ILE A 88 2.998 -1.286 -0.787 1.00 0.00 C ATOM 1438 CD1 ILE A 88 0.983 -3.422 -1.500 1.00 0.00 C ATOM 0 H ILE A 88 4.633 -5.148 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 88 3.439 -2.886 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 88 4.012 -2.937 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.320 -4.645 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.644 -3.300 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.510 -0.973 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.918 -0.718 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.332 -1.103 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.117 -4.031 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.687 -2.374 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.373 -3.740 -2.467 1.00 0.00 H new ATOM 1450 N SER A 89 5.642 -1.703 -2.984 1.00 0.00 N ATOM 1451 CA SER A 89 6.947 -1.057 -3.134 1.00 0.00 C ATOM 1452 C SER A 89 6.825 0.467 -3.113 1.00 0.00 C ATOM 1453 O SER A 89 5.848 1.029 -3.612 1.00 0.00 O ATOM 1454 CB SER A 89 7.615 -1.506 -4.436 1.00 0.00 C ATOM 1455 OG SER A 89 6.815 -1.186 -5.564 1.00 0.00 O ATOM 0 H SER A 89 4.932 -1.374 -3.639 1.00 0.00 H new ATOM 0 HA SER A 89 7.564 -1.359 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.589 -1.027 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.790 -2.581 -4.405 1.00 0.00 H new ATOM 0 HG SER A 89 7.268 -1.483 -6.381 1.00 0.00 H new ATOM 1461 N VAL A 90 7.828 1.130 -2.533 1.00 0.00 N ATOM 1462 CA VAL A 90 7.844 2.586 -2.446 1.00 0.00 C ATOM 1463 C VAL A 90 9.213 3.148 -2.838 1.00 0.00 C ATOM 1464 O VAL A 90 10.248 2.662 -2.379 1.00 0.00 O ATOM 1465 CB VAL A 90 7.456 3.076 -1.026 1.00 0.00 C ATOM 1466 CG1 VAL A 90 8.612 2.952 -0.045 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.938 4.509 -1.070 1.00 0.00 C ATOM 0 H VAL A 90 8.641 0.677 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 90 7.100 2.957 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 90 6.656 2.428 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.296 3.306 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.918 1.908 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 90 9.452 3.553 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.672 4.831 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.713 5.164 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.058 4.558 -1.711 1.00 0.00 H new ATOM 1477 N PHE A 91 9.206 4.171 -3.692 1.00 0.00 N ATOM 1478 CA PHE A 91 10.438 4.810 -4.152 1.00 0.00 C ATOM 1479 C PHE A 91 10.315 6.332 -4.074 1.00 0.00 C ATOM 1480 O PHE A 91 9.210 6.877 -4.106 1.00 0.00 O ATOM 1481 CB PHE A 91 10.765 4.391 -5.590 1.00 0.00 C ATOM 1482 CG PHE A 91 11.632 3.168 -5.695 1.00 0.00 C ATOM 1483 CD1 PHE A 91 11.136 1.919 -5.352 1.00 0.00 C ATOM 1484 CD2 PHE A 91 12.941 3.265 -6.141 1.00 0.00 C ATOM 1485 CE1 PHE A 91 11.930 0.792 -5.451 1.00 0.00 C ATOM 1486 CE2 PHE A 91 13.739 2.140 -6.243 1.00 0.00 C ATOM 1487 CZ PHE A 91 13.233 0.903 -5.898 1.00 0.00 C ATOM 0 H PHE A 91 8.355 4.577 -4.081 1.00 0.00 H new ATOM 0 HA PHE A 91 11.248 4.485 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.832 4.208 -6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.263 5.220 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 91 10.118 1.826 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.342 4.230 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 91 11.532 -0.175 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 91 14.757 2.229 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 91 13.854 0.023 -5.977 1.00 0.00 H new ATOM 1497 N LEU A 92 11.457 7.009 -3.973 1.00 0.00 N ATOM 1498 CA LEU A 92 11.488 8.469 -3.891 1.00 0.00 C ATOM 1499 C LEU A 92 12.714 9.019 -4.626 1.00 0.00 C ATOM 1500 O LEU A 92 13.269 8.351 -5.501 1.00 0.00 O ATOM 1501 CB LEU A 92 11.482 8.911 -2.419 1.00 0.00 C ATOM 1502 CG LEU A 92 12.654 8.406 -1.573 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.893 9.323 -0.382 1.00 0.00 C ATOM 1504 CD2 LEU A 92 12.399 6.979 -1.109 1.00 0.00 C ATOM 0 H LEU A 92 12.377 6.568 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 92 10.598 8.872 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.475 10.000 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.553 8.572 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 92 13.551 8.412 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.730 8.946 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.122 10.328 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.998 9.353 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.242 6.635 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.490 6.949 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.283 6.330 -1.977 1.00 0.00 H new ATOM 1516 N LEU A 93 13.144 10.231 -4.268 1.00 0.00 N ATOM 1517 CA LEU A 93 14.313 10.841 -4.899 1.00 0.00 C ATOM 1518 C LEU A 93 15.563 10.641 -4.033 1.00 0.00 C ATOM 1519 O LEU A 93 16.414 11.527 -3.928 1.00 0.00 O ATOM 1520 CB LEU A 93 14.091 12.341 -5.189 1.00 0.00 C ATOM 1521 CG LEU A 93 13.131 13.107 -4.259 1.00 0.00 C ATOM 1522 CD1 LEU A 93 11.681 12.737 -4.549 1.00 0.00 C ATOM 1523 CD2 LEU A 93 13.473 12.871 -2.792 1.00 0.00 C ATOM 0 H LEU A 93 12.703 10.805 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 93 14.465 10.340 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.061 12.838 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.719 12.436 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 93 13.254 14.171 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.023 13.291 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.441 12.987 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.540 11.667 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.777 13.425 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.397 11.807 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.490 13.212 -2.596 1.00 0.00 H new ATOM 1535 N GLU A 94 15.662 9.457 -3.417 1.00 0.00 N ATOM 1536 CA GLU A 94 16.791 9.108 -2.557 1.00 0.00 C ATOM 1537 C GLU A 94 16.743 7.623 -2.189 1.00 0.00 C ATOM 1538 O GLU A 94 15.985 6.855 -2.788 1.00 0.00 O ATOM 1539 CB GLU A 94 16.780 9.971 -1.289 1.00 0.00 C ATOM 1540 CG GLU A 94 18.128 10.590 -0.961 1.00 0.00 C ATOM 1541 CD GLU A 94 18.032 11.660 0.107 1.00 0.00 C ATOM 1542 OE1 GLU A 94 17.635 12.797 -0.225 1.00 0.00 O ATOM 1543 OE2 GLU A 94 18.347 11.360 1.277 1.00 0.00 O ATOM 0 H GLU A 94 14.963 8.719 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 94 17.715 9.300 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.044 10.766 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.456 9.360 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.811 9.809 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.555 11.022 -1.866 1.00 0.00 H new ATOM 1550 N LYS A 95 17.549 7.220 -1.205 1.00 0.00 N ATOM 1551 CA LYS A 95 17.589 5.826 -0.766 1.00 0.00 C ATOM 1552 C LYS A 95 17.413 5.722 0.752 1.00 0.00 C ATOM 1553 O LYS A 95 18.102 4.943 1.414 1.00 0.00 O ATOM 1554 CB LYS A 95 18.910 5.174 -1.191 1.00 0.00 C ATOM 1555 CG LYS A 95 19.158 5.209 -2.691 1.00 0.00 C ATOM 1556 CD LYS A 95 19.886 6.479 -3.109 1.00 0.00 C ATOM 1557 CE LYS A 95 19.479 6.918 -4.507 1.00 0.00 C ATOM 1558 NZ LYS A 95 20.238 6.191 -5.565 1.00 0.00 N ATOM 0 H LYS A 95 18.182 7.839 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 95 16.763 5.297 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.733 5.679 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.917 4.137 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.746 4.339 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 95 18.207 5.143 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.668 7.276 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.962 6.310 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.411 6.746 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.646 7.990 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.930 6.521 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 21.255 6.375 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 20.059 5.170 -5.481 1.00 0.00 H new ATOM 1572 N ALA A 96 16.486 6.513 1.297 1.00 0.00 N ATOM 1573 CA ALA A 96 16.221 6.510 2.736 1.00 0.00 C ATOM 1574 C ALA A 96 14.844 5.926 3.068 1.00 0.00 C ATOM 1575 O ALA A 96 14.647 5.374 4.152 1.00 0.00 O ATOM 1576 CB ALA A 96 16.336 7.922 3.298 1.00 0.00 C ATOM 0 H ALA A 96 15.908 7.162 0.764 1.00 0.00 H new ATOM 0 HA ALA A 96 16.971 5.871 3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.136 7.905 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 96 17.342 8.303 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.612 8.570 2.804 1.00 0.00 H new ATOM 1582 N GLY A 97 13.895 6.053 2.136 1.00 0.00 N ATOM 1583 CA GLY A 97 12.555 5.538 2.359 1.00 0.00 C ATOM 1584 C GLY A 97 12.191 4.391 1.427 1.00 0.00 C ATOM 1585 O GLY A 97 11.170 3.734 1.631 1.00 0.00 O ATOM 0 H GLY A 97 14.034 6.504 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.470 5.200 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.836 6.346 2.228 1.00 0.00 H new ATOM 1589 N GLU A 98 13.021 4.152 0.407 1.00 0.00 N ATOM 1590 CA GLU A 98 12.771 3.081 -0.553 1.00 0.00 C ATOM 1591 C GLU A 98 12.630 1.737 0.160 1.00 0.00 C ATOM 1592 O GLU A 98 13.615 1.180 0.652 1.00 0.00 O ATOM 1593 CB GLU A 98 13.905 3.015 -1.583 1.00 0.00 C ATOM 1594 CG GLU A 98 13.571 2.182 -2.811 1.00 0.00 C ATOM 1595 CD GLU A 98 13.855 0.704 -2.610 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.011 0.287 -2.831 1.00 0.00 O ATOM 1597 OE2 GLU A 98 12.921 -0.036 -2.237 1.00 0.00 O ATOM 0 H GLU A 98 13.871 4.687 0.228 1.00 0.00 H new ATOM 0 HA GLU A 98 11.836 3.297 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.155 4.028 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.793 2.601 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.518 2.315 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.148 2.547 -3.661 1.00 0.00 H new ATOM 1604 N ARG A 99 11.400 1.229 0.221 1.00 0.00 N ATOM 1605 CA ARG A 99 11.131 -0.047 0.883 1.00 0.00 C ATOM 1606 C ARG A 99 10.070 -0.861 0.139 1.00 0.00 C ATOM 1607 O ARG A 99 9.133 -0.304 -0.436 1.00 0.00 O ATOM 1608 CB ARG A 99 10.678 0.193 2.327 1.00 0.00 C ATOM 1609 CG ARG A 99 11.537 -0.517 3.361 1.00 0.00 C ATOM 1610 CD ARG A 99 11.025 -1.921 3.649 1.00 0.00 C ATOM 1611 NE ARG A 99 12.117 -2.877 3.837 1.00 0.00 N ATOM 1612 CZ ARG A 99 12.845 -2.970 4.956 1.00 0.00 C ATOM 1613 NH1 ARG A 99 12.609 -2.163 5.987 1.00 0.00 N ATOM 1614 NH2 ARG A 99 13.818 -3.875 5.040 1.00 0.00 N ATOM 0 H ARG A 99 10.577 1.679 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 99 12.058 -0.620 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.691 1.264 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.645 -0.139 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.566 -0.571 3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.549 0.063 4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.402 -1.903 4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.392 -2.252 2.826 1.00 0.00 H new ATOM 0 HE ARG A 99 12.336 -3.511 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.867 -1.465 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.170 -2.242 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.007 -4.495 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.374 -3.948 5.892 1.00 0.00 H new ATOM 1628 N LYS A 100 10.220 -2.187 0.177 1.00 0.00 N ATOM 1629 CA LYS A 100 9.274 -3.098 -0.468 1.00 0.00 C ATOM 1630 C LYS A 100 8.950 -4.267 0.461 1.00 0.00 C ATOM 1631 O LYS A 100 9.854 -4.976 0.911 1.00 0.00 O ATOM 1632 CB LYS A 100 9.827 -3.620 -1.802 1.00 0.00 C ATOM 1633 CG LYS A 100 11.280 -4.076 -1.745 1.00 0.00 C ATOM 1634 CD LYS A 100 12.177 -3.187 -2.593 1.00 0.00 C ATOM 1635 CE LYS A 100 13.309 -3.977 -3.236 1.00 0.00 C ATOM 1636 NZ LYS A 100 12.874 -4.678 -4.476 1.00 0.00 N ATOM 0 H LYS A 100 10.993 -2.655 0.651 1.00 0.00 H new ATOM 0 HA LYS A 100 8.359 -2.543 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.210 -4.454 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.734 -2.835 -2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.626 -4.064 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.353 -5.106 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.583 -2.706 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.594 -2.393 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.132 -3.302 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.690 -4.708 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.677 -5.202 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.106 -5.342 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.534 -3.980 -5.168 1.00 0.00 H new ATOM 1650 N ILE A 101 7.664 -4.461 0.759 1.00 0.00 N ATOM 1651 CA ILE A 101 7.241 -5.543 1.647 1.00 0.00 C ATOM 1652 C ILE A 101 6.111 -6.375 1.035 1.00 0.00 C ATOM 1653 O ILE A 101 5.060 -5.844 0.668 1.00 0.00 O ATOM 1654 CB ILE A 101 6.794 -5.008 3.029 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.471 -6.173 3.973 1.00 0.00 C ATOM 1656 CG2 ILE A 101 5.595 -4.076 2.893 1.00 0.00 C ATOM 1657 CD1 ILE A 101 6.289 -5.753 5.415 1.00 0.00 C ATOM 0 H ILE A 101 6.902 -3.886 0.400 1.00 0.00 H new ATOM 0 HA ILE A 101 8.113 -6.184 1.782 1.00 0.00 H new ATOM 0 HB ILE A 101 7.617 -4.434 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.562 -6.666 3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.273 -6.909 3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.302 -3.715 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.862 -3.229 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.763 -4.617 2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.063 -6.629 6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.205 -5.287 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.467 -5.041 5.485 1.00 0.00 H new ATOM 1669 N PRO A 102 6.318 -7.703 0.922 1.00 0.00 N ATOM 1670 CA PRO A 102 5.326 -8.618 0.365 1.00 0.00 C ATOM 1671 C PRO A 102 4.342 -9.121 1.422 1.00 0.00 C ATOM 1672 O PRO A 102 4.619 -9.055 2.623 1.00 0.00 O ATOM 1673 CB PRO A 102 6.192 -9.758 -0.157 1.00 0.00 C ATOM 1674 CG PRO A 102 7.345 -9.818 0.791 1.00 0.00 C ATOM 1675 CD PRO A 102 7.543 -8.420 1.330 1.00 0.00 C ATOM 0 HA PRO A 102 4.698 -8.150 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.642 -10.699 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.526 -9.567 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.143 -10.519 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.244 -10.167 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.662 -8.423 2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.436 -7.954 0.913 1.00 0.00 H new ATOM 1683 N HIS A 103 3.194 -9.617 0.967 1.00 0.00 N ATOM 1684 CA HIS A 103 2.158 -10.128 1.863 1.00 0.00 C ATOM 1685 C HIS A 103 1.377 -11.265 1.204 1.00 0.00 C ATOM 1686 O HIS A 103 1.555 -11.546 0.018 1.00 0.00 O ATOM 1687 CB HIS A 103 1.204 -8.996 2.258 1.00 0.00 C ATOM 1688 CG HIS A 103 1.756 -8.086 3.312 1.00 0.00 C ATOM 1689 ND1 HIS A 103 1.678 -8.147 4.662 1.00 0.00 N flip ATOM 1690 CD2 HIS A 103 2.492 -6.956 3.022 1.00 0.00 C flip ATOM 1691 CE1 HIS A 103 2.361 -7.065 5.156 1.00 0.00 C flip ATOM 1692 NE2 HIS A 103 2.843 -6.361 4.148 1.00 0.00 N flip ATOM 0 H HIS A 103 2.956 -9.676 -0.023 1.00 0.00 H new ATOM 0 HA HIS A 103 2.642 -10.520 2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.964 -8.408 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.270 -9.428 2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.742 -6.612 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 103 2.485 -6.827 6.202 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.392 -5.505 4.226 1.00 0.00 H new ATOM 1701 N ASP A 104 0.510 -11.916 1.980 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.299 -13.020 1.469 1.00 0.00 C ATOM 1703 C ASP A 104 -1.769 -12.827 1.836 1.00 0.00 C ATOM 1704 O ASP A 104 -2.087 -12.326 2.915 1.00 0.00 O ATOM 1705 CB ASP A 104 0.213 -14.354 2.015 1.00 0.00 C ATOM 1706 CG ASP A 104 1.218 -15.006 1.085 1.00 0.00 C ATOM 1707 OD1 ASP A 104 0.790 -15.697 0.137 1.00 0.00 O ATOM 1708 OD2 ASP A 104 2.434 -14.818 1.303 1.00 0.00 O ATOM 0 H ASP A 104 0.351 -11.697 2.963 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.214 -13.031 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.674 -14.193 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.629 -15.029 2.168 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.661 -13.222 0.928 1.00 0.00 N ATOM 1714 CA LEU A 105 -4.097 -13.086 1.154 1.00 0.00 C ATOM 1715 C LEU A 105 -4.825 -14.396 0.856 1.00 0.00 C ATOM 1716 O LEU A 105 -5.281 -14.621 -0.264 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.660 -11.954 0.287 1.00 0.00 C ATOM 1718 CG LEU A 105 -6.165 -11.706 0.433 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.442 -10.740 1.575 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.742 -11.173 -0.869 1.00 0.00 C ATOM 0 H LEU A 105 -2.413 -13.638 0.030 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.257 -12.843 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.131 -11.033 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.445 -12.177 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.649 -12.655 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.516 -10.577 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.062 -11.159 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.946 -9.790 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.812 -11.002 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.251 -10.235 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.577 -11.900 -1.664 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.932 -15.256 1.869 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.610 -16.547 1.719 1.00 0.00 C ATOM 1734 C ASN A 106 -5.761 -17.245 3.073 1.00 0.00 C ATOM 1735 O ASN A 106 -5.548 -18.455 3.188 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.842 -17.446 0.739 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.686 -18.592 0.215 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -6.825 -18.269 -0.394 1.00 0.00 O flip ATOM 1739 ND2 ASN A 106 -5.321 -19.760 0.351 1.00 0.00 N flip ATOM 0 H ASN A 106 -4.559 -15.084 2.802 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.606 -16.362 1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.490 -16.845 -0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.959 -17.848 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.441 -19.968 0.824 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.898 -20.520 -0.009 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.123 -16.475 4.101 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.293 -17.017 5.444 1.00 0.00 C ATOM 1748 C PHE A 107 -7.484 -16.376 6.150 1.00 0.00 C ATOM 1749 O PHE A 107 -7.603 -15.150 6.189 1.00 0.00 O ATOM 1750 CB PHE A 107 -5.024 -16.794 6.270 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.805 -17.462 5.698 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -3.032 -16.822 4.740 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -3.437 -18.732 6.113 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.915 -17.436 4.211 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -2.320 -19.350 5.586 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.558 -18.702 4.634 1.00 0.00 C ATOM 0 H PHE A 107 -6.303 -15.474 4.026 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.481 -18.087 5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.837 -15.723 6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.190 -17.165 7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.307 -15.833 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.030 -19.244 6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.320 -16.927 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.043 -20.339 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.684 -19.184 4.221 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.359 -17.211 6.713 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.536 -16.722 7.426 1.00 0.00 C ATOM 1768 C LEU A 108 -9.123 -15.803 8.575 1.00 0.00 C ATOM 1769 O LEU A 108 -8.238 -16.139 9.366 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.376 -17.894 7.957 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.734 -18.708 9.086 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.179 -18.189 10.446 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -10.076 -20.183 8.937 1.00 0.00 C ATOM 0 H LEU A 108 -8.273 -18.227 6.688 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.145 -16.151 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.330 -17.503 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.595 -18.566 7.127 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.652 -18.595 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.711 -18.781 11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.882 -17.146 10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.263 -18.268 10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.613 -20.747 9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.158 -20.312 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.703 -20.548 7.980 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.765 -14.638 8.652 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.473 -13.655 9.693 1.00 0.00 C ATOM 1787 C GLN A 109 -8.056 -13.095 9.534 1.00 0.00 C ATOM 1788 O GLN A 109 -7.256 -13.109 10.473 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.657 -14.277 11.083 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.033 -13.268 12.156 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.524 -13.248 12.444 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -12.250 -12.385 11.952 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.987 -14.199 13.248 1.00 0.00 N ATOM 0 H GLN A 109 -10.496 -14.351 8.001 1.00 0.00 H new ATOM 0 HA GLN A 109 -10.175 -12.828 9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.430 -15.043 11.030 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.733 -14.777 11.374 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.493 -13.501 13.074 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.714 -12.274 11.842 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.350 -14.895 13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.980 -14.233 13.479 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.758 -12.589 8.335 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.453 -12.011 8.045 1.00 0.00 C ATOM 1804 C GLU A 110 -6.415 -10.553 8.475 1.00 0.00 C ATOM 1805 O GLU A 110 -7.346 -9.794 8.208 1.00 0.00 O ATOM 1806 CB GLU A 110 -6.133 -12.105 6.551 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.742 -11.597 6.185 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.851 -12.683 5.606 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -4.304 -13.401 4.686 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.701 -12.813 6.072 1.00 0.00 O ATOM 0 H GLU A 110 -8.409 -12.570 7.550 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.706 -12.576 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.225 -13.144 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.876 -11.535 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.835 -10.786 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.268 -11.180 7.073 1.00 0.00 H new ATOM 1817 N SER A 111 -5.329 -10.173 9.130 1.00 0.00 N ATOM 1818 CA SER A 111 -5.144 -8.806 9.595 1.00 0.00 C ATOM 1819 C SER A 111 -3.675 -8.415 9.467 1.00 0.00 C ATOM 1820 O SER A 111 -3.000 -8.130 10.460 1.00 0.00 O ATOM 1821 CB SER A 111 -5.623 -8.667 11.042 1.00 0.00 C ATOM 1822 OG SER A 111 -5.918 -7.315 11.356 1.00 0.00 O ATOM 0 H SER A 111 -4.555 -10.799 9.354 1.00 0.00 H new ATOM 0 HA SER A 111 -5.739 -8.132 8.978 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.511 -9.281 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.856 -9.042 11.720 1.00 0.00 H new ATOM 0 HG SER A 111 -6.223 -7.254 12.285 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.189 -8.410 8.227 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.806 -8.065 7.946 1.00 0.00 C ATOM 1830 C TYR A 112 -1.722 -6.675 7.343 1.00 0.00 C ATOM 1831 O TYR A 112 -2.294 -6.407 6.286 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.180 -9.099 7.008 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.397 -10.171 7.733 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -1.046 -11.177 8.439 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.992 -10.174 7.713 1.00 0.00 C ATOM 1836 CE1 TYR A 112 -0.331 -12.155 9.105 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.711 -11.149 8.376 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.046 -12.137 9.070 1.00 0.00 C ATOM 1839 OH TYR A 112 1.761 -13.109 9.732 1.00 0.00 O ATOM 0 H TYR A 112 -3.740 -8.643 7.401 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.248 -8.068 8.882 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.968 -9.570 6.420 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.520 -8.589 6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.125 -11.195 8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.518 -9.402 7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.850 -12.930 9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.791 -11.137 8.351 1.00 0.00 H new ATOM 0 HH TYR A 112 2.720 -12.952 9.606 1.00 0.00 H new ATOM 1849 N GLU A 113 -1.016 -5.794 8.037 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.863 -4.418 7.592 1.00 0.00 C ATOM 1851 C GLU A 113 0.437 -3.807 8.124 1.00 0.00 C ATOM 1852 O GLU A 113 0.875 -4.126 9.231 1.00 0.00 O ATOM 1853 CB GLU A 113 -2.086 -3.601 8.039 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.987 -3.037 9.454 1.00 0.00 C ATOM 1855 CD GLU A 113 -3.272 -3.179 10.258 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -4.349 -3.373 9.652 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -3.200 -3.088 11.502 1.00 0.00 O ATOM 0 H GLU A 113 -0.539 -6.009 8.913 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.803 -4.400 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.231 -2.776 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.972 -4.232 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.180 -3.544 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.718 -1.982 9.398 1.00 0.00 H new ATOM 1864 N VAL A 114 1.054 -2.935 7.322 1.00 0.00 N ATOM 1865 CA VAL A 114 2.308 -2.288 7.711 1.00 0.00 C ATOM 1866 C VAL A 114 2.209 -0.768 7.627 1.00 0.00 C ATOM 1867 O VAL A 114 1.450 -0.229 6.818 1.00 0.00 O ATOM 1868 CB VAL A 114 3.497 -2.759 6.843 1.00 0.00 C ATOM 1869 CG1 VAL A 114 3.747 -4.245 7.043 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.260 -2.443 5.372 1.00 0.00 C ATOM 0 H VAL A 114 0.706 -2.662 6.403 1.00 0.00 H new ATOM 0 HA VAL A 114 2.487 -2.581 8.746 1.00 0.00 H new ATOM 0 HB VAL A 114 4.386 -2.215 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.588 -4.559 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 114 3.976 -4.438 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.857 -4.805 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.112 -2.785 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.357 -2.950 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.141 -1.367 5.246 1.00 0.00 H new ATOM 1880 N GLU A 115 2.992 -0.086 8.464 1.00 0.00 N ATOM 1881 CA GLU A 115 3.010 1.372 8.491 1.00 0.00 C ATOM 1882 C GLU A 115 4.443 1.892 8.608 1.00 0.00 C ATOM 1883 O GLU A 115 5.079 1.761 9.655 1.00 0.00 O ATOM 1884 CB GLU A 115 2.165 1.888 9.661 1.00 0.00 C ATOM 1885 CG GLU A 115 0.668 1.718 9.449 1.00 0.00 C ATOM 1886 CD GLU A 115 -0.015 1.021 10.609 1.00 0.00 C ATOM 1887 OE1 GLU A 115 -0.016 1.583 11.724 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.554 -0.086 10.401 1.00 0.00 O ATOM 0 H GLU A 115 3.624 -0.525 9.134 1.00 0.00 H new ATOM 0 HA GLU A 115 2.585 1.739 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.457 1.362 10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.384 2.944 9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.213 2.698 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.498 1.146 8.537 1.00 0.00 H new ATOM 1895 N HIS A 116 4.946 2.480 7.521 1.00 0.00 N ATOM 1896 CA HIS A 116 6.305 3.022 7.491 1.00 0.00 C ATOM 1897 C HIS A 116 6.288 4.537 7.294 1.00 0.00 C ATOM 1898 O HIS A 116 5.330 5.092 6.752 1.00 0.00 O ATOM 1899 CB HIS A 116 7.117 2.360 6.373 1.00 0.00 C ATOM 1900 CG HIS A 116 8.256 1.526 6.872 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.164 0.163 7.063 1.00 0.00 N ATOM 1902 CD2 HIS A 116 9.520 1.868 7.219 1.00 0.00 C ATOM 1903 CE1 HIS A 116 9.320 -0.296 7.506 1.00 0.00 C ATOM 1904 NE2 HIS A 116 10.161 0.716 7.609 1.00 0.00 N ATOM 0 H HIS A 116 4.431 2.593 6.648 1.00 0.00 H new ATOM 0 HA HIS A 116 6.774 2.805 8.451 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.454 1.734 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.507 3.134 5.712 1.00 0.00 H new ATOM 0 HD2 HIS A 116 9.945 2.861 7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.540 -1.326 7.744 1.00 0.00 H new ATOM 0 HE2 HIS A 116 11.128 0.654 7.926 1.00 0.00 H new ATOM 1913 N VAL A 117 7.357 5.201 7.738 1.00 0.00 N ATOM 1914 CA VAL A 117 7.471 6.655 7.616 1.00 0.00 C ATOM 1915 C VAL A 117 8.659 7.049 6.734 1.00 0.00 C ATOM 1916 O VAL A 117 9.706 6.399 6.759 1.00 0.00 O ATOM 1917 CB VAL A 117 7.613 7.329 9.002 1.00 0.00 C ATOM 1918 CG1 VAL A 117 8.867 6.844 9.723 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.619 8.848 8.868 1.00 0.00 C ATOM 0 H VAL A 117 8.157 4.754 8.186 1.00 0.00 H new ATOM 0 HA VAL A 117 6.551 7.005 7.147 1.00 0.00 H new ATOM 0 HB VAL A 117 6.750 7.043 9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 117 8.941 7.334 10.694 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.811 5.765 9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.746 7.086 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.720 9.300 9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.456 9.155 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.685 9.177 8.412 1.00 0.00 H new ATOM 1929 N ILE A 118 8.484 8.120 5.958 1.00 0.00 N ATOM 1930 CA ILE A 118 9.533 8.614 5.068 1.00 0.00 C ATOM 1931 C ILE A 118 9.670 10.133 5.185 1.00 0.00 C ATOM 1932 O ILE A 118 8.779 10.878 4.770 1.00 0.00 O ATOM 1933 CB ILE A 118 9.248 8.240 3.593 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.904 6.751 3.466 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.445 8.588 2.714 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.423 6.458 3.603 1.00 0.00 C ATOM 0 H ILE A 118 7.621 8.663 5.929 1.00 0.00 H new ATOM 0 HA ILE A 118 10.465 8.139 5.375 1.00 0.00 H new ATOM 0 HB ILE A 118 8.389 8.819 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.250 6.388 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.448 6.194 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.228 8.319 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.643 9.658 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.320 8.036 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.253 5.386 3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.075 6.790 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.874 6.987 2.824 1.00 0.00 H new ATOM 1948 N GLN A 119 10.788 10.585 5.752 1.00 0.00 N ATOM 1949 CA GLN A 119 11.044 12.015 5.926 1.00 0.00 C ATOM 1950 C GLN A 119 12.334 12.421 5.217 1.00 0.00 C ATOM 1951 O GLN A 119 13.407 11.894 5.517 1.00 0.00 O ATOM 1952 CB GLN A 119 11.127 12.363 7.416 1.00 0.00 C ATOM 1953 CG GLN A 119 9.788 12.301 8.136 1.00 0.00 C ATOM 1954 CD GLN A 119 9.922 11.924 9.602 1.00 0.00 C ATOM 1955 OE1 GLN A 119 10.964 11.432 10.038 1.00 0.00 O ATOM 1956 NE2 GLN A 119 8.862 12.149 10.372 1.00 0.00 N ATOM 0 H GLN A 119 11.532 9.980 6.099 1.00 0.00 H new ATOM 0 HA GLN A 119 10.217 12.568 5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.822 11.678 7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.541 13.366 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 119 9.294 13.270 8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.146 11.575 7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.018 12.558 9.971 1.00 0.00 H new ATOM 0 HE22 GLN A 119 8.893 11.912 11.364 1.00 0.00 H new ATOM 1965 N ILE A 120 12.221 13.361 4.276 1.00 0.00 N ATOM 1966 CA ILE A 120 13.379 13.837 3.520 1.00 0.00 C ATOM 1967 C ILE A 120 13.254 15.329 3.192 1.00 0.00 C ATOM 1968 O ILE A 120 12.964 15.705 2.057 1.00 0.00 O ATOM 1969 CB ILE A 120 13.568 13.040 2.205 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.244 12.941 1.437 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.125 11.654 2.495 1.00 0.00 C ATOM 1972 CD1 ILE A 120 12.288 13.594 0.073 1.00 0.00 C ATOM 0 H ILE A 120 11.340 13.807 4.020 1.00 0.00 H new ATOM 0 HA ILE A 120 14.252 13.682 4.154 1.00 0.00 H new ATOM 0 HB ILE A 120 14.285 13.574 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 120 11.979 11.890 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.455 13.405 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.251 11.109 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.090 11.747 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.434 11.112 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.319 13.486 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.522 14.653 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.055 13.114 -0.535 1.00 0.00 H new ATOM 1984 N PRO A 121 13.469 16.206 4.190 1.00 0.00 N ATOM 1985 CA PRO A 121 13.373 17.658 4.003 1.00 0.00 C ATOM 1986 C PRO A 121 14.555 18.256 3.227 1.00 0.00 C ATOM 1987 O PRO A 121 14.598 19.468 3.010 1.00 0.00 O ATOM 1988 CB PRO A 121 13.344 18.217 5.434 1.00 0.00 C ATOM 1989 CG PRO A 121 13.287 17.035 6.350 1.00 0.00 C ATOM 1990 CD PRO A 121 13.811 15.861 5.574 1.00 0.00 C ATOM 0 HA PRO A 121 12.496 17.912 3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 121 14.230 18.820 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.479 18.864 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.888 17.208 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.265 16.853 6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 121 14.886 15.737 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 121 13.341 14.928 5.886 1.00 0.00 H new