USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 693 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 68 LYS NZ :NH3+ -126:sc= 0.0455 (180deg=0) USER MOD Set 1.2: A 89 SER OG : rot -56:sc= 0.172 USER MOD Set 2.1: A 35 GLN : amide:sc= -0.751 K(o=-0.76,f=0.66) USER MOD Set 2.2: A 39 LYS NZ :NH3+ 150:sc= -0.0126 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.1) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 20 THR OG1 : rot -14:sc= 0.991 USER MOD Single : A 21 CYS SG : rot 110:sc= -0.919 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0966 USER MOD Single : A 30 GLN : amide:sc= -3.18! K(o=-3.2!,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -74:sc= -2.33! USER MOD Single : A 43 GLN : amide:sc= 0.265 K(o=0.27,f=-0.85) USER MOD Single : A 44 ASN : amide:sc= -3.04! C(o=-3!,f=-8.5!) USER MOD Single : A 51 THR OG1 : rot -146:sc= -0.287! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -7.03! C(o=-7!,f=-5.8!) USER MOD Single : A 63 THR OG1 : rot -39:sc= 0.88 USER MOD Single : A 64 SER OG : rot -128:sc= -0.917 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 74:sc= -0.0777 USER MOD Single : A 74 ASN : amide:sc= -0.0347 K(o=-0.035,f=-0.89) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-1) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.318 -10.200 -24.543 1.00 0.00 N ATOM 2 CA GLY A 1 5.476 -9.990 -23.380 1.00 0.00 C ATOM 3 C GLY A 1 4.075 -9.544 -23.751 1.00 0.00 C ATOM 4 O GLY A 1 3.148 -10.353 -23.789 1.00 0.00 O ATOM 0 H1 GLY A 1 7.264 -10.504 -24.236 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.898 -10.934 -25.148 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.396 -9.313 -25.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.419 -10.914 -22.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.934 -9.240 -22.735 1.00 0.00 H new ATOM 8 N SER A 2 3.921 -8.252 -24.025 1.00 0.00 N ATOM 9 CA SER A 2 2.622 -7.698 -24.389 1.00 0.00 C ATOM 10 C SER A 2 2.763 -6.681 -25.517 1.00 0.00 C ATOM 11 O SER A 2 3.872 -6.370 -25.953 1.00 0.00 O ATOM 12 CB SER A 2 1.965 -7.042 -23.174 1.00 0.00 C ATOM 13 OG SER A 2 1.737 -7.988 -22.144 1.00 0.00 O ATOM 0 H SER A 2 4.679 -7.570 -24.002 1.00 0.00 H new ATOM 0 HA SER A 2 1.990 -8.515 -24.737 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.602 -6.240 -22.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.020 -6.587 -23.469 1.00 0.00 H new ATOM 0 HG SER A 2 1.318 -7.543 -21.378 1.00 0.00 H new ATOM 19 N SER A 3 1.631 -6.166 -25.986 1.00 0.00 N ATOM 20 CA SER A 3 1.626 -5.186 -27.066 1.00 0.00 C ATOM 21 C SER A 3 1.280 -3.797 -26.538 1.00 0.00 C ATOM 22 O SER A 3 0.122 -3.502 -26.248 1.00 0.00 O ATOM 23 CB SER A 3 0.627 -5.595 -28.150 1.00 0.00 C ATOM 24 OG SER A 3 1.145 -6.643 -28.951 1.00 0.00 O ATOM 0 H SER A 3 0.705 -6.411 -25.635 1.00 0.00 H new ATOM 0 HA SER A 3 2.626 -5.153 -27.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.307 -5.914 -27.687 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.394 -4.735 -28.777 1.00 0.00 H new ATOM 0 HG SER A 3 0.487 -6.888 -29.635 1.00 0.00 H new ATOM 30 N GLY A 4 2.296 -2.947 -26.416 1.00 0.00 N ATOM 31 CA GLY A 4 2.080 -1.600 -25.923 1.00 0.00 C ATOM 32 C GLY A 4 2.056 -1.533 -24.408 1.00 0.00 C ATOM 33 O GLY A 4 1.001 -1.337 -23.805 1.00 0.00 O ATOM 0 H GLY A 4 3.264 -3.168 -26.650 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.868 -0.948 -26.300 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.137 -1.220 -26.315 1.00 0.00 H new ATOM 37 N SER A 5 3.222 -1.699 -23.792 1.00 0.00 N ATOM 38 CA SER A 5 3.330 -1.662 -22.338 1.00 0.00 C ATOM 39 C SER A 5 2.690 -0.395 -21.778 1.00 0.00 C ATOM 40 O SER A 5 1.938 -0.445 -20.805 1.00 0.00 O ATOM 41 CB SER A 5 4.798 -1.737 -21.913 1.00 0.00 C ATOM 42 OG SER A 5 5.287 -3.064 -22.001 1.00 0.00 O ATOM 0 H SER A 5 4.105 -1.860 -24.277 1.00 0.00 H new ATOM 0 HA SER A 5 2.798 -2.525 -21.936 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.397 -1.083 -22.546 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.903 -1.374 -20.890 1.00 0.00 H new ATOM 0 HG SER A 5 6.227 -3.085 -21.726 1.00 0.00 H new ATOM 48 N SER A 6 2.996 0.739 -22.399 1.00 0.00 N ATOM 49 CA SER A 6 2.455 2.021 -21.961 1.00 0.00 C ATOM 50 C SER A 6 0.969 2.125 -22.294 1.00 0.00 C ATOM 51 O SER A 6 0.517 1.637 -23.328 1.00 0.00 O ATOM 52 CB SER A 6 3.218 3.172 -22.619 1.00 0.00 C ATOM 53 OG SER A 6 4.421 3.450 -21.922 1.00 0.00 O ATOM 0 H SER A 6 3.616 0.797 -23.207 1.00 0.00 H new ATOM 0 HA SER A 6 2.573 2.087 -20.879 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.444 2.918 -23.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.591 4.064 -22.639 1.00 0.00 H new ATOM 0 HG SER A 6 4.891 4.188 -22.363 1.00 0.00 H new ATOM 59 N GLY A 7 0.215 2.766 -21.406 1.00 0.00 N ATOM 60 CA GLY A 7 -1.212 2.924 -21.622 1.00 0.00 C ATOM 61 C GLY A 7 -1.894 3.652 -20.481 1.00 0.00 C ATOM 62 O GLY A 7 -1.835 4.878 -20.395 1.00 0.00 O ATOM 0 H GLY A 7 0.566 3.178 -20.542 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.377 3.473 -22.549 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.668 1.942 -21.747 1.00 0.00 H new ATOM 66 N ASN A 8 -2.544 2.895 -19.603 1.00 0.00 N ATOM 67 CA ASN A 8 -3.243 3.477 -18.462 1.00 0.00 C ATOM 68 C ASN A 8 -2.273 3.767 -17.321 1.00 0.00 C ATOM 69 O ASN A 8 -2.686 3.976 -16.180 1.00 0.00 O ATOM 70 CB ASN A 8 -4.348 2.535 -17.980 1.00 0.00 C ATOM 71 CG ASN A 8 -5.310 3.214 -17.025 1.00 0.00 C ATOM 72 OD1 ASN A 8 -5.151 3.136 -15.806 1.00 0.00 O ATOM 73 ND2 ASN A 8 -6.315 3.885 -17.575 1.00 0.00 N ATOM 0 H ASN A 8 -2.601 1.878 -19.659 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.691 4.418 -18.783 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.900 2.157 -18.840 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.898 1.674 -17.487 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.994 4.362 -16.982 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.408 3.923 -18.590 1.00 0.00 H new ATOM 80 N ASP A 9 -0.982 3.778 -17.637 1.00 0.00 N ATOM 81 CA ASP A 9 0.047 4.044 -16.638 1.00 0.00 C ATOM 82 C ASP A 9 0.866 5.274 -17.017 1.00 0.00 C ATOM 83 O ASP A 9 1.454 5.332 -18.096 1.00 0.00 O ATOM 84 CB ASP A 9 0.966 2.831 -16.486 1.00 0.00 C ATOM 85 CG ASP A 9 1.989 2.737 -17.602 1.00 0.00 C ATOM 86 OD1 ASP A 9 3.003 3.463 -17.540 1.00 0.00 O ATOM 87 OD2 ASP A 9 1.775 1.936 -18.536 1.00 0.00 O ATOM 0 H ASP A 9 -0.624 3.606 -18.576 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.447 4.237 -15.686 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.482 2.887 -15.528 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.364 1.922 -16.471 1.00 0.00 H new ATOM 92 N ALA A 10 0.897 6.256 -16.121 1.00 0.00 N ATOM 93 CA ALA A 10 1.645 7.485 -16.361 1.00 0.00 C ATOM 94 C ALA A 10 2.943 7.502 -15.561 1.00 0.00 C ATOM 95 O ALA A 10 2.937 7.309 -14.345 1.00 0.00 O ATOM 96 CB ALA A 10 0.792 8.697 -16.015 1.00 0.00 C ATOM 0 H ALA A 10 0.413 6.225 -15.223 1.00 0.00 H new ATOM 0 HA ALA A 10 1.901 7.526 -17.420 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.362 9.608 -16.199 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.105 8.699 -16.634 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.507 8.653 -14.964 1.00 0.00 H new ATOM 102 N VAL A 11 4.055 7.736 -16.251 1.00 0.00 N ATOM 103 CA VAL A 11 5.361 7.779 -15.605 1.00 0.00 C ATOM 104 C VAL A 11 5.375 8.788 -14.462 1.00 0.00 C ATOM 105 O VAL A 11 5.948 8.534 -13.403 1.00 0.00 O ATOM 106 CB VAL A 11 6.472 8.140 -16.608 1.00 0.00 C ATOM 107 CG1 VAL A 11 6.204 9.500 -17.235 1.00 0.00 C ATOM 108 CG2 VAL A 11 7.832 8.117 -15.927 1.00 0.00 C ATOM 0 H VAL A 11 4.077 7.899 -17.258 1.00 0.00 H new ATOM 0 HA VAL A 11 5.551 6.782 -15.208 1.00 0.00 H new ATOM 0 HB VAL A 11 6.476 7.394 -17.403 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.000 9.738 -17.941 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.249 9.477 -17.759 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.172 10.260 -16.455 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.606 8.374 -16.650 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.843 8.840 -15.111 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.024 7.120 -15.530 1.00 0.00 H new ATOM 118 N ASP A 12 4.741 9.934 -14.684 1.00 0.00 N ATOM 119 CA ASP A 12 4.679 10.982 -13.673 1.00 0.00 C ATOM 120 C ASP A 12 4.351 10.397 -12.303 1.00 0.00 C ATOM 121 O ASP A 12 4.692 10.975 -11.271 1.00 0.00 O ATOM 122 CB ASP A 12 3.633 12.030 -14.057 1.00 0.00 C ATOM 123 CG ASP A 12 4.024 12.812 -15.295 1.00 0.00 C ATOM 124 OD1 ASP A 12 4.890 13.705 -15.184 1.00 0.00 O ATOM 125 OD2 ASP A 12 3.465 12.531 -16.375 1.00 0.00 O ATOM 0 H ASP A 12 4.263 10.161 -15.556 1.00 0.00 H new ATOM 0 HA ASP A 12 5.658 11.459 -13.620 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.676 11.538 -14.229 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.492 12.720 -13.225 1.00 0.00 H new ATOM 130 N PHE A 13 3.686 9.246 -12.300 1.00 0.00 N ATOM 131 CA PHE A 13 3.310 8.583 -11.057 1.00 0.00 C ATOM 132 C PHE A 13 2.573 9.545 -10.129 1.00 0.00 C ATOM 133 O PHE A 13 2.801 9.554 -8.920 1.00 0.00 O ATOM 134 CB PHE A 13 4.551 8.028 -10.355 1.00 0.00 C ATOM 135 CG PHE A 13 4.991 6.693 -10.882 1.00 0.00 C ATOM 136 CD1 PHE A 13 4.064 5.696 -11.142 1.00 0.00 C ATOM 137 CD2 PHE A 13 6.331 6.433 -11.117 1.00 0.00 C ATOM 138 CE1 PHE A 13 4.467 4.466 -11.627 1.00 0.00 C ATOM 139 CE2 PHE A 13 6.740 5.205 -11.602 1.00 0.00 C ATOM 140 CZ PHE A 13 5.806 4.220 -11.858 1.00 0.00 C ATOM 0 H PHE A 13 3.396 8.753 -13.145 1.00 0.00 H new ATOM 0 HA PHE A 13 2.641 7.758 -11.302 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.369 8.740 -10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.346 7.939 -9.288 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.015 5.882 -10.964 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.066 7.199 -10.919 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.735 3.697 -11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.788 5.016 -11.781 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.122 3.260 -12.238 1.00 0.00 H new ATOM 150 N SER A 14 1.689 10.353 -10.705 1.00 0.00 N ATOM 151 CA SER A 14 0.922 11.322 -9.931 1.00 0.00 C ATOM 152 C SER A 14 -0.276 10.656 -9.261 1.00 0.00 C ATOM 153 O SER A 14 -0.352 10.542 -8.038 1.00 0.00 O ATOM 154 CB SER A 14 0.447 12.464 -10.831 1.00 0.00 C ATOM 155 OG SER A 14 1.332 13.569 -10.763 1.00 0.00 O ATOM 0 H SER A 14 1.486 10.356 -11.705 1.00 0.00 H new ATOM 0 HA SER A 14 1.572 11.726 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.376 12.114 -11.861 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.553 12.776 -10.530 1.00 0.00 H new ATOM 0 HG SER A 14 1.007 14.285 -11.348 1.00 0.00 H new ATOM 161 N PRO A 15 -1.236 10.204 -10.082 1.00 0.00 N ATOM 162 CA PRO A 15 -2.449 9.541 -9.593 1.00 0.00 C ATOM 163 C PRO A 15 -2.160 8.161 -9.012 1.00 0.00 C ATOM 164 O PRO A 15 -3.073 7.448 -8.594 1.00 0.00 O ATOM 165 CB PRO A 15 -3.318 9.422 -10.847 1.00 0.00 C ATOM 166 CG PRO A 15 -2.351 9.423 -11.980 1.00 0.00 C ATOM 167 CD PRO A 15 -1.212 10.306 -11.551 1.00 0.00 C ATOM 0 HA PRO A 15 -2.920 10.098 -8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.910 8.507 -10.833 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.018 10.254 -10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.002 8.413 -12.196 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.817 9.801 -12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.262 9.965 -11.962 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.353 11.334 -11.885 1.00 0.00 H new ATOM 175 N THR A 16 -0.884 7.789 -8.988 1.00 0.00 N ATOM 176 CA THR A 16 -0.475 6.494 -8.458 1.00 0.00 C ATOM 177 C THR A 16 0.768 6.624 -7.586 1.00 0.00 C ATOM 178 O THR A 16 1.684 7.382 -7.904 1.00 0.00 O ATOM 179 CB THR A 16 -0.192 5.489 -9.590 1.00 0.00 C ATOM 180 OG1 THR A 16 0.836 5.995 -10.449 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.450 5.218 -10.401 1.00 0.00 C ATOM 0 H THR A 16 -0.116 8.366 -9.330 1.00 0.00 H new ATOM 0 HA THR A 16 -1.302 6.125 -7.852 1.00 0.00 H new ATOM 0 HB THR A 16 0.139 4.553 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.011 5.349 -11.165 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.225 4.505 -11.194 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.221 4.805 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.807 6.149 -10.840 1.00 0.00 H new ATOM 189 N LEU A 17 0.794 5.880 -6.486 1.00 0.00 N ATOM 190 CA LEU A 17 1.927 5.912 -5.568 1.00 0.00 C ATOM 191 C LEU A 17 2.352 4.499 -5.179 1.00 0.00 C ATOM 192 O LEU A 17 1.526 3.617 -4.945 1.00 0.00 O ATOM 193 CB LEU A 17 1.571 6.713 -4.314 1.00 0.00 C ATOM 194 CG LEU A 17 0.978 8.097 -4.577 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.404 8.686 -3.298 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.031 9.024 -5.166 1.00 0.00 C ATOM 0 H LEU A 17 0.044 5.247 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 17 2.761 6.396 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.860 6.136 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.470 6.829 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 17 0.168 7.992 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.013 9.671 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.381 8.033 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.194 8.777 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.592 10.005 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.862 9.122 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.395 8.610 -6.106 1.00 0.00 H new ATOM 208 N PRO A 18 3.673 4.278 -5.108 1.00 0.00 N ATOM 209 CA PRO A 18 4.240 2.975 -4.748 1.00 0.00 C ATOM 210 C PRO A 18 4.003 2.625 -3.282 1.00 0.00 C ATOM 211 O PRO A 18 4.501 3.304 -2.384 1.00 0.00 O ATOM 212 CB PRO A 18 5.736 3.151 -5.021 1.00 0.00 C ATOM 213 CG PRO A 18 5.975 4.615 -4.893 1.00 0.00 C ATOM 214 CD PRO A 18 4.716 5.284 -5.373 1.00 0.00 C ATOM 0 HA PRO A 18 3.783 2.162 -5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.337 2.588 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.002 2.792 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.191 4.886 -3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.833 4.924 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.524 6.213 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.773 5.535 -6.432 1.00 0.00 H new ATOM 222 N VAL A 19 3.241 1.562 -3.048 1.00 0.00 N ATOM 223 CA VAL A 19 2.940 1.121 -1.691 1.00 0.00 C ATOM 224 C VAL A 19 3.494 -0.275 -1.431 1.00 0.00 C ATOM 225 O VAL A 19 3.590 -1.098 -2.343 1.00 0.00 O ATOM 226 CB VAL A 19 1.422 1.116 -1.426 1.00 0.00 C ATOM 227 CG1 VAL A 19 0.857 2.524 -1.537 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.717 0.172 -2.389 1.00 0.00 C ATOM 0 H VAL A 19 2.821 0.990 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 19 3.417 1.830 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 19 1.248 0.759 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.216 2.501 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.342 3.169 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.040 2.911 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.354 0.181 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.897 0.497 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.103 -0.839 -2.256 1.00 0.00 H new ATOM 238 N THR A 20 3.860 -0.537 -0.180 1.00 0.00 N ATOM 239 CA THR A 20 4.406 -1.833 0.201 1.00 0.00 C ATOM 240 C THR A 20 4.022 -2.193 1.632 1.00 0.00 C ATOM 241 O THR A 20 4.200 -1.394 2.552 1.00 0.00 O ATOM 242 CB THR A 20 5.941 -1.856 0.073 1.00 0.00 C ATOM 243 OG1 THR A 20 6.510 -0.766 0.806 1.00 0.00 O ATOM 244 CG2 THR A 20 6.363 -1.768 -1.386 1.00 0.00 C ATOM 0 H THR A 20 3.788 0.132 0.587 1.00 0.00 H new ATOM 0 HA THR A 20 3.980 -2.568 -0.482 1.00 0.00 H new ATOM 0 HB THR A 20 6.304 -2.798 0.484 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.806 -0.125 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.451 -1.786 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.952 -2.615 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.989 -0.840 -1.818 1.00 0.00 H new ATOM 252 N CYS A 21 3.494 -3.399 1.812 1.00 0.00 N ATOM 253 CA CYS A 21 3.084 -3.864 3.133 1.00 0.00 C ATOM 254 C CYS A 21 3.734 -5.204 3.463 1.00 0.00 C ATOM 255 O CYS A 21 3.328 -6.245 2.950 1.00 0.00 O ATOM 256 CB CYS A 21 1.562 -3.991 3.202 1.00 0.00 C ATOM 257 SG CYS A 21 0.930 -4.416 4.841 1.00 0.00 S ATOM 0 H CYS A 21 3.340 -4.072 1.061 1.00 0.00 H new ATOM 0 HA CYS A 21 3.413 -3.130 3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.115 -3.049 2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.239 -4.752 2.491 1.00 0.00 H new ATOM 0 HG CYS A 21 0.307 -3.392 5.345 1.00 0.00 H new ATOM 263 N GLY A 22 4.748 -5.168 4.322 1.00 0.00 N ATOM 264 CA GLY A 22 5.439 -6.386 4.705 1.00 0.00 C ATOM 265 C GLY A 22 6.099 -7.073 3.526 1.00 0.00 C ATOM 266 O GLY A 22 7.063 -6.559 2.958 1.00 0.00 O ATOM 0 H GLY A 22 5.103 -4.318 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.195 -6.151 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.730 -7.071 5.171 1.00 0.00 H new ATOM 270 N LYS A 23 5.580 -8.238 3.156 1.00 0.00 N ATOM 271 CA LYS A 23 6.124 -8.998 2.037 1.00 0.00 C ATOM 272 C LYS A 23 5.280 -8.799 0.782 1.00 0.00 C ATOM 273 O LYS A 23 5.383 -9.566 -0.175 1.00 0.00 O ATOM 274 CB LYS A 23 6.190 -10.486 2.388 1.00 0.00 C ATOM 275 CG LYS A 23 4.834 -11.101 2.688 1.00 0.00 C ATOM 276 CD LYS A 23 4.971 -12.502 3.261 1.00 0.00 C ATOM 277 CE LYS A 23 5.064 -13.547 2.160 1.00 0.00 C ATOM 278 NZ LYS A 23 5.843 -14.741 2.592 1.00 0.00 N ATOM 0 H LYS A 23 4.782 -8.677 3.615 1.00 0.00 H new ATOM 0 HA LYS A 23 7.131 -8.632 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.649 -11.026 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.839 -10.618 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.295 -10.469 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.240 -11.137 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.860 -12.554 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.115 -12.720 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.061 -13.855 1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.533 -13.107 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.883 -15.430 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.808 -14.451 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.382 -15.177 3.416 1.00 0.00 H new ATOM 292 N ALA A 24 4.448 -7.762 0.792 1.00 0.00 N ATOM 293 CA ALA A 24 3.590 -7.460 -0.346 1.00 0.00 C ATOM 294 C ALA A 24 3.998 -6.149 -1.009 1.00 0.00 C ATOM 295 O ALA A 24 4.579 -5.272 -0.369 1.00 0.00 O ATOM 296 CB ALA A 24 2.134 -7.402 0.091 1.00 0.00 C ATOM 0 H ALA A 24 4.351 -7.117 1.576 1.00 0.00 H new ATOM 0 HA ALA A 24 3.706 -8.259 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.505 -7.175 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.842 -8.364 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.011 -6.625 0.845 1.00 0.00 H new ATOM 302 N LYS A 25 3.691 -6.020 -2.295 1.00 0.00 N ATOM 303 CA LYS A 25 4.025 -4.816 -3.045 1.00 0.00 C ATOM 304 C LYS A 25 2.918 -4.467 -4.036 1.00 0.00 C ATOM 305 O LYS A 25 2.392 -5.339 -4.725 1.00 0.00 O ATOM 306 CB LYS A 25 5.349 -5.004 -3.789 1.00 0.00 C ATOM 307 CG LYS A 25 6.493 -5.441 -2.892 1.00 0.00 C ATOM 308 CD LYS A 25 7.726 -5.811 -3.701 1.00 0.00 C ATOM 309 CE LYS A 25 7.594 -7.195 -4.316 1.00 0.00 C ATOM 310 NZ LYS A 25 8.104 -8.258 -3.406 1.00 0.00 N ATOM 0 H LYS A 25 3.211 -6.736 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 25 4.127 -3.994 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.212 -5.745 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.618 -4.067 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.740 -4.638 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.180 -6.296 -2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.880 -5.074 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.607 -5.779 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.548 -7.390 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.143 -7.228 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.996 -9.186 -3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.109 -8.087 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.563 -8.244 -2.518 1.00 0.00 H new ATOM 324 N GLY A 26 2.571 -3.185 -4.101 1.00 0.00 N ATOM 325 CA GLY A 26 1.530 -2.744 -5.011 1.00 0.00 C ATOM 326 C GLY A 26 1.621 -1.264 -5.322 1.00 0.00 C ATOM 327 O GLY A 26 2.701 -0.674 -5.268 1.00 0.00 O ATOM 0 H GLY A 26 2.992 -2.444 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.598 -3.312 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.555 -2.961 -4.575 1.00 0.00 H new ATOM 331 N THR A 27 0.483 -0.659 -5.651 1.00 0.00 N ATOM 332 CA THR A 27 0.439 0.762 -5.975 1.00 0.00 C ATOM 333 C THR A 27 -0.944 1.344 -5.706 1.00 0.00 C ATOM 334 O THR A 27 -1.950 0.829 -6.192 1.00 0.00 O ATOM 335 CB THR A 27 0.812 1.014 -7.448 1.00 0.00 C ATOM 336 OG1 THR A 27 2.112 0.481 -7.723 1.00 0.00 O ATOM 337 CG2 THR A 27 0.791 2.502 -7.765 1.00 0.00 C ATOM 0 H THR A 27 -0.420 -1.131 -5.700 1.00 0.00 H new ATOM 0 HA THR A 27 1.169 1.256 -5.334 1.00 0.00 H new ATOM 0 HB THR A 27 0.075 0.514 -8.076 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.341 0.644 -8.662 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.058 2.655 -8.811 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.208 2.899 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.508 3.020 -7.128 1.00 0.00 H new ATOM 345 N LEU A 28 -0.986 2.421 -4.929 1.00 0.00 N ATOM 346 CA LEU A 28 -2.247 3.074 -4.595 1.00 0.00 C ATOM 347 C LEU A 28 -2.637 4.084 -5.669 1.00 0.00 C ATOM 348 O LEU A 28 -1.807 4.868 -6.131 1.00 0.00 O ATOM 349 CB LEU A 28 -2.140 3.772 -3.237 1.00 0.00 C ATOM 350 CG LEU A 28 -3.294 4.716 -2.902 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.395 3.973 -2.163 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.796 5.893 -2.076 1.00 0.00 C ATOM 0 H LEU A 28 -0.162 2.860 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.021 2.309 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.075 3.011 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.208 4.337 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.707 5.100 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.208 4.662 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.771 3.164 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.997 3.560 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.631 6.555 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.357 5.526 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.043 6.441 -2.641 1.00 0.00 H new ATOM 364 N PHE A 29 -3.906 4.060 -6.063 1.00 0.00 N ATOM 365 CA PHE A 29 -4.407 4.972 -7.084 1.00 0.00 C ATOM 366 C PHE A 29 -5.391 5.972 -6.484 1.00 0.00 C ATOM 367 O PHE A 29 -6.550 5.644 -6.235 1.00 0.00 O ATOM 368 CB PHE A 29 -5.083 4.188 -8.211 1.00 0.00 C ATOM 369 CG PHE A 29 -4.128 3.357 -9.019 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.363 2.372 -8.414 1.00 0.00 C ATOM 371 CD2 PHE A 29 -3.997 3.558 -10.384 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.484 1.606 -9.155 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.119 2.795 -11.130 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.362 1.817 -10.515 1.00 0.00 C ATOM 0 H PHE A 29 -4.606 3.419 -5.690 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.559 5.523 -7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.846 3.538 -7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.594 4.887 -8.873 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.455 2.202 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.588 4.320 -10.870 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.892 0.843 -8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.025 2.963 -12.193 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.676 1.218 -11.096 1.00 0.00 H new ATOM 384 N GLN A 30 -4.918 7.193 -6.255 1.00 0.00 N ATOM 385 CA GLN A 30 -5.755 8.241 -5.683 1.00 0.00 C ATOM 386 C GLN A 30 -7.141 8.239 -6.320 1.00 0.00 C ATOM 387 O GLN A 30 -8.152 8.362 -5.629 1.00 0.00 O ATOM 388 CB GLN A 30 -5.096 9.609 -5.870 1.00 0.00 C ATOM 389 CG GLN A 30 -3.589 9.589 -5.679 1.00 0.00 C ATOM 390 CD GLN A 30 -3.026 10.953 -5.332 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.961 11.845 -6.179 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.617 11.124 -4.080 1.00 0.00 N ATOM 0 H GLN A 30 -3.960 7.481 -6.457 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.865 8.042 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.322 9.978 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.534 10.314 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.336 8.884 -4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.116 9.226 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.689 10.358 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.231 12.022 -3.788 1.00 0.00 H new ATOM 401 N GLU A 31 -7.179 8.099 -7.642 1.00 0.00 N ATOM 402 CA GLU A 31 -8.442 8.083 -8.371 1.00 0.00 C ATOM 403 C GLU A 31 -9.359 6.982 -7.847 1.00 0.00 C ATOM 404 O GLU A 31 -10.566 7.178 -7.706 1.00 0.00 O ATOM 405 CB GLU A 31 -8.189 7.883 -9.867 1.00 0.00 C ATOM 406 CG GLU A 31 -7.439 6.602 -10.191 1.00 0.00 C ATOM 407 CD GLU A 31 -6.919 6.575 -11.615 1.00 0.00 C ATOM 408 OE1 GLU A 31 -7.728 6.774 -12.546 1.00 0.00 O ATOM 409 OE2 GLU A 31 -5.703 6.356 -11.800 1.00 0.00 O ATOM 0 H GLU A 31 -6.351 7.995 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.933 9.044 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.145 7.877 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.622 8.732 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.603 6.490 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.099 5.749 -10.033 1.00 0.00 H new ATOM 416 N LYS A 32 -8.777 5.822 -7.560 1.00 0.00 N ATOM 417 CA LYS A 32 -9.539 4.688 -7.051 1.00 0.00 C ATOM 418 C LYS A 32 -9.663 4.754 -5.532 1.00 0.00 C ATOM 419 O LYS A 32 -10.414 3.990 -4.927 1.00 0.00 O ATOM 420 CB LYS A 32 -8.873 3.373 -7.462 1.00 0.00 C ATOM 421 CG LYS A 32 -9.332 2.856 -8.815 1.00 0.00 C ATOM 422 CD LYS A 32 -8.298 1.934 -9.439 1.00 0.00 C ATOM 423 CE LYS A 32 -8.734 1.461 -10.817 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.752 0.378 -10.736 1.00 0.00 N ATOM 0 H LYS A 32 -7.779 5.643 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.539 4.732 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.792 3.514 -7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.081 2.618 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.275 2.322 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.521 3.697 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.344 2.455 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.139 1.072 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.143 2.302 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.865 1.102 -11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.023 0.084 -11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.354 -0.435 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.591 0.728 -10.231 1.00 0.00 H new ATOM 438 N LEU A 33 -8.923 5.674 -4.922 1.00 0.00 N ATOM 439 CA LEU A 33 -8.951 5.840 -3.473 1.00 0.00 C ATOM 440 C LEU A 33 -10.014 6.854 -3.063 1.00 0.00 C ATOM 441 O LEU A 33 -10.678 6.694 -2.038 1.00 0.00 O ATOM 442 CB LEU A 33 -7.579 6.288 -2.964 1.00 0.00 C ATOM 443 CG LEU A 33 -7.400 6.225 -1.447 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.488 4.788 -0.957 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.072 6.847 -1.041 1.00 0.00 C ATOM 0 H LEU A 33 -8.297 6.316 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.200 4.878 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.815 5.667 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.403 7.312 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.204 6.795 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.358 4.764 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.463 4.375 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.706 4.194 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.961 6.794 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.255 6.304 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.047 7.890 -1.357 1.00 0.00 H new ATOM 457 N LYS A 34 -10.171 7.898 -3.869 1.00 0.00 N ATOM 458 CA LYS A 34 -11.153 8.939 -3.593 1.00 0.00 C ATOM 459 C LYS A 34 -12.484 8.330 -3.162 1.00 0.00 C ATOM 460 O LYS A 34 -13.063 8.734 -2.154 1.00 0.00 O ATOM 461 CB LYS A 34 -11.359 9.817 -4.830 1.00 0.00 C ATOM 462 CG LYS A 34 -10.177 10.720 -5.138 1.00 0.00 C ATOM 463 CD LYS A 34 -10.251 11.272 -6.551 1.00 0.00 C ATOM 464 CE LYS A 34 -9.285 12.431 -6.748 1.00 0.00 C ATOM 465 NZ LYS A 34 -9.909 13.738 -6.404 1.00 0.00 N ATOM 0 H LYS A 34 -9.629 8.046 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.773 9.555 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.551 9.177 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.247 10.432 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.152 11.544 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.249 10.162 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.022 10.480 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.268 11.605 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.401 12.276 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.948 12.451 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.219 14.502 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.738 13.898 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.207 13.729 -5.408 1.00 0.00 H new ATOM 479 N GLN A 35 -12.961 7.357 -3.931 1.00 0.00 N ATOM 480 CA GLN A 35 -14.223 6.693 -3.627 1.00 0.00 C ATOM 481 C GLN A 35 -14.264 6.242 -2.170 1.00 0.00 C ATOM 482 O GLN A 35 -15.131 6.660 -1.405 1.00 0.00 O ATOM 483 CB GLN A 35 -14.427 5.491 -4.551 1.00 0.00 C ATOM 484 CG GLN A 35 -14.357 5.841 -6.028 1.00 0.00 C ATOM 485 CD GLN A 35 -15.240 4.951 -6.881 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.948 5.427 -7.769 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.203 3.651 -6.616 1.00 0.00 N ATOM 0 H GLN A 35 -12.493 7.011 -4.769 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.029 7.408 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.670 4.739 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.396 5.040 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.654 6.881 -6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.325 5.757 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.602 3.299 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.776 3.004 -7.157 1.00 0.00 H new ATOM 496 N GLY A 36 -13.319 5.386 -1.794 1.00 0.00 N ATOM 497 CA GLY A 36 -13.265 4.892 -0.430 1.00 0.00 C ATOM 498 C GLY A 36 -12.086 3.969 -0.193 1.00 0.00 C ATOM 499 O GLY A 36 -11.489 3.458 -1.141 1.00 0.00 O ATOM 0 H GLY A 36 -12.590 5.026 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.205 5.736 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.189 4.361 -0.202 1.00 0.00 H new ATOM 503 N ALA A 37 -11.749 3.757 1.074 1.00 0.00 N ATOM 504 CA ALA A 37 -10.633 2.889 1.432 1.00 0.00 C ATOM 505 C ALA A 37 -11.037 1.420 1.364 1.00 0.00 C ATOM 506 O ALA A 37 -10.319 0.546 1.850 1.00 0.00 O ATOM 507 CB ALA A 37 -10.122 3.234 2.823 1.00 0.00 C ATOM 0 H ALA A 37 -12.232 4.174 1.870 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.832 3.052 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.289 2.579 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.786 4.271 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.924 3.100 3.549 1.00 0.00 H new ATOM 513 N SER A 38 -12.190 1.155 0.758 1.00 0.00 N ATOM 514 CA SER A 38 -12.691 -0.208 0.631 1.00 0.00 C ATOM 515 C SER A 38 -12.581 -0.695 -0.811 1.00 0.00 C ATOM 516 O SER A 38 -12.450 -1.892 -1.067 1.00 0.00 O ATOM 517 CB SER A 38 -14.146 -0.285 1.097 1.00 0.00 C ATOM 518 OG SER A 38 -14.979 0.545 0.307 1.00 0.00 O ATOM 0 H SER A 38 -12.795 1.867 0.347 1.00 0.00 H new ATOM 0 HA SER A 38 -12.080 -0.853 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.495 -1.316 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.213 0.017 2.142 1.00 0.00 H new ATOM 0 HG SER A 38 -15.904 0.477 0.624 1.00 0.00 H new ATOM 524 N LYS A 39 -12.634 0.243 -1.751 1.00 0.00 N ATOM 525 CA LYS A 39 -12.539 -0.087 -3.168 1.00 0.00 C ATOM 526 C LYS A 39 -11.117 -0.494 -3.538 1.00 0.00 C ATOM 527 O LYS A 39 -10.149 0.133 -3.107 1.00 0.00 O ATOM 528 CB LYS A 39 -12.978 1.105 -4.021 1.00 0.00 C ATOM 529 CG LYS A 39 -14.349 1.645 -3.653 1.00 0.00 C ATOM 530 CD LYS A 39 -15.454 0.685 -4.061 1.00 0.00 C ATOM 531 CE LYS A 39 -16.831 1.287 -3.825 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.311 2.053 -5.009 1.00 0.00 N ATOM 0 H LYS A 39 -12.742 1.238 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.202 -0.930 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.243 1.904 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.983 0.808 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.396 1.820 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.504 2.608 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.344 0.428 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.359 -0.242 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.540 0.492 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.796 1.945 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.349 2.012 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.006 3.044 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.913 1.638 -5.876 1.00 0.00 H new ATOM 546 N LYS A 40 -10.997 -1.547 -4.340 1.00 0.00 N ATOM 547 CA LYS A 40 -9.693 -2.037 -4.770 1.00 0.00 C ATOM 548 C LYS A 40 -8.904 -0.937 -5.473 1.00 0.00 C ATOM 549 O LYS A 40 -9.171 -0.612 -6.631 1.00 0.00 O ATOM 550 CB LYS A 40 -9.859 -3.237 -5.705 1.00 0.00 C ATOM 551 CG LYS A 40 -10.784 -4.310 -5.158 1.00 0.00 C ATOM 552 CD LYS A 40 -10.016 -5.362 -4.375 1.00 0.00 C ATOM 553 CE LYS A 40 -10.835 -6.631 -4.195 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.718 -7.538 -5.371 1.00 0.00 N ATOM 0 H LYS A 40 -11.788 -2.078 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.139 -2.348 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.246 -2.890 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.880 -3.676 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.534 -3.851 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.318 -4.785 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.087 -5.598 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.742 -4.963 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.502 -7.154 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.882 -6.369 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.290 -8.391 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.059 -7.048 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.723 -7.809 -5.503 1.00 0.00 H new ATOM 568 N CYS A 41 -7.932 -0.369 -4.768 1.00 0.00 N ATOM 569 CA CYS A 41 -7.103 0.694 -5.325 1.00 0.00 C ATOM 570 C CYS A 41 -5.640 0.267 -5.388 1.00 0.00 C ATOM 571 O CYS A 41 -4.876 0.755 -6.221 1.00 0.00 O ATOM 572 CB CYS A 41 -7.240 1.967 -4.489 1.00 0.00 C ATOM 573 SG CYS A 41 -6.847 1.745 -2.738 1.00 0.00 S ATOM 0 H CYS A 41 -7.699 -0.627 -3.809 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.447 0.895 -6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.585 2.733 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.261 2.339 -4.577 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.816 1.106 -2.153 1.00 0.00 H new ATOM 579 N ILE A 42 -5.257 -0.646 -4.501 1.00 0.00 N ATOM 580 CA ILE A 42 -3.886 -1.138 -4.456 1.00 0.00 C ATOM 581 C ILE A 42 -3.664 -2.243 -5.483 1.00 0.00 C ATOM 582 O ILE A 42 -4.211 -3.338 -5.357 1.00 0.00 O ATOM 583 CB ILE A 42 -3.526 -1.672 -3.057 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.636 -0.556 -2.017 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.124 -2.264 -3.061 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.555 -1.050 -0.589 1.00 0.00 C ATOM 0 H ILE A 42 -5.877 -1.059 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.239 -0.293 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.231 -2.460 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.840 0.169 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.581 -0.031 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.884 -2.637 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.078 -3.084 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.405 -1.495 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.640 -0.205 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.367 -1.752 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.599 -1.550 -0.430 1.00 0.00 H new ATOM 598 N GLN A 43 -2.858 -1.947 -6.497 1.00 0.00 N ATOM 599 CA GLN A 43 -2.563 -2.917 -7.546 1.00 0.00 C ATOM 600 C GLN A 43 -1.198 -3.561 -7.323 1.00 0.00 C ATOM 601 O GLN A 43 -0.180 -2.874 -7.261 1.00 0.00 O ATOM 602 CB GLN A 43 -2.604 -2.244 -8.919 1.00 0.00 C ATOM 603 CG GLN A 43 -2.944 -3.197 -10.053 1.00 0.00 C ATOM 604 CD GLN A 43 -2.787 -2.558 -11.419 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.902 -1.728 -11.630 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.646 -2.942 -12.355 1.00 0.00 N ATOM 0 H GLN A 43 -2.398 -1.044 -6.615 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.323 -3.697 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.339 -1.440 -8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.636 -1.785 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.300 -4.074 -9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.970 -3.545 -9.935 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.364 -3.633 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.588 -2.546 -13.293 1.00 0.00 H new ATOM 615 N ASN A 44 -1.187 -4.885 -7.203 1.00 0.00 N ATOM 616 CA ASN A 44 0.053 -5.622 -6.986 1.00 0.00 C ATOM 617 C ASN A 44 0.773 -5.876 -8.307 1.00 0.00 C ATOM 618 O ASN A 44 0.293 -5.487 -9.371 1.00 0.00 O ATOM 619 CB ASN A 44 -0.236 -6.951 -6.285 1.00 0.00 C ATOM 620 CG ASN A 44 -0.563 -8.062 -7.265 1.00 0.00 C ATOM 621 OD1 ASN A 44 0.197 -9.020 -7.411 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.698 -7.938 -7.942 1.00 0.00 N ATOM 0 H ASN A 44 -2.022 -5.469 -7.252 1.00 0.00 H new ATOM 0 HA ASN A 44 0.700 -5.017 -6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.629 -7.240 -5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.070 -6.821 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.971 -8.654 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.297 -7.127 -7.789 1.00 0.00 H new ATOM 629 N GLU A 45 1.926 -6.532 -8.229 1.00 0.00 N ATOM 630 CA GLU A 45 2.712 -6.838 -9.419 1.00 0.00 C ATOM 631 C GLU A 45 1.873 -7.594 -10.445 1.00 0.00 C ATOM 632 O GLU A 45 2.045 -7.421 -11.651 1.00 0.00 O ATOM 633 CB GLU A 45 3.945 -7.663 -9.044 1.00 0.00 C ATOM 634 CG GLU A 45 4.839 -6.989 -8.017 1.00 0.00 C ATOM 635 CD GLU A 45 5.778 -5.973 -8.638 1.00 0.00 C ATOM 636 OE1 GLU A 45 5.353 -4.817 -8.840 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.940 -6.335 -8.921 1.00 0.00 O ATOM 0 H GLU A 45 2.337 -6.862 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 45 3.035 -5.896 -9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.621 -8.628 -8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.526 -7.862 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.219 -6.495 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.423 -7.747 -7.496 1.00 0.00 H new ATOM 644 N ALA A 46 0.966 -8.433 -9.957 1.00 0.00 N ATOM 645 CA ALA A 46 0.099 -9.215 -10.830 1.00 0.00 C ATOM 646 C ALA A 46 -0.989 -8.343 -11.447 1.00 0.00 C ATOM 647 O ALA A 46 -1.833 -8.826 -12.200 1.00 0.00 O ATOM 648 CB ALA A 46 -0.521 -10.371 -10.060 1.00 0.00 C ATOM 0 H ALA A 46 0.812 -8.589 -8.961 1.00 0.00 H new ATOM 0 HA ALA A 46 0.708 -9.618 -11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.166 -10.946 -10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.268 -11.015 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.110 -9.981 -9.230 1.00 0.00 H new ATOM 654 N GLY A 47 -0.963 -7.054 -11.122 1.00 0.00 N ATOM 655 CA GLY A 47 -1.953 -6.135 -11.653 1.00 0.00 C ATOM 656 C GLY A 47 -3.292 -6.258 -10.953 1.00 0.00 C ATOM 657 O GLY A 47 -4.156 -5.393 -11.095 1.00 0.00 O ATOM 0 H GLY A 47 -0.274 -6.630 -10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.587 -5.113 -11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.085 -6.323 -12.718 1.00 0.00 H new ATOM 661 N ASP A 48 -3.466 -7.336 -10.197 1.00 0.00 N ATOM 662 CA ASP A 48 -4.710 -7.571 -9.473 1.00 0.00 C ATOM 663 C ASP A 48 -4.900 -6.534 -8.371 1.00 0.00 C ATOM 664 O ASP A 48 -4.094 -6.444 -7.444 1.00 0.00 O ATOM 665 CB ASP A 48 -4.719 -8.978 -8.875 1.00 0.00 C ATOM 666 CG ASP A 48 -4.878 -10.055 -9.929 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.018 -10.269 -10.392 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.862 -10.685 -10.292 1.00 0.00 O ATOM 0 H ASP A 48 -2.761 -8.062 -10.069 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.536 -7.480 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.790 -9.143 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.532 -9.057 -8.153 1.00 0.00 H new ATOM 673 N TRP A 49 -5.969 -5.753 -8.478 1.00 0.00 N ATOM 674 CA TRP A 49 -6.264 -4.721 -7.491 1.00 0.00 C ATOM 675 C TRP A 49 -6.636 -5.342 -6.149 1.00 0.00 C ATOM 676 O TRP A 49 -7.159 -6.455 -6.093 1.00 0.00 O ATOM 677 CB TRP A 49 -7.400 -3.824 -7.984 1.00 0.00 C ATOM 678 CG TRP A 49 -7.097 -3.142 -9.284 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.215 -3.675 -10.536 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.624 -1.802 -9.459 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.843 -2.748 -11.479 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.478 -1.590 -10.844 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.313 -0.760 -8.582 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.033 -0.379 -11.368 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.870 0.440 -9.104 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.734 0.623 -10.486 1.00 0.00 C ATOM 0 H TRP A 49 -6.646 -5.815 -9.238 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.367 -4.117 -7.355 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.303 -4.423 -8.098 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.612 -3.069 -7.227 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.551 -4.678 -10.753 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.839 -2.897 -12.488 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.417 -0.890 -7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.928 -0.236 -12.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.624 1.251 -8.435 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.386 1.574 -10.863 1.00 0.00 H new ATOM 697 N LEU A 50 -6.363 -4.617 -5.070 1.00 0.00 N ATOM 698 CA LEU A 50 -6.670 -5.098 -3.727 1.00 0.00 C ATOM 699 C LEU A 50 -7.140 -3.954 -2.834 1.00 0.00 C ATOM 700 O LEU A 50 -6.613 -2.843 -2.898 1.00 0.00 O ATOM 701 CB LEU A 50 -5.442 -5.771 -3.111 1.00 0.00 C ATOM 702 CG LEU A 50 -4.809 -6.870 -3.965 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.333 -7.020 -3.635 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.539 -8.189 -3.762 1.00 0.00 C ATOM 0 H LEU A 50 -5.930 -3.694 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.475 -5.829 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.690 -5.008 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.725 -6.198 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.898 -6.585 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.900 -7.807 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.819 -6.079 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.220 -7.282 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.075 -8.960 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.482 -8.479 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.584 -8.075 -4.050 1.00 0.00 H new ATOM 716 N THR A 51 -8.137 -4.234 -2.000 1.00 0.00 N ATOM 717 CA THR A 51 -8.680 -3.230 -1.094 1.00 0.00 C ATOM 718 C THR A 51 -7.662 -2.844 -0.027 1.00 0.00 C ATOM 719 O THR A 51 -6.879 -3.677 0.428 1.00 0.00 O ATOM 720 CB THR A 51 -9.964 -3.730 -0.405 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.654 -4.812 0.480 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.987 -4.187 -1.433 1.00 0.00 C ATOM 0 H THR A 51 -8.585 -5.148 -1.934 1.00 0.00 H new ATOM 0 HA THR A 51 -8.918 -2.355 -1.699 1.00 0.00 H new ATOM 0 HB THR A 51 -10.390 -2.904 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.398 -5.450 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.885 -4.536 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.242 -3.354 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.568 -5.000 -2.027 1.00 0.00 H new ATOM 730 N VAL A 52 -7.678 -1.574 0.368 1.00 0.00 N ATOM 731 CA VAL A 52 -6.757 -1.078 1.383 1.00 0.00 C ATOM 732 C VAL A 52 -6.538 -2.114 2.480 1.00 0.00 C ATOM 733 O VAL A 52 -5.495 -2.131 3.134 1.00 0.00 O ATOM 734 CB VAL A 52 -7.273 0.226 2.019 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.332 0.693 3.119 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.444 1.304 0.960 1.00 0.00 C ATOM 0 H VAL A 52 -8.319 -0.871 0.000 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.810 -0.879 0.881 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.248 0.030 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.713 1.616 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.265 -0.074 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.342 0.872 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.809 2.218 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.484 1.499 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.161 0.968 0.211 1.00 0.00 H new ATOM 746 N LYS A 53 -7.528 -2.978 2.676 1.00 0.00 N ATOM 747 CA LYS A 53 -7.444 -4.020 3.693 1.00 0.00 C ATOM 748 C LYS A 53 -6.761 -5.266 3.139 1.00 0.00 C ATOM 749 O LYS A 53 -5.813 -5.779 3.732 1.00 0.00 O ATOM 750 CB LYS A 53 -8.842 -4.375 4.204 1.00 0.00 C ATOM 751 CG LYS A 53 -9.311 -3.497 5.352 1.00 0.00 C ATOM 752 CD LYS A 53 -10.543 -4.075 6.028 1.00 0.00 C ATOM 753 CE LYS A 53 -11.061 -3.155 7.123 1.00 0.00 C ATOM 754 NZ LYS A 53 -12.323 -3.667 7.727 1.00 0.00 N ATOM 0 H LYS A 53 -8.398 -2.977 2.144 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.847 -3.639 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.552 -4.293 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.848 -5.416 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.509 -3.393 6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.535 -2.497 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.325 -4.235 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.303 -5.049 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.303 -3.052 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.233 -2.161 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.644 -3.012 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.054 -3.742 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.153 -4.605 8.143 1.00 0.00 H new ATOM 768 N GLU A 54 -7.250 -5.747 2.000 1.00 0.00 N ATOM 769 CA GLU A 54 -6.685 -6.933 1.368 1.00 0.00 C ATOM 770 C GLU A 54 -5.164 -6.841 1.300 1.00 0.00 C ATOM 771 O GLU A 54 -4.454 -7.673 1.866 1.00 0.00 O ATOM 772 CB GLU A 54 -7.260 -7.111 -0.039 1.00 0.00 C ATOM 773 CG GLU A 54 -8.536 -7.934 -0.076 1.00 0.00 C ATOM 774 CD GLU A 54 -9.562 -7.467 0.939 1.00 0.00 C ATOM 775 OE1 GLU A 54 -9.237 -7.446 2.145 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.689 -7.123 0.527 1.00 0.00 O ATOM 0 H GLU A 54 -8.035 -5.334 1.497 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.952 -7.799 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.459 -6.129 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.511 -7.589 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.969 -7.881 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.295 -8.980 0.112 1.00 0.00 H new ATOM 783 N PHE A 55 -4.669 -5.824 0.602 1.00 0.00 N ATOM 784 CA PHE A 55 -3.232 -5.623 0.458 1.00 0.00 C ATOM 785 C PHE A 55 -2.501 -5.973 1.751 1.00 0.00 C ATOM 786 O PHE A 55 -1.456 -6.623 1.730 1.00 0.00 O ATOM 787 CB PHE A 55 -2.935 -4.174 0.067 1.00 0.00 C ATOM 788 CG PHE A 55 -1.488 -3.924 -0.252 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.818 -4.722 -1.164 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.799 -2.890 0.362 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.513 -4.494 -1.460 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.531 -2.657 0.069 1.00 0.00 C ATOM 793 CZ PHE A 55 1.189 -3.461 -0.841 1.00 0.00 C ATOM 0 H PHE A 55 -5.242 -5.126 0.127 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.875 -6.285 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.541 -3.908 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.238 -3.517 0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.341 -5.532 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.307 -2.260 1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.023 -5.123 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.056 -1.846 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.230 -3.282 -1.068 1.00 0.00 H new ATOM 803 N LEU A 56 -3.059 -5.536 2.875 1.00 0.00 N ATOM 804 CA LEU A 56 -2.461 -5.802 4.179 1.00 0.00 C ATOM 805 C LEU A 56 -2.447 -7.298 4.476 1.00 0.00 C ATOM 806 O LEU A 56 -1.409 -7.863 4.819 1.00 0.00 O ATOM 807 CB LEU A 56 -3.228 -5.059 5.275 1.00 0.00 C ATOM 808 CG LEU A 56 -3.577 -3.607 4.951 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.512 -3.033 6.003 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.313 -2.767 4.845 1.00 0.00 C ATOM 0 H LEU A 56 -3.924 -4.996 2.910 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.431 -5.445 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.151 -5.601 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.635 -5.079 6.189 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.089 -3.583 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.748 -1.998 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.431 -3.619 6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.028 -3.070 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.580 -1.736 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.774 -2.799 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.678 -3.164 4.053 1.00 0.00 H new ATOM 822 N ASN A 57 -3.606 -7.933 4.342 1.00 0.00 N ATOM 823 CA ASN A 57 -3.728 -9.364 4.597 1.00 0.00 C ATOM 824 C ASN A 57 -2.621 -10.139 3.888 1.00 0.00 C ATOM 825 O ASN A 57 -2.054 -11.078 4.445 1.00 0.00 O ATOM 826 CB ASN A 57 -5.096 -9.871 4.136 1.00 0.00 C ATOM 827 CG ASN A 57 -6.180 -9.633 5.170 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.869 -10.563 5.588 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.334 -8.381 5.587 1.00 0.00 N ATOM 0 H ASN A 57 -4.475 -7.480 4.058 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.631 -9.526 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.370 -9.374 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.031 -10.938 3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.047 -8.159 6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.739 -7.642 5.212 1.00 0.00 H new ATOM 836 N GLU A 58 -2.319 -9.737 2.658 1.00 0.00 N ATOM 837 CA GLU A 58 -1.280 -10.394 1.874 1.00 0.00 C ATOM 838 C GLU A 58 0.089 -10.207 2.520 1.00 0.00 C ATOM 839 O GLU A 58 0.944 -11.090 2.456 1.00 0.00 O ATOM 840 CB GLU A 58 -1.263 -9.844 0.446 1.00 0.00 C ATOM 841 CG GLU A 58 -2.145 -10.621 -0.517 1.00 0.00 C ATOM 842 CD GLU A 58 -1.844 -12.107 -0.514 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.688 -12.478 -0.805 1.00 0.00 O ATOM 844 OE2 GLU A 58 -2.765 -12.899 -0.223 1.00 0.00 O ATOM 0 H GLU A 58 -2.779 -8.960 2.183 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.504 -11.460 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.587 -8.803 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.238 -9.853 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.191 -10.465 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.010 -10.229 -1.525 1.00 0.00 H new ATOM 851 N GLY A 59 0.291 -9.049 3.141 1.00 0.00 N ATOM 852 CA GLY A 59 1.558 -8.765 3.789 1.00 0.00 C ATOM 853 C GLY A 59 1.717 -9.508 5.101 1.00 0.00 C ATOM 854 O GLY A 59 2.827 -9.878 5.481 1.00 0.00 O ATOM 0 H GLY A 59 -0.401 -8.302 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.374 -9.037 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.638 -7.693 3.970 1.00 0.00 H new ATOM 858 N GLY A 60 0.605 -9.727 5.795 1.00 0.00 N ATOM 859 CA GLY A 60 0.648 -10.428 7.065 1.00 0.00 C ATOM 860 C GLY A 60 -0.102 -9.694 8.159 1.00 0.00 C ATOM 861 O GLY A 60 -0.041 -10.078 9.327 1.00 0.00 O ATOM 0 H GLY A 60 -0.326 -9.431 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.221 -11.423 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.687 -10.562 7.368 1.00 0.00 H new ATOM 865 N ARG A 61 -0.810 -8.635 7.780 1.00 0.00 N ATOM 866 CA ARG A 61 -1.572 -7.844 8.738 1.00 0.00 C ATOM 867 C ARG A 61 -3.002 -7.631 8.252 1.00 0.00 C ATOM 868 O ARG A 61 -3.256 -6.793 7.387 1.00 0.00 O ATOM 869 CB ARG A 61 -0.894 -6.492 8.970 1.00 0.00 C ATOM 870 CG ARG A 61 0.111 -6.503 10.110 1.00 0.00 C ATOM 871 CD ARG A 61 0.212 -5.140 10.777 1.00 0.00 C ATOM 872 NE ARG A 61 1.386 -5.037 11.639 1.00 0.00 N ATOM 873 CZ ARG A 61 1.474 -4.197 12.664 1.00 0.00 C ATOM 874 NH1 ARG A 61 0.462 -3.390 12.953 1.00 0.00 N ATOM 875 NH2 ARG A 61 2.576 -4.162 13.402 1.00 0.00 N ATOM 0 H ARG A 61 -0.872 -8.305 6.817 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.604 -8.393 9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.388 -6.187 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.658 -5.743 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.183 -7.250 10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.090 -6.797 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.255 -4.365 10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.687 -4.957 11.366 1.00 0.00 H new ATOM 0 HE ARG A 61 2.182 -5.644 11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.387 -3.413 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.532 -2.746 13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.357 -4.781 13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.642 -3.516 14.189 1.00 0.00 H new ATOM 889 N ALA A 62 -3.933 -8.395 8.813 1.00 0.00 N ATOM 890 CA ALA A 62 -5.338 -8.289 8.437 1.00 0.00 C ATOM 891 C ALA A 62 -6.145 -7.586 9.523 1.00 0.00 C ATOM 892 O ALA A 62 -7.056 -6.810 9.231 1.00 0.00 O ATOM 893 CB ALA A 62 -5.915 -9.669 8.158 1.00 0.00 C ATOM 0 H ALA A 62 -3.740 -9.095 9.530 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.401 -7.690 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.964 -9.575 7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.363 -10.136 7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.832 -10.286 9.053 1.00 0.00 H new ATOM 899 N THR A 63 -5.805 -7.861 10.779 1.00 0.00 N ATOM 900 CA THR A 63 -6.499 -7.256 11.909 1.00 0.00 C ATOM 901 C THR A 63 -5.946 -5.870 12.215 1.00 0.00 C ATOM 902 O THR A 63 -6.243 -5.289 13.259 1.00 0.00 O ATOM 903 CB THR A 63 -6.388 -8.132 13.171 1.00 0.00 C ATOM 904 OG1 THR A 63 -7.214 -7.599 14.212 1.00 0.00 O ATOM 905 CG2 THR A 63 -4.946 -8.209 13.650 1.00 0.00 C ATOM 0 H THR A 63 -5.053 -8.499 11.039 1.00 0.00 H new ATOM 0 HA THR A 63 -7.548 -7.171 11.627 1.00 0.00 H new ATOM 0 HB THR A 63 -6.725 -9.138 12.920 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.167 -6.620 14.198 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.892 -8.833 14.542 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.325 -8.642 12.866 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.587 -7.207 13.885 1.00 0.00 H new ATOM 913 N SER A 64 -5.139 -5.343 11.299 1.00 0.00 N ATOM 914 CA SER A 64 -4.541 -4.025 11.474 1.00 0.00 C ATOM 915 C SER A 64 -5.614 -2.940 11.495 1.00 0.00 C ATOM 916 O SER A 64 -6.676 -3.089 10.889 1.00 0.00 O ATOM 917 CB SER A 64 -3.537 -3.744 10.354 1.00 0.00 C ATOM 918 OG SER A 64 -4.151 -3.849 9.081 1.00 0.00 O ATOM 0 H SER A 64 -4.885 -5.809 10.428 1.00 0.00 H new ATOM 0 HA SER A 64 -4.019 -4.014 12.431 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.119 -2.745 10.478 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.707 -4.448 10.420 1.00 0.00 H new ATOM 0 HG SER A 64 -3.626 -4.451 8.513 1.00 0.00 H new ATOM 924 N LYS A 65 -5.329 -1.848 12.196 1.00 0.00 N ATOM 925 CA LYS A 65 -6.267 -0.736 12.297 1.00 0.00 C ATOM 926 C LYS A 65 -5.935 0.349 11.277 1.00 0.00 C ATOM 927 O LYS A 65 -6.746 0.663 10.405 1.00 0.00 O ATOM 928 CB LYS A 65 -6.242 -0.148 13.709 1.00 0.00 C ATOM 929 CG LYS A 65 -6.986 -0.990 14.732 1.00 0.00 C ATOM 930 CD LYS A 65 -6.907 -0.379 16.121 1.00 0.00 C ATOM 931 CE LYS A 65 -8.012 0.641 16.344 1.00 0.00 C ATOM 932 NZ LYS A 65 -7.663 1.611 17.419 1.00 0.00 N ATOM 0 H LYS A 65 -4.455 -1.709 12.703 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.267 -1.116 12.086 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.206 -0.035 14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.679 0.850 13.686 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.030 -1.086 14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.566 -1.996 14.751 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.981 -1.167 16.871 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.937 0.099 16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.201 1.180 15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.935 0.125 16.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.442 2.290 17.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.507 1.099 18.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.796 2.122 17.157 1.00 0.00 H new ATOM 946 N ASP A 66 -4.740 0.916 11.391 1.00 0.00 N ATOM 947 CA ASP A 66 -4.300 1.964 10.478 1.00 0.00 C ATOM 948 C ASP A 66 -3.496 1.376 9.322 1.00 0.00 C ATOM 949 O ASP A 66 -2.388 0.876 9.515 1.00 0.00 O ATOM 950 CB ASP A 66 -3.460 3.002 11.224 1.00 0.00 C ATOM 951 CG ASP A 66 -3.270 4.276 10.425 1.00 0.00 C ATOM 952 OD1 ASP A 66 -3.388 4.221 9.183 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.005 5.329 11.042 1.00 0.00 O ATOM 0 H ASP A 66 -4.058 0.667 12.107 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.186 2.451 10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.941 3.240 12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.485 2.575 11.459 1.00 0.00 H new ATOM 958 N TRP A 67 -4.063 1.438 8.122 1.00 0.00 N ATOM 959 CA TRP A 67 -3.399 0.910 6.936 1.00 0.00 C ATOM 960 C TRP A 67 -2.249 1.816 6.507 1.00 0.00 C ATOM 961 O TRP A 67 -1.238 1.347 5.984 1.00 0.00 O ATOM 962 CB TRP A 67 -4.401 0.760 5.790 1.00 0.00 C ATOM 963 CG TRP A 67 -5.192 2.005 5.526 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.302 2.428 6.199 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.935 2.985 4.515 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.751 3.614 5.667 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.928 3.977 4.634 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.960 3.124 3.523 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.974 5.088 3.796 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.007 4.227 2.692 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.008 5.198 2.834 1.00 0.00 C ATOM 0 H TRP A 67 -4.980 1.848 7.945 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.992 -0.070 7.184 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.865 0.479 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.087 -0.055 6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.760 1.908 7.027 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.565 4.138 5.989 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.183 2.382 3.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.745 5.837 3.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.260 4.343 1.920 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.017 6.050 2.170 1.00 0.00 H new ATOM 982 N LYS A 68 -2.411 3.116 6.731 1.00 0.00 N ATOM 983 CA LYS A 68 -1.386 4.088 6.369 1.00 0.00 C ATOM 984 C LYS A 68 -0.102 3.843 7.155 1.00 0.00 C ATOM 985 O LYS A 68 0.988 4.194 6.706 1.00 0.00 O ATOM 986 CB LYS A 68 -1.890 5.510 6.625 1.00 0.00 C ATOM 987 CG LYS A 68 -3.045 5.917 5.726 1.00 0.00 C ATOM 988 CD LYS A 68 -3.651 7.240 6.162 1.00 0.00 C ATOM 989 CE LYS A 68 -5.094 7.372 5.698 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.788 8.510 6.363 1.00 0.00 N ATOM 0 H LYS A 68 -3.242 3.521 7.162 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.169 3.972 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.204 5.594 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.066 6.210 6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.695 5.998 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.811 5.142 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.608 7.321 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.061 8.063 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.117 7.514 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.630 6.446 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.663 8.169 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.166 8.920 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.021 9.236 5.656 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.240 3.237 8.331 1.00 0.00 N ATOM 1005 CA GLY A 69 0.918 2.955 9.159 1.00 0.00 C ATOM 1006 C GLY A 69 1.667 1.717 8.707 1.00 0.00 C ATOM 1007 O GLY A 69 2.893 1.732 8.592 1.00 0.00 O ATOM 0 H GLY A 69 -1.132 2.937 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.592 3.811 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.598 2.825 10.193 1.00 0.00 H new ATOM 1011 N VAL A 70 0.929 0.642 8.450 1.00 0.00 N ATOM 1012 CA VAL A 70 1.531 -0.610 8.008 1.00 0.00 C ATOM 1013 C VAL A 70 2.113 -0.475 6.605 1.00 0.00 C ATOM 1014 O VAL A 70 3.198 -0.984 6.320 1.00 0.00 O ATOM 1015 CB VAL A 70 0.507 -1.760 8.018 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.005 -2.015 9.431 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.650 -1.451 7.080 1.00 0.00 C ATOM 0 H VAL A 70 -0.087 0.613 8.540 1.00 0.00 H new ATOM 0 HA VAL A 70 2.332 -0.841 8.710 1.00 0.00 H new ATOM 0 HB VAL A 70 1.000 -2.666 7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.718 -2.831 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.844 -2.283 10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.472 -1.114 9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.364 -2.274 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.144 -0.534 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.272 -1.323 6.066 1.00 0.00 H new ATOM 1027 N ILE A 71 1.385 0.213 5.732 1.00 0.00 N ATOM 1028 CA ILE A 71 1.830 0.417 4.359 1.00 0.00 C ATOM 1029 C ILE A 71 2.912 1.489 4.285 1.00 0.00 C ATOM 1030 O ILE A 71 2.750 2.587 4.817 1.00 0.00 O ATOM 1031 CB ILE A 71 0.660 0.820 3.442 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.476 -0.199 3.551 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.134 0.941 2.002 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.701 0.173 2.745 1.00 0.00 C ATOM 0 H ILE A 71 0.484 0.639 5.951 1.00 0.00 H new ATOM 0 HA ILE A 71 2.239 -0.533 4.016 1.00 0.00 H new ATOM 0 HB ILE A 71 0.283 1.791 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.114 -1.172 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.759 -0.305 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.296 1.226 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.913 1.700 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.533 -0.017 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.465 -0.594 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.088 1.131 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.433 0.251 1.691 1.00 0.00 H new ATOM 1046 N ARG A 72 4.016 1.163 3.620 1.00 0.00 N ATOM 1047 CA ARG A 72 5.125 2.098 3.475 1.00 0.00 C ATOM 1048 C ARG A 72 5.340 2.464 2.009 1.00 0.00 C ATOM 1049 O ARG A 72 5.315 1.598 1.133 1.00 0.00 O ATOM 1050 CB ARG A 72 6.406 1.496 4.054 1.00 0.00 C ATOM 1051 CG ARG A 72 6.261 1.023 5.492 1.00 0.00 C ATOM 1052 CD ARG A 72 7.580 1.114 6.244 1.00 0.00 C ATOM 1053 NE ARG A 72 7.517 0.449 7.542 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.287 0.775 8.574 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.174 1.754 8.459 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.170 0.123 9.723 1.00 0.00 N ATOM 0 H ARG A 72 4.166 0.258 3.173 1.00 0.00 H new ATOM 0 HA ARG A 72 4.876 3.005 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.715 0.655 3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.202 2.239 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.509 1.626 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.905 -0.007 5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.371 0.664 5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.845 2.162 6.386 1.00 0.00 H new ATOM 0 HE ARG A 72 6.844 -0.308 7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.266 2.258 7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.764 2.003 9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.488 -0.630 9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.762 0.374 10.515 1.00 0.00 H new ATOM 1070 N CYS A 73 5.549 3.750 1.751 1.00 0.00 N ATOM 1071 CA CYS A 73 5.766 4.230 0.391 1.00 0.00 C ATOM 1072 C CYS A 73 7.158 4.838 0.245 1.00 0.00 C ATOM 1073 O CYS A 73 7.439 5.906 0.786 1.00 0.00 O ATOM 1074 CB CYS A 73 4.704 5.265 0.017 1.00 0.00 C ATOM 1075 SG CYS A 73 4.973 6.053 -1.588 1.00 0.00 S ATOM 0 H CYS A 73 5.573 4.478 2.465 1.00 0.00 H new ATOM 0 HA CYS A 73 5.687 3.379 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.727 4.782 0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.676 6.035 0.788 1.00 0.00 H new ATOM 0 HG CYS A 73 4.686 5.213 -2.538 1.00 0.00 H new ATOM 1081 N ASN A 74 8.025 4.148 -0.489 1.00 0.00 N ATOM 1082 CA ASN A 74 9.388 4.618 -0.704 1.00 0.00 C ATOM 1083 C ASN A 74 10.150 4.701 0.615 1.00 0.00 C ATOM 1084 O ASN A 74 11.019 5.554 0.790 1.00 0.00 O ATOM 1085 CB ASN A 74 9.376 5.988 -1.386 1.00 0.00 C ATOM 1086 CG ASN A 74 9.012 5.899 -2.855 1.00 0.00 C ATOM 1087 OD1 ASN A 74 9.400 4.957 -3.547 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.262 6.882 -3.339 1.00 0.00 N ATOM 0 H ASN A 74 7.808 3.262 -0.945 1.00 0.00 H new ATOM 0 HA ASN A 74 9.894 3.902 -1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.664 6.638 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.358 6.450 -1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.985 6.876 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.963 7.643 -2.729 1.00 0.00 H new ATOM 1095 N GLY A 75 9.817 3.808 1.542 1.00 0.00 N ATOM 1096 CA GLY A 75 10.478 3.797 2.833 1.00 0.00 C ATOM 1097 C GLY A 75 9.801 4.705 3.840 1.00 0.00 C ATOM 1098 O GLY A 75 10.142 4.696 5.022 1.00 0.00 O ATOM 0 H GLY A 75 9.101 3.092 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.494 2.778 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.516 4.107 2.709 1.00 0.00 H new ATOM 1102 N GLU A 76 8.838 5.493 3.370 1.00 0.00 N ATOM 1103 CA GLU A 76 8.113 6.413 4.238 1.00 0.00 C ATOM 1104 C GLU A 76 6.630 6.059 4.288 1.00 0.00 C ATOM 1105 O GLU A 76 5.967 5.964 3.254 1.00 0.00 O ATOM 1106 CB GLU A 76 8.290 7.853 3.752 1.00 0.00 C ATOM 1107 CG GLU A 76 9.664 8.430 4.045 1.00 0.00 C ATOM 1108 CD GLU A 76 10.702 8.011 3.022 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.565 8.403 1.844 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.651 7.292 3.398 1.00 0.00 O ATOM 0 H GLU A 76 8.543 5.512 2.394 1.00 0.00 H new ATOM 0 HA GLU A 76 8.523 6.324 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.112 7.889 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.534 8.482 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.600 9.518 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.985 8.109 5.036 1.00 0.00 H new ATOM 1117 N THR A 77 6.114 5.865 5.498 1.00 0.00 N ATOM 1118 CA THR A 77 4.710 5.520 5.684 1.00 0.00 C ATOM 1119 C THR A 77 3.798 6.583 5.082 1.00 0.00 C ATOM 1120 O THR A 77 4.057 7.780 5.209 1.00 0.00 O ATOM 1121 CB THR A 77 4.366 5.350 7.176 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.771 6.512 7.907 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.050 4.118 7.751 1.00 0.00 C ATOM 0 H THR A 77 6.648 5.941 6.364 1.00 0.00 H new ATOM 0 HA THR A 77 4.547 4.572 5.171 1.00 0.00 H new ATOM 0 HB THR A 77 3.287 5.223 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.547 6.397 8.854 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.793 4.018 8.805 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.717 3.232 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.130 4.221 7.649 1.00 0.00 H new ATOM 1131 N LEU A 78 2.731 6.139 4.428 1.00 0.00 N ATOM 1132 CA LEU A 78 1.779 7.054 3.807 1.00 0.00 C ATOM 1133 C LEU A 78 1.483 8.236 4.723 1.00 0.00 C ATOM 1134 O LEU A 78 1.440 9.384 4.279 1.00 0.00 O ATOM 1135 CB LEU A 78 0.481 6.318 3.468 1.00 0.00 C ATOM 1136 CG LEU A 78 0.640 5.121 2.531 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.664 4.347 2.425 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.102 5.580 1.156 1.00 0.00 C ATOM 0 H LEU A 78 2.503 5.151 4.314 1.00 0.00 H new ATOM 0 HA LEU A 78 2.224 7.434 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.023 5.975 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.212 7.026 3.013 1.00 0.00 H new ATOM 0 HG LEU A 78 1.399 4.458 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.530 3.499 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.954 3.986 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.444 5.000 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.210 4.715 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.366 6.264 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.061 6.089 1.246 1.00 0.00 H new ATOM 1150 N ARG A 79 1.281 7.948 6.005 1.00 0.00 N ATOM 1151 CA ARG A 79 0.987 8.987 6.985 1.00 0.00 C ATOM 1152 C ARG A 79 2.060 10.072 6.964 1.00 0.00 C ATOM 1153 O ARG A 79 1.752 11.264 6.925 1.00 0.00 O ATOM 1154 CB ARG A 79 0.886 8.382 8.386 1.00 0.00 C ATOM 1155 CG ARG A 79 0.819 9.421 9.494 1.00 0.00 C ATOM 1156 CD ARG A 79 -0.492 10.191 9.457 1.00 0.00 C ATOM 1157 NE ARG A 79 -1.552 9.501 10.188 1.00 0.00 N ATOM 1158 CZ ARG A 79 -1.611 9.440 11.514 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -0.676 10.025 12.250 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -2.607 8.794 12.106 1.00 0.00 N ATOM 0 H ARG A 79 1.316 7.004 6.389 1.00 0.00 H new ATOM 0 HA ARG A 79 0.031 9.440 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.001 7.751 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.747 7.736 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.927 8.930 10.461 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.653 10.116 9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.343 11.182 9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.800 10.334 8.421 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.287 9.041 9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.091 10.523 11.798 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.724 9.977 13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.329 8.343 11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.651 8.748 13.124 1.00 0.00 H new ATOM 1174 N HIS A 80 3.321 9.652 6.990 1.00 0.00 N ATOM 1175 CA HIS A 80 4.439 10.588 6.974 1.00 0.00 C ATOM 1176 C HIS A 80 4.359 11.510 5.761 1.00 0.00 C ATOM 1177 O HIS A 80 4.508 12.726 5.882 1.00 0.00 O ATOM 1178 CB HIS A 80 5.767 9.829 6.965 1.00 0.00 C ATOM 1179 CG HIS A 80 6.961 10.708 7.172 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.601 10.834 8.387 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.633 11.507 6.310 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.614 11.674 8.263 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.655 12.096 7.012 1.00 0.00 N ATOM 0 H HIS A 80 3.594 8.670 7.022 1.00 0.00 H new ATOM 0 HA HIS A 80 4.383 11.197 7.876 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.746 9.068 7.746 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.871 9.307 6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.407 11.654 5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.293 11.966 9.051 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.335 12.753 6.630 1.00 0.00 H new ATOM 1192 N LEU A 81 4.122 10.924 4.593 1.00 0.00 N ATOM 1193 CA LEU A 81 4.022 11.693 3.357 1.00 0.00 C ATOM 1194 C LEU A 81 2.803 12.609 3.384 1.00 0.00 C ATOM 1195 O LEU A 81 2.858 13.745 2.915 1.00 0.00 O ATOM 1196 CB LEU A 81 3.943 10.753 2.152 1.00 0.00 C ATOM 1197 CG LEU A 81 5.135 9.809 1.988 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.858 8.783 0.901 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.397 10.597 1.671 1.00 0.00 C ATOM 0 H LEU A 81 3.995 9.919 4.475 1.00 0.00 H new ATOM 0 HA LEU A 81 4.916 12.311 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.035 10.156 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.848 11.354 1.248 1.00 0.00 H new ATOM 0 HG LEU A 81 5.287 9.279 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.717 8.120 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.978 8.198 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.680 9.294 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.236 9.910 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.255 11.153 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.605 11.293 2.484 1.00 0.00 H new ATOM 1211 N GLU A 82 1.703 12.105 3.934 1.00 0.00 N ATOM 1212 CA GLU A 82 0.470 12.878 4.021 1.00 0.00 C ATOM 1213 C GLU A 82 0.673 14.135 4.861 1.00 0.00 C ATOM 1214 O GLU A 82 0.238 15.223 4.484 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.651 12.026 4.620 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.971 12.766 4.757 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.839 12.210 5.869 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.303 11.956 6.968 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -4.053 12.029 5.641 1.00 0.00 O ATOM 0 H GLU A 82 1.641 11.165 4.326 1.00 0.00 H new ATOM 0 HA GLU A 82 0.188 13.179 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.801 11.146 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.340 11.670 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.774 13.821 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.515 12.709 3.814 1.00 0.00 H new ATOM 1226 N GLN A 83 1.336 13.976 6.002 1.00 0.00 N ATOM 1227 CA GLN A 83 1.596 15.097 6.897 1.00 0.00 C ATOM 1228 C GLN A 83 2.392 16.188 6.186 1.00 0.00 C ATOM 1229 O GLN A 83 2.176 17.378 6.415 1.00 0.00 O ATOM 1230 CB GLN A 83 2.355 14.622 8.137 1.00 0.00 C ATOM 1231 CG GLN A 83 1.547 13.690 9.025 1.00 0.00 C ATOM 1232 CD GLN A 83 2.096 13.606 10.435 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.281 13.848 10.668 1.00 0.00 O ATOM 1234 NE2 GLN A 83 1.236 13.260 11.386 1.00 0.00 N ATOM 0 H GLN A 83 1.703 13.082 6.328 1.00 0.00 H new ATOM 0 HA GLN A 83 0.637 15.514 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.265 14.112 7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.662 15.491 8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.514 14.035 9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.535 12.693 8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.263 13.068 11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.549 13.186 12.354 1.00 0.00 H new ATOM 1243 N LYS A 84 3.313 15.774 5.323 1.00 0.00 N ATOM 1244 CA LYS A 84 4.141 16.714 4.577 1.00 0.00 C ATOM 1245 C LYS A 84 3.378 17.284 3.385 1.00 0.00 C ATOM 1246 O LYS A 84 3.955 17.951 2.528 1.00 0.00 O ATOM 1247 CB LYS A 84 5.421 16.028 4.096 1.00 0.00 C ATOM 1248 CG LYS A 84 6.381 15.675 5.219 1.00 0.00 C ATOM 1249 CD LYS A 84 7.269 14.500 4.845 1.00 0.00 C ATOM 1250 CE LYS A 84 8.324 14.901 3.826 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.338 13.829 3.626 1.00 0.00 N ATOM 0 H LYS A 84 3.505 14.792 5.123 1.00 0.00 H new ATOM 0 HA LYS A 84 4.405 17.535 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.155 15.119 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.929 16.682 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.001 16.540 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.816 15.433 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.755 14.111 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.657 13.695 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.842 15.127 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.820 15.813 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.039 14.141 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.816 13.630 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.868 12.966 3.286 1.00 0.00 H new ATOM 1265 N GLY A 85 2.076 17.018 3.339 1.00 0.00 N ATOM 1266 CA GLY A 85 1.256 17.513 2.249 1.00 0.00 C ATOM 1267 C GLY A 85 1.608 16.872 0.921 1.00 0.00 C ATOM 1268 O GLY A 85 1.504 17.505 -0.129 1.00 0.00 O ATOM 0 H GLY A 85 1.575 16.469 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.206 17.324 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.375 18.594 2.170 1.00 0.00 H new ATOM 1272 N LEU A 86 2.028 15.612 0.967 1.00 0.00 N ATOM 1273 CA LEU A 86 2.399 14.885 -0.242 1.00 0.00 C ATOM 1274 C LEU A 86 1.284 13.938 -0.672 1.00 0.00 C ATOM 1275 O LEU A 86 1.033 13.757 -1.863 1.00 0.00 O ATOM 1276 CB LEU A 86 3.692 14.099 -0.013 1.00 0.00 C ATOM 1277 CG LEU A 86 4.852 14.914 0.561 1.00 0.00 C ATOM 1278 CD1 LEU A 86 5.972 13.996 1.024 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.367 15.906 -0.471 1.00 0.00 C ATOM 0 H LEU A 86 2.120 15.073 1.828 1.00 0.00 H new ATOM 0 HA LEU A 86 2.560 15.612 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.481 13.270 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.008 13.664 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 86 4.487 15.472 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.788 14.594 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.596 13.324 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.335 13.411 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.192 16.478 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.715 15.367 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.563 16.585 -0.755 1.00 0.00 H new ATOM 1291 N LEU A 87 0.617 13.337 0.307 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.473 12.407 0.032 1.00 0.00 C ATOM 1293 C LEU A 87 -1.823 13.045 0.339 1.00 0.00 C ATOM 1294 O LEU A 87 -2.019 13.628 1.406 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.300 11.128 0.855 1.00 0.00 C ATOM 1296 CG LEU A 87 -1.280 10.004 0.517 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.821 9.249 -0.720 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.428 9.056 1.697 1.00 0.00 C ATOM 0 H LEU A 87 0.812 13.477 1.298 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.444 12.155 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.716 10.758 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.406 11.376 1.911 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.253 10.447 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.531 8.453 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.765 9.935 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.163 8.817 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.129 8.262 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.458 8.620 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.803 9.606 2.560 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.753 12.932 -0.603 1.00 0.00 N ATOM 1311 CA PHE A 88 -4.086 13.499 -0.435 1.00 0.00 C ATOM 1312 C PHE A 88 -4.944 12.613 0.463 1.00 0.00 C ATOM 1313 O PHE A 88 -5.772 13.104 1.230 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.764 13.675 -1.795 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.483 12.444 -2.270 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.814 11.236 -2.383 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.826 12.497 -2.605 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.472 10.102 -2.820 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.490 11.366 -3.042 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.812 10.167 -3.151 1.00 0.00 C ATOM 0 H PHE A 88 -2.608 12.453 -1.492 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.982 14.475 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.474 14.500 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.012 13.955 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.766 11.180 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.360 13.432 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.939 9.166 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.538 11.420 -3.298 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.328 9.283 -3.494 1.00 0.00 H new ATOM 1330 N SER A 89 -4.741 11.303 0.361 1.00 0.00 N ATOM 1331 CA SER A 89 -5.498 10.347 1.160 1.00 0.00 C ATOM 1332 C SER A 89 -6.998 10.594 1.025 1.00 0.00 C ATOM 1333 O SER A 89 -7.739 10.538 2.006 1.00 0.00 O ATOM 1334 CB SER A 89 -5.086 10.438 2.630 1.00 0.00 C ATOM 1335 OG SER A 89 -5.714 9.428 3.400 1.00 0.00 O ATOM 0 H SER A 89 -4.058 10.880 -0.268 1.00 0.00 H new ATOM 0 HA SER A 89 -5.276 9.346 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.003 10.343 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.351 11.419 3.025 1.00 0.00 H new ATOM 0 HG SER A 89 -6.686 9.486 3.285 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.439 10.867 -0.200 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.847 11.118 -0.442 1.00 0.00 C ATOM 1343 C GLY A 90 -9.202 12.587 -0.326 1.00 0.00 C ATOM 1344 O GLY A 90 -8.470 13.380 0.266 1.00 0.00 O ATOM 0 H GLY A 90 -6.846 10.919 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.111 10.761 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.442 10.546 0.270 1.00 0.00 H new ATOM 1348 N PRO A 91 -10.351 12.970 -0.903 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.827 14.356 -0.875 1.00 0.00 C ATOM 1350 C PRO A 91 -11.268 14.790 0.518 1.00 0.00 C ATOM 1351 O PRO A 91 -11.306 15.981 0.825 1.00 0.00 O ATOM 1352 CB PRO A 91 -12.021 14.339 -1.833 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.499 12.928 -1.819 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.274 12.078 -1.625 1.00 0.00 C ATOM 0 HA PRO A 91 -10.045 15.061 -1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.802 15.025 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.728 14.648 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -13.217 12.767 -1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.004 12.678 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.496 11.179 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.856 11.753 -2.577 1.00 0.00 H new ATOM 1362 N SER A 92 -11.602 13.815 1.359 1.00 0.00 N ATOM 1363 CA SER A 92 -12.043 14.097 2.720 1.00 0.00 C ATOM 1364 C SER A 92 -13.215 15.075 2.719 1.00 0.00 C ATOM 1365 O SER A 92 -13.270 15.995 3.534 1.00 0.00 O ATOM 1366 CB SER A 92 -10.889 14.669 3.545 1.00 0.00 C ATOM 1367 OG SER A 92 -10.087 13.633 4.086 1.00 0.00 O ATOM 0 H SER A 92 -11.575 12.823 1.121 1.00 0.00 H new ATOM 0 HA SER A 92 -12.373 13.161 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.277 15.318 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.285 15.286 4.352 1.00 0.00 H new ATOM 0 HG SER A 92 -9.355 14.024 4.608 1.00 0.00 H new ATOM 1373 N SER A 93 -14.150 14.867 1.797 1.00 0.00 N ATOM 1374 CA SER A 93 -15.320 15.731 1.687 1.00 0.00 C ATOM 1375 C SER A 93 -16.538 15.082 2.338 1.00 0.00 C ATOM 1376 O SER A 93 -16.491 13.926 2.755 1.00 0.00 O ATOM 1377 CB SER A 93 -15.616 16.038 0.217 1.00 0.00 C ATOM 1378 OG SER A 93 -15.839 14.847 -0.518 1.00 0.00 O ATOM 0 H SER A 93 -14.120 14.108 1.116 1.00 0.00 H new ATOM 0 HA SER A 93 -15.104 16.663 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.492 16.682 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.781 16.587 -0.218 1.00 0.00 H new ATOM 0 HG SER A 93 -16.028 15.070 -1.453 1.00 0.00 H new ATOM 1384 N GLY A 94 -17.629 15.838 2.422 1.00 0.00 N ATOM 1385 CA GLY A 94 -18.844 15.321 3.023 1.00 0.00 C ATOM 1386 C GLY A 94 -19.583 16.371 3.830 1.00 0.00 C ATOM 1387 O GLY A 94 -19.956 17.419 3.303 1.00 0.00 O ATOM 0 H GLY A 94 -17.693 16.799 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -19.500 14.941 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.596 14.478 3.669 1.00 0.00 H new TER 1391 GLY A 94