USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.02 K(o=1.3,f=0.65) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.25 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.219 X(o=-0.066,f=0.035) USER MOD Set 2.2: A 39 THR OG1 : rot -120:sc= 0.153 USER MOD Set 3.1: A 16 SER OG : rot 150:sc= 0.0717 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.0408 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 171:sc= 0.00264 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 9:sc= 0.647 USER MOD Single : A 27 SER OG : rot -22:sc= 0.102 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -157:sc= 0.529 USER MOD Single : A 34 TYR OH : rot 179:sc= 0.0138 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 37 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.4) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.05 (180deg=0.534) USER MOD Single : A 76 THR OG1 : rot 125:sc= 1.34 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 84 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 89 ASN : amide:sc= 1.93 K(o=1.9,f=-2.5!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.54 K(o=0.54,f=-0.1) USER MOD Single : A 95 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.494 -1.328 -5.181 1.00 0.00 N ATOM 2 CA ALA A 1 -3.037 -1.412 -5.490 1.00 0.00 C ATOM 3 C ALA A 1 -2.480 -2.825 -5.233 1.00 0.00 C ATOM 4 O ALA A 1 -3.073 -3.608 -4.487 1.00 0.00 O ATOM 5 CB ALA A 1 -2.236 -0.347 -4.707 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.037 -1.323 -6.068 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.775 -2.149 -4.607 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.687 -0.453 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.920 -1.204 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.178 -0.434 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.591 0.647 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.373 -0.502 -3.637 1.00 0.00 H new ATOM 13 N VAL A 2 -1.335 -3.163 -5.845 1.00 0.00 N ATOM 14 CA VAL A 2 -0.626 -4.451 -5.680 1.00 0.00 C ATOM 15 C VAL A 2 0.897 -4.263 -5.780 1.00 0.00 C ATOM 16 O VAL A 2 1.378 -3.445 -6.566 1.00 0.00 O ATOM 17 CB VAL A 2 -1.154 -5.496 -6.694 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.929 -5.112 -8.163 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.559 -6.891 -6.464 1.00 0.00 C ATOM 0 H VAL A 2 -0.858 -2.532 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.831 -4.834 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.228 -5.515 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.327 -5.895 -8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.439 -4.172 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.139 -4.995 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.962 -7.585 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.525 -6.845 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.817 -7.236 -5.463 1.00 0.00 H new ATOM 29 N GLU A 3 1.663 -5.023 -4.991 1.00 0.00 N ATOM 30 CA GLU A 3 3.132 -5.051 -5.041 1.00 0.00 C ATOM 31 C GLU A 3 3.652 -6.474 -4.757 1.00 0.00 C ATOM 32 O GLU A 3 3.606 -6.953 -3.620 1.00 0.00 O ATOM 33 CB GLU A 3 3.698 -4.018 -4.048 1.00 0.00 C ATOM 34 CG GLU A 3 5.220 -3.858 -4.140 1.00 0.00 C ATOM 35 CD GLU A 3 5.646 -3.297 -5.511 1.00 0.00 C ATOM 36 OE1 GLU A 3 5.687 -2.053 -5.679 1.00 0.00 O ATOM 37 OE2 GLU A 3 5.929 -4.100 -6.432 1.00 0.00 O ATOM 0 H GLU A 3 1.274 -5.649 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 3 3.473 -4.780 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.227 -3.052 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.432 -4.316 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.566 -3.192 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.699 -4.823 -3.976 1.00 0.00 H new ATOM 44 N VAL A 4 4.111 -7.165 -5.809 1.00 0.00 N ATOM 45 CA VAL A 4 4.605 -8.558 -5.784 1.00 0.00 C ATOM 46 C VAL A 4 5.790 -8.683 -6.754 1.00 0.00 C ATOM 47 O VAL A 4 5.838 -7.985 -7.769 1.00 0.00 O ATOM 48 CB VAL A 4 3.476 -9.555 -6.159 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.925 -11.024 -6.095 1.00 0.00 C ATOM 50 CG2 VAL A 4 2.252 -9.445 -5.237 1.00 0.00 C ATOM 0 H VAL A 4 4.152 -6.756 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 4 4.934 -8.806 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 4 3.218 -9.276 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.092 -11.671 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.750 -11.183 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.252 -11.261 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.496 -10.166 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.551 -9.653 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.840 -8.438 -5.298 1.00 0.00 H new ATOM 60 N GLU A 5 6.729 -9.598 -6.487 1.00 0.00 N ATOM 61 CA GLU A 5 7.919 -9.866 -7.321 1.00 0.00 C ATOM 62 C GLU A 5 7.584 -10.652 -8.616 1.00 0.00 C ATOM 63 O GLU A 5 8.148 -11.712 -8.901 1.00 0.00 O ATOM 64 CB GLU A 5 9.012 -10.554 -6.477 1.00 0.00 C ATOM 65 CG GLU A 5 9.450 -9.769 -5.231 1.00 0.00 C ATOM 66 CD GLU A 5 9.962 -8.353 -5.570 1.00 0.00 C ATOM 67 OE1 GLU A 5 9.373 -7.358 -5.079 1.00 0.00 O ATOM 68 OE2 GLU A 5 10.964 -8.226 -6.316 1.00 0.00 O ATOM 0 H GLU A 5 6.686 -10.194 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 5 8.308 -8.908 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.648 -11.533 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.885 -10.725 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.610 -9.692 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.236 -10.322 -4.716 1.00 0.00 H new ATOM 75 N VAL A 6 6.623 -10.139 -9.393 1.00 0.00 N ATOM 76 CA VAL A 6 6.141 -10.713 -10.661 1.00 0.00 C ATOM 77 C VAL A 6 7.172 -10.577 -11.802 1.00 0.00 C ATOM 78 O VAL A 6 7.510 -11.606 -12.396 1.00 0.00 O ATOM 79 CB VAL A 6 4.752 -10.139 -11.026 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.302 -10.490 -12.450 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.690 -10.681 -10.062 1.00 0.00 C ATOM 0 H VAL A 6 6.138 -9.276 -9.148 1.00 0.00 H new ATOM 0 HA VAL A 6 6.018 -11.786 -10.517 1.00 0.00 H new ATOM 0 HB VAL A 6 4.852 -9.056 -10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.320 -10.056 -12.639 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.019 -10.091 -13.167 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.246 -11.573 -12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.715 -10.271 -10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.657 -11.768 -10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.941 -10.389 -9.042 1.00 0.00 H new ATOM 91 N PRO A 7 7.703 -9.375 -12.131 1.00 0.00 N ATOM 92 CA PRO A 7 8.743 -9.229 -13.152 1.00 0.00 C ATOM 93 C PRO A 7 10.144 -9.601 -12.628 1.00 0.00 C ATOM 94 O PRO A 7 10.373 -9.756 -11.424 1.00 0.00 O ATOM 95 CB PRO A 7 8.679 -7.762 -13.582 1.00 0.00 C ATOM 96 CG PRO A 7 8.318 -7.068 -12.271 1.00 0.00 C ATOM 97 CD PRO A 7 7.337 -8.053 -11.630 1.00 0.00 C ATOM 0 HA PRO A 7 8.570 -9.910 -13.985 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.630 -7.411 -13.982 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.928 -7.594 -14.354 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.195 -6.904 -11.645 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.861 -6.093 -12.441 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.403 -8.017 -10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.309 -7.807 -11.895 1.00 0.00 H new ATOM 105 N GLY A 8 11.095 -9.699 -13.559 1.00 0.00 N ATOM 106 CA GLY A 8 12.522 -9.944 -13.292 1.00 0.00 C ATOM 107 C GLY A 8 13.193 -10.832 -14.348 1.00 0.00 C ATOM 108 O GLY A 8 12.575 -11.767 -14.858 1.00 0.00 O ATOM 0 H GLY A 8 10.891 -9.608 -14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.045 -8.989 -13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.626 -10.413 -12.314 1.00 0.00 H new ATOM 112 N LEU A 9 14.458 -10.535 -14.684 1.00 0.00 N ATOM 113 CA LEU A 9 15.270 -11.322 -15.632 1.00 0.00 C ATOM 114 C LEU A 9 16.764 -11.423 -15.246 1.00 0.00 C ATOM 115 O LEU A 9 17.638 -11.458 -16.112 1.00 0.00 O ATOM 116 CB LEU A 9 14.971 -10.900 -17.095 1.00 0.00 C ATOM 117 CG LEU A 9 15.122 -9.420 -17.499 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.564 -8.941 -17.628 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.456 -9.184 -18.857 1.00 0.00 C ATOM 0 H LEU A 9 14.955 -9.731 -14.301 1.00 0.00 H new ATOM 0 HA LEU A 9 14.956 -12.363 -15.561 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.622 -11.485 -17.744 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.947 -11.198 -17.319 1.00 0.00 H new ATOM 0 HG LEU A 9 14.652 -8.860 -16.691 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.574 -7.890 -17.915 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.074 -9.061 -16.672 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.076 -9.530 -18.389 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.565 -8.137 -19.139 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.931 -9.813 -19.609 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.397 -9.434 -18.791 1.00 0.00 H new ATOM 131 N LEU A 10 17.060 -11.499 -13.936 1.00 0.00 N ATOM 132 CA LEU A 10 18.425 -11.725 -13.433 1.00 0.00 C ATOM 133 C LEU A 10 18.951 -13.075 -13.932 1.00 0.00 C ATOM 134 O LEU A 10 18.527 -14.128 -13.448 1.00 0.00 O ATOM 135 CB LEU A 10 18.472 -11.683 -11.889 1.00 0.00 C ATOM 136 CG LEU A 10 18.498 -10.262 -11.301 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.868 -10.233 -9.909 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.927 -9.739 -11.156 1.00 0.00 C ATOM 0 H LEU A 10 16.361 -11.406 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 10 19.059 -10.923 -13.813 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.604 -12.212 -11.495 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.356 -12.222 -11.548 1.00 0.00 H new ATOM 0 HG LEU A 10 17.936 -9.636 -11.994 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.899 -9.217 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.832 -10.566 -9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.423 -10.896 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.905 -8.733 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.489 -10.396 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.407 -9.715 -12.134 1.00 0.00 H new ATOM 150 N THR A 11 19.925 -13.036 -14.839 1.00 0.00 N ATOM 151 CA THR A 11 20.614 -14.227 -15.345 1.00 0.00 C ATOM 152 C THR A 11 22.060 -14.260 -14.859 1.00 0.00 C ATOM 153 O THR A 11 22.754 -13.243 -14.819 1.00 0.00 O ATOM 154 CB THR A 11 20.519 -14.328 -16.875 1.00 0.00 C ATOM 155 OG1 THR A 11 19.162 -14.502 -17.246 1.00 0.00 O ATOM 156 CG2 THR A 11 21.289 -15.521 -17.443 1.00 0.00 C ATOM 0 H THR A 11 20.264 -12.166 -15.250 1.00 0.00 H new ATOM 0 HA THR A 11 20.110 -15.106 -14.942 1.00 0.00 H new ATOM 0 HB THR A 11 20.949 -13.409 -17.273 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.095 -14.565 -18.222 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.184 -15.539 -18.528 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.343 -15.431 -17.182 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.889 -16.445 -17.025 1.00 0.00 H new ATOM 164 N ASP A 12 22.514 -15.454 -14.494 1.00 0.00 N ATOM 165 CA ASP A 12 23.897 -15.799 -14.178 1.00 0.00 C ATOM 166 C ASP A 12 24.785 -15.827 -15.441 1.00 0.00 C ATOM 167 O ASP A 12 25.398 -16.843 -15.780 1.00 0.00 O ATOM 168 CB ASP A 12 23.923 -17.115 -13.376 1.00 0.00 C ATOM 169 CG ASP A 12 23.361 -18.337 -14.136 1.00 0.00 C ATOM 170 OD1 ASP A 12 24.044 -19.390 -14.184 1.00 0.00 O ATOM 171 OD2 ASP A 12 22.207 -18.279 -14.630 1.00 0.00 O ATOM 0 H ASP A 12 21.889 -16.256 -14.405 1.00 0.00 H new ATOM 0 HA ASP A 12 24.332 -15.022 -13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.951 -17.327 -13.082 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.351 -16.978 -12.458 1.00 0.00 H new ATOM 176 N HIS A 13 24.884 -14.690 -16.145 1.00 0.00 N ATOM 177 CA HIS A 13 25.817 -14.477 -17.263 1.00 0.00 C ATOM 178 C HIS A 13 27.238 -14.200 -16.732 1.00 0.00 C ATOM 179 O HIS A 13 27.933 -13.277 -17.164 1.00 0.00 O ATOM 180 CB HIS A 13 25.278 -13.390 -18.220 1.00 0.00 C ATOM 181 CG HIS A 13 24.123 -13.806 -19.100 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.975 -13.042 -19.345 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.076 -14.928 -19.878 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.266 -13.722 -20.262 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.900 -14.861 -20.595 1.00 0.00 N ATOM 0 H HIS A 13 24.305 -13.874 -15.949 1.00 0.00 H new ATOM 0 HA HIS A 13 25.892 -15.386 -17.860 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.967 -12.531 -17.626 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.096 -13.057 -18.859 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.815 -15.714 -19.923 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.321 -13.400 -20.673 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.568 -15.556 -21.263 1.00 0.00 H new ATOM 193 N THR A 14 27.663 -14.995 -15.745 1.00 0.00 N ATOM 194 CA THR A 14 28.901 -14.821 -14.987 1.00 0.00 C ATOM 195 C THR A 14 29.681 -16.140 -14.848 1.00 0.00 C ATOM 196 O THR A 14 29.095 -17.184 -14.557 1.00 0.00 O ATOM 197 CB THR A 14 28.641 -14.171 -13.614 1.00 0.00 C ATOM 198 OG1 THR A 14 27.761 -14.946 -12.834 1.00 0.00 O ATOM 199 CG2 THR A 14 28.002 -12.784 -13.687 1.00 0.00 C ATOM 0 H THR A 14 27.130 -15.810 -15.442 1.00 0.00 H new ATOM 0 HA THR A 14 29.529 -14.137 -15.558 1.00 0.00 H new ATOM 0 HB THR A 14 29.636 -14.097 -13.176 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.730 -14.587 -11.922 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.853 -12.398 -12.678 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.657 -12.110 -14.240 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.040 -12.853 -14.195 1.00 0.00 H new ATOM 207 N VAL A 15 31.004 -16.112 -15.091 1.00 0.00 N ATOM 208 CA VAL A 15 31.868 -17.320 -15.212 1.00 0.00 C ATOM 209 C VAL A 15 33.203 -17.218 -14.442 1.00 0.00 C ATOM 210 O VAL A 15 34.233 -17.758 -14.853 1.00 0.00 O ATOM 211 CB VAL A 15 32.069 -17.743 -16.689 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.728 -18.144 -17.311 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.707 -16.677 -17.588 1.00 0.00 C ATOM 0 H VAL A 15 31.519 -15.240 -15.212 1.00 0.00 H new ATOM 0 HA VAL A 15 31.319 -18.121 -14.717 1.00 0.00 H new ATOM 0 HB VAL A 15 32.767 -18.579 -16.643 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.882 -18.439 -18.349 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.305 -18.980 -16.755 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.042 -17.298 -17.272 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.806 -17.067 -18.601 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.077 -15.788 -17.602 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.692 -16.417 -17.201 1.00 0.00 H new ATOM 223 N SER A 16 33.165 -16.549 -13.286 1.00 0.00 N ATOM 224 CA SER A 16 34.326 -16.264 -12.416 1.00 0.00 C ATOM 225 C SER A 16 34.096 -16.762 -10.986 1.00 0.00 C ATOM 226 O SER A 16 32.966 -16.732 -10.509 1.00 0.00 O ATOM 227 CB SER A 16 34.601 -14.755 -12.443 1.00 0.00 C ATOM 228 OG SER A 16 35.249 -14.327 -11.255 1.00 0.00 O ATOM 0 H SER A 16 32.294 -16.174 -12.910 1.00 0.00 H new ATOM 0 HA SER A 16 35.197 -16.800 -12.793 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.221 -14.512 -13.306 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.662 -14.214 -12.563 1.00 0.00 H new ATOM 0 HG SER A 16 35.822 -13.557 -11.454 1.00 0.00 H new ATOM 234 N SER A 17 35.150 -17.139 -10.256 1.00 0.00 N ATOM 235 CA SER A 17 35.049 -17.589 -8.853 1.00 0.00 C ATOM 236 C SER A 17 34.411 -16.540 -7.923 1.00 0.00 C ATOM 237 O SER A 17 33.672 -16.898 -7.006 1.00 0.00 O ATOM 238 CB SER A 17 36.438 -17.959 -8.316 1.00 0.00 C ATOM 239 OG SER A 17 37.052 -18.933 -9.151 1.00 0.00 O ATOM 0 H SER A 17 36.104 -17.143 -10.618 1.00 0.00 H new ATOM 0 HA SER A 17 34.394 -18.460 -8.857 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.064 -17.068 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.351 -18.345 -7.300 1.00 0.00 H new ATOM 0 HG SER A 17 37.938 -19.157 -8.796 1.00 0.00 H new ATOM 245 N ILE A 18 34.646 -15.245 -8.190 1.00 0.00 N ATOM 246 CA ILE A 18 33.958 -14.111 -7.536 1.00 0.00 C ATOM 247 C ILE A 18 32.716 -13.661 -8.316 1.00 0.00 C ATOM 248 O ILE A 18 31.675 -13.419 -7.715 1.00 0.00 O ATOM 249 CB ILE A 18 34.913 -12.917 -7.266 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.017 -12.810 -8.339 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.503 -13.024 -5.851 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.778 -11.496 -8.408 1.00 0.00 C ATOM 0 H ILE A 18 35.334 -14.947 -8.881 1.00 0.00 H new ATOM 0 HA ILE A 18 33.620 -14.480 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 18 34.333 -11.996 -7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.736 -13.611 -8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.563 -12.992 -9.313 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.172 -12.182 -5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.696 -13.010 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.060 -13.956 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.524 -11.549 -9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.083 -10.683 -8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.274 -11.312 -7.455 1.00 0.00 H new ATOM 264 N GLY A 19 32.762 -13.575 -9.651 1.00 0.00 N ATOM 265 CA GLY A 19 31.619 -13.074 -10.436 1.00 0.00 C ATOM 266 C GLY A 19 30.387 -13.993 -10.413 1.00 0.00 C ATOM 267 O GLY A 19 29.255 -13.513 -10.458 1.00 0.00 O ATOM 0 H GLY A 19 33.571 -13.843 -10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.334 -12.093 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.936 -12.935 -11.470 1.00 0.00 H new ATOM 271 N HIS A 20 30.585 -15.305 -10.262 1.00 0.00 N ATOM 272 CA HIS A 20 29.514 -16.288 -10.029 1.00 0.00 C ATOM 273 C HIS A 20 28.852 -16.085 -8.658 1.00 0.00 C ATOM 274 O HIS A 20 27.631 -16.186 -8.535 1.00 0.00 O ATOM 275 CB HIS A 20 30.091 -17.707 -10.138 1.00 0.00 C ATOM 276 CG HIS A 20 29.071 -18.802 -9.934 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.222 -19.318 -10.917 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.858 -19.477 -8.767 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.516 -20.293 -10.319 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.878 -20.410 -9.028 1.00 0.00 N ATOM 0 H HIS A 20 31.513 -15.727 -10.298 1.00 0.00 H new ATOM 0 HA HIS A 20 28.745 -16.146 -10.788 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.547 -17.828 -11.120 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.886 -17.823 -9.401 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.359 -19.312 -7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.765 -20.897 -10.806 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.493 -21.075 -8.358 1.00 0.00 H new ATOM 288 N ASP A 21 29.635 -15.729 -7.634 1.00 0.00 N ATOM 289 CA ASP A 21 29.112 -15.431 -6.300 1.00 0.00 C ATOM 290 C ASP A 21 28.405 -14.070 -6.270 1.00 0.00 C ATOM 291 O ASP A 21 27.382 -13.947 -5.598 1.00 0.00 O ATOM 292 CB ASP A 21 30.235 -15.502 -5.252 1.00 0.00 C ATOM 293 CG ASP A 21 30.661 -16.933 -4.851 1.00 0.00 C ATOM 294 OD1 ASP A 21 30.077 -17.934 -5.331 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.570 -17.056 -3.993 1.00 0.00 O ATOM 0 H ASP A 21 30.648 -15.640 -7.708 1.00 0.00 H new ATOM 0 HA ASP A 21 28.368 -16.188 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.107 -14.974 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.911 -14.971 -4.357 1.00 0.00 H new ATOM 300 N PHE A 22 28.878 -13.061 -7.023 1.00 0.00 N ATOM 301 CA PHE A 22 28.205 -11.758 -7.127 1.00 0.00 C ATOM 302 C PHE A 22 26.761 -11.912 -7.592 1.00 0.00 C ATOM 303 O PHE A 22 25.885 -11.283 -7.014 1.00 0.00 O ATOM 304 CB PHE A 22 28.960 -10.822 -8.081 1.00 0.00 C ATOM 305 CG PHE A 22 28.375 -9.417 -8.155 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.289 -9.162 -9.011 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.882 -8.369 -7.361 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.717 -7.881 -9.087 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.334 -7.076 -7.459 1.00 0.00 C ATOM 310 CZ PHE A 22 27.253 -6.834 -8.323 1.00 0.00 C ATOM 0 H PHE A 22 29.734 -13.127 -7.574 1.00 0.00 H new ATOM 0 HA PHE A 22 28.202 -11.318 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.000 -10.756 -7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.959 -11.259 -9.080 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.889 -9.961 -9.618 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.694 -8.558 -6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.868 -7.703 -9.731 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.745 -6.270 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.834 -5.841 -8.399 1.00 0.00 H new ATOM 320 N TYR A 23 26.497 -12.773 -8.580 1.00 0.00 N ATOM 321 CA TYR A 23 25.130 -13.061 -9.037 1.00 0.00 C ATOM 322 C TYR A 23 24.207 -13.445 -7.868 1.00 0.00 C ATOM 323 O TYR A 23 23.173 -12.805 -7.656 1.00 0.00 O ATOM 324 CB TYR A 23 25.145 -14.174 -10.097 1.00 0.00 C ATOM 325 CG TYR A 23 23.752 -14.616 -10.497 1.00 0.00 C ATOM 326 CD1 TYR A 23 22.971 -13.809 -11.340 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.212 -15.798 -9.956 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.636 -14.163 -11.616 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.884 -16.166 -10.243 1.00 0.00 C ATOM 330 CZ TYR A 23 21.089 -15.348 -11.074 1.00 0.00 C ATOM 331 OH TYR A 23 19.809 -15.723 -11.351 1.00 0.00 O ATOM 0 H TYR A 23 27.219 -13.288 -9.084 1.00 0.00 H new ATOM 0 HA TYR A 23 24.732 -12.150 -9.484 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.678 -13.822 -10.980 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.697 -15.031 -9.711 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.394 -12.917 -11.777 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.818 -16.424 -9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.029 -13.527 -12.243 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.473 -17.074 -9.827 1.00 0.00 H new ATOM 0 HH TYR A 23 19.445 -15.149 -12.057 1.00 0.00 H new ATOM 341 N ARG A 24 24.620 -14.445 -7.077 1.00 0.00 N ATOM 342 CA ARG A 24 23.831 -14.991 -5.961 1.00 0.00 C ATOM 343 C ARG A 24 23.710 -13.997 -4.806 1.00 0.00 C ATOM 344 O ARG A 24 22.620 -13.767 -4.289 1.00 0.00 O ATOM 345 CB ARG A 24 24.436 -16.321 -5.478 1.00 0.00 C ATOM 346 CG ARG A 24 24.524 -17.361 -6.607 1.00 0.00 C ATOM 347 CD ARG A 24 24.751 -18.773 -6.055 1.00 0.00 C ATOM 348 NE ARG A 24 24.666 -19.787 -7.128 1.00 0.00 N ATOM 349 CZ ARG A 24 24.708 -21.100 -6.974 1.00 0.00 C ATOM 350 NH1 ARG A 24 24.907 -21.656 -5.814 1.00 0.00 N ATOM 351 NH2 ARG A 24 24.558 -21.889 -7.999 1.00 0.00 N ATOM 0 H ARG A 24 25.523 -14.904 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 24 22.822 -15.177 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.432 -16.140 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.830 -16.720 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.605 -17.342 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.338 -17.098 -7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.729 -18.827 -5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 24 24.009 -18.990 -5.287 1.00 0.00 H new ATOM 0 HE ARG A 24 24.565 -19.439 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.037 -21.075 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.933 -22.672 -5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 24 24.407 -21.495 -8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.592 -22.901 -7.873 1.00 0.00 H new ATOM 365 N ALA A 25 24.822 -13.362 -4.436 1.00 0.00 N ATOM 366 CA ALA A 25 24.859 -12.366 -3.370 1.00 0.00 C ATOM 367 C ALA A 25 24.035 -11.117 -3.717 1.00 0.00 C ATOM 368 O ALA A 25 23.289 -10.630 -2.875 1.00 0.00 O ATOM 369 CB ALA A 25 26.322 -12.012 -3.090 1.00 0.00 C ATOM 0 H ALA A 25 25.729 -13.527 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 25 24.403 -12.785 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.371 -11.268 -2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.861 -12.908 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.778 -11.608 -3.994 1.00 0.00 H new ATOM 375 N PHE A 26 24.113 -10.620 -4.954 1.00 0.00 N ATOM 376 CA PHE A 26 23.298 -9.498 -5.412 1.00 0.00 C ATOM 377 C PHE A 26 21.810 -9.864 -5.356 1.00 0.00 C ATOM 378 O PHE A 26 21.035 -9.157 -4.718 1.00 0.00 O ATOM 379 CB PHE A 26 23.753 -9.070 -6.820 1.00 0.00 C ATOM 380 CG PHE A 26 22.969 -7.927 -7.449 1.00 0.00 C ATOM 381 CD1 PHE A 26 23.543 -6.644 -7.563 1.00 0.00 C ATOM 382 CD2 PHE A 26 21.672 -8.146 -7.954 1.00 0.00 C ATOM 383 CE1 PHE A 26 22.823 -5.595 -8.168 1.00 0.00 C ATOM 384 CE2 PHE A 26 20.946 -7.096 -8.537 1.00 0.00 C ATOM 385 CZ PHE A 26 21.521 -5.820 -8.648 1.00 0.00 C ATOM 0 H PHE A 26 24.745 -10.987 -5.666 1.00 0.00 H new ATOM 0 HA PHE A 26 23.435 -8.643 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.803 -8.782 -6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.691 -9.935 -7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 26 24.539 -6.465 -7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.233 -9.131 -7.892 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.272 -4.617 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.944 -7.270 -8.901 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.964 -5.013 -9.101 1.00 0.00 H new ATOM 395 N SER A 27 21.408 -10.989 -5.959 1.00 0.00 N ATOM 396 CA SER A 27 19.994 -11.389 -6.036 1.00 0.00 C ATOM 397 C SER A 27 19.381 -11.708 -4.661 1.00 0.00 C ATOM 398 O SER A 27 18.193 -11.461 -4.450 1.00 0.00 O ATOM 399 CB SER A 27 19.794 -12.560 -7.004 1.00 0.00 C ATOM 400 OG SER A 27 20.342 -13.765 -6.495 1.00 0.00 O ATOM 0 H SER A 27 22.048 -11.646 -6.406 1.00 0.00 H new ATOM 0 HA SER A 27 19.459 -10.523 -6.425 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.729 -12.697 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.260 -12.324 -7.961 1.00 0.00 H new ATOM 0 HG SER A 27 21.029 -13.556 -5.828 1.00 0.00 H new ATOM 406 N ASP A 28 20.187 -12.172 -3.698 1.00 0.00 N ATOM 407 CA ASP A 28 19.777 -12.416 -2.311 1.00 0.00 C ATOM 408 C ASP A 28 19.342 -11.136 -1.568 1.00 0.00 C ATOM 409 O ASP A 28 18.447 -11.210 -0.721 1.00 0.00 O ATOM 410 CB ASP A 28 20.930 -13.091 -1.541 1.00 0.00 C ATOM 411 CG ASP A 28 20.988 -14.629 -1.666 1.00 0.00 C ATOM 412 OD1 ASP A 28 22.067 -15.206 -1.379 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.954 -15.283 -1.950 1.00 0.00 O ATOM 0 H ASP A 28 21.168 -12.394 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 28 18.905 -13.069 -2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.874 -12.677 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.843 -12.831 -0.486 1.00 0.00 H new ATOM 418 N LYS A 29 19.942 -9.972 -1.882 1.00 0.00 N ATOM 419 CA LYS A 29 19.573 -8.659 -1.301 1.00 0.00 C ATOM 420 C LYS A 29 18.927 -7.667 -2.291 1.00 0.00 C ATOM 421 O LYS A 29 18.622 -6.533 -1.919 1.00 0.00 O ATOM 422 CB LYS A 29 20.706 -8.040 -0.442 1.00 0.00 C ATOM 423 CG LYS A 29 22.163 -8.457 -0.730 1.00 0.00 C ATOM 424 CD LYS A 29 22.633 -9.761 -0.054 1.00 0.00 C ATOM 425 CE LYS A 29 22.601 -9.679 1.484 1.00 0.00 C ATOM 426 NZ LYS A 29 23.130 -10.921 2.124 1.00 0.00 N ATOM 0 H LYS A 29 20.707 -9.912 -2.554 1.00 0.00 H new ATOM 0 HA LYS A 29 18.762 -8.885 -0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.645 -6.957 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.495 -8.273 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.284 -8.564 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.822 -7.648 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.999 -10.585 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.648 -9.989 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.190 -8.823 1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.577 -9.508 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.090 -10.822 3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.553 -11.735 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.116 -11.071 1.828 1.00 0.00 H new ATOM 440 N TRP A 30 18.673 -8.083 -3.531 1.00 0.00 N ATOM 441 CA TRP A 30 18.055 -7.246 -4.563 1.00 0.00 C ATOM 442 C TRP A 30 16.579 -6.923 -4.277 1.00 0.00 C ATOM 443 O TRP A 30 15.761 -7.818 -4.045 1.00 0.00 O ATOM 444 CB TRP A 30 18.194 -7.900 -5.942 1.00 0.00 C ATOM 445 CG TRP A 30 17.544 -7.108 -7.031 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.488 -7.502 -7.778 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.832 -5.738 -7.437 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.112 -6.475 -8.623 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.897 -5.356 -8.443 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.781 -4.774 -7.036 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.909 -4.084 -9.031 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.789 -3.489 -7.605 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.863 -3.143 -8.603 1.00 0.00 C ATOM 0 H TRP A 30 18.894 -9.025 -3.854 1.00 0.00 H new ATOM 0 HA TRP A 30 18.593 -6.298 -4.551 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.252 -8.026 -6.173 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.753 -8.896 -5.912 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.012 -8.470 -7.723 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.348 -6.537 -9.296 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.511 -5.027 -6.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.196 -3.830 -9.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.514 -2.761 -7.272 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.883 -2.156 -9.041 1.00 0.00 H new ATOM 464 N GLU A 31 16.233 -5.634 -4.350 1.00 0.00 N ATOM 465 CA GLU A 31 14.887 -5.086 -4.350 1.00 0.00 C ATOM 466 C GLU A 31 14.904 -3.682 -4.990 1.00 0.00 C ATOM 467 O GLU A 31 15.877 -2.938 -4.831 1.00 0.00 O ATOM 468 CB GLU A 31 14.346 -5.028 -2.916 1.00 0.00 C ATOM 469 CG GLU A 31 15.190 -4.248 -1.894 1.00 0.00 C ATOM 470 CD GLU A 31 14.563 -4.359 -0.490 1.00 0.00 C ATOM 471 OE1 GLU A 31 13.642 -3.569 -0.166 1.00 0.00 O ATOM 472 OE2 GLU A 31 14.985 -5.233 0.307 1.00 0.00 O ATOM 0 H GLU A 31 16.940 -4.902 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 31 14.229 -5.728 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.350 -4.585 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.230 -6.049 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.207 -4.639 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.256 -3.201 -2.189 1.00 0.00 H new ATOM 479 N SER A 32 13.838 -3.313 -5.709 1.00 0.00 N ATOM 480 CA SER A 32 13.673 -1.968 -6.283 1.00 0.00 C ATOM 481 C SER A 32 12.200 -1.601 -6.539 1.00 0.00 C ATOM 482 O SER A 32 11.320 -2.465 -6.507 1.00 0.00 O ATOM 483 CB SER A 32 14.477 -1.828 -7.568 1.00 0.00 C ATOM 484 OG SER A 32 14.747 -0.448 -7.759 1.00 0.00 O ATOM 0 H SER A 32 13.060 -3.941 -5.912 1.00 0.00 H new ATOM 0 HA SER A 32 14.053 -1.268 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.406 -2.394 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.919 -2.229 -8.414 1.00 0.00 H new ATOM 0 HG SER A 32 14.927 -0.278 -8.707 1.00 0.00 H new ATOM 490 N ASP A 33 11.926 -0.319 -6.800 1.00 0.00 N ATOM 491 CA ASP A 33 10.564 0.201 -7.030 1.00 0.00 C ATOM 492 C ASP A 33 10.069 0.044 -8.486 1.00 0.00 C ATOM 493 O ASP A 33 8.870 -0.132 -8.721 1.00 0.00 O ATOM 494 CB ASP A 33 10.506 1.669 -6.598 1.00 0.00 C ATOM 495 CG ASP A 33 9.075 2.221 -6.740 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.202 1.859 -5.912 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.824 3.006 -7.686 1.00 0.00 O ATOM 0 H ASP A 33 12.648 0.399 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 33 9.887 -0.404 -6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.836 1.762 -5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.191 2.260 -7.206 1.00 0.00 H new ATOM 502 N TYR A 34 10.987 0.082 -9.462 1.00 0.00 N ATOM 503 CA TYR A 34 10.692 -0.106 -10.891 1.00 0.00 C ATOM 504 C TYR A 34 10.488 -1.597 -11.263 1.00 0.00 C ATOM 505 O TYR A 34 10.427 -2.481 -10.405 1.00 0.00 O ATOM 506 CB TYR A 34 11.782 0.586 -11.741 1.00 0.00 C ATOM 507 CG TYR A 34 13.044 -0.235 -11.919 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.355 -0.822 -13.161 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.874 -0.472 -10.814 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.463 -1.682 -13.274 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.971 -1.344 -10.912 1.00 0.00 C ATOM 512 CZ TYR A 34 15.272 -1.951 -12.148 1.00 0.00 C ATOM 513 OH TYR A 34 16.334 -2.793 -12.256 1.00 0.00 O ATOM 0 H TYR A 34 11.976 0.248 -9.277 1.00 0.00 H new ATOM 0 HA TYR A 34 9.738 0.370 -11.115 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.370 0.816 -12.723 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.043 1.536 -11.274 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.743 -0.612 -14.026 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.667 0.022 -9.876 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.696 -2.138 -14.225 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.581 -1.548 -10.044 1.00 0.00 H new ATOM 0 HH TYR A 34 16.793 -2.854 -11.392 1.00 0.00 H new ATOM 523 N THR A 35 10.395 -1.891 -12.566 1.00 0.00 N ATOM 524 CA THR A 35 10.026 -3.206 -13.131 1.00 0.00 C ATOM 525 C THR A 35 11.118 -4.282 -12.981 1.00 0.00 C ATOM 526 O THR A 35 10.885 -5.438 -13.309 1.00 0.00 O ATOM 527 CB THR A 35 9.614 -3.047 -14.615 1.00 0.00 C ATOM 528 OG1 THR A 35 9.042 -1.769 -14.850 1.00 0.00 O ATOM 529 CG2 THR A 35 8.567 -4.074 -15.056 1.00 0.00 C ATOM 0 H THR A 35 10.581 -1.195 -13.288 1.00 0.00 H new ATOM 0 HA THR A 35 9.180 -3.565 -12.546 1.00 0.00 H new ATOM 0 HB THR A 35 10.534 -3.189 -15.181 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.791 -1.691 -15.794 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.318 -3.912 -16.105 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.968 -5.080 -14.929 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.669 -3.962 -14.449 1.00 0.00 H new ATOM 537 N GLY A 36 12.317 -3.951 -12.484 1.00 0.00 N ATOM 538 CA GLY A 36 13.337 -4.946 -12.103 1.00 0.00 C ATOM 539 C GLY A 36 13.921 -5.772 -13.248 1.00 0.00 C ATOM 540 O GLY A 36 14.411 -6.880 -13.037 1.00 0.00 O ATOM 0 H GLY A 36 12.611 -2.986 -12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.154 -4.427 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.898 -5.628 -11.375 1.00 0.00 H new ATOM 544 N ASN A 37 13.879 -5.259 -14.479 1.00 0.00 N ATOM 545 CA ASN A 37 14.346 -5.980 -15.670 1.00 0.00 C ATOM 546 C ASN A 37 15.863 -5.833 -15.884 1.00 0.00 C ATOM 547 O ASN A 37 16.318 -5.224 -16.849 1.00 0.00 O ATOM 548 CB ASN A 37 13.528 -5.566 -16.899 1.00 0.00 C ATOM 549 CG ASN A 37 12.032 -5.800 -16.780 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.233 -4.887 -16.912 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.602 -7.021 -16.548 1.00 0.00 N ATOM 0 H ASN A 37 13.518 -4.327 -14.681 1.00 0.00 H new ATOM 0 HA ASN A 37 14.179 -7.045 -15.509 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.701 -4.507 -17.093 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.899 -6.114 -17.765 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.601 -7.205 -16.478 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.269 -7.784 -16.438 1.00 0.00 H new ATOM 558 N LEU A 38 16.645 -6.391 -14.963 1.00 0.00 N ATOM 559 CA LEU A 38 18.115 -6.325 -14.953 1.00 0.00 C ATOM 560 C LEU A 38 18.810 -7.690 -14.999 1.00 0.00 C ATOM 561 O LEU A 38 18.286 -8.669 -14.476 1.00 0.00 O ATOM 562 CB LEU A 38 18.622 -5.477 -13.771 1.00 0.00 C ATOM 563 CG LEU A 38 18.714 -6.172 -12.392 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.232 -5.184 -11.361 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.383 -6.679 -11.849 1.00 0.00 C ATOM 0 H LEU A 38 16.267 -6.919 -14.176 1.00 0.00 H new ATOM 0 HA LEU A 38 18.391 -5.833 -15.886 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.612 -5.099 -14.026 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.967 -4.612 -13.670 1.00 0.00 H new ATOM 0 HG LEU A 38 19.373 -7.026 -12.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.297 -5.673 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.220 -4.833 -11.658 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.551 -4.336 -11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.542 -7.152 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.694 -5.842 -11.736 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.961 -7.406 -12.542 1.00 0.00 H new ATOM 577 N THR A 39 20.016 -7.733 -15.565 1.00 0.00 N ATOM 578 CA THR A 39 20.891 -8.915 -15.589 1.00 0.00 C ATOM 579 C THR A 39 22.347 -8.554 -15.275 1.00 0.00 C ATOM 580 O THR A 39 22.743 -7.387 -15.352 1.00 0.00 O ATOM 581 CB THR A 39 20.754 -9.677 -16.911 1.00 0.00 C ATOM 582 OG1 THR A 39 21.319 -10.951 -16.718 1.00 0.00 O ATOM 583 CG2 THR A 39 21.429 -9.007 -18.103 1.00 0.00 C ATOM 0 H THR A 39 20.427 -6.926 -16.034 1.00 0.00 H new ATOM 0 HA THR A 39 20.562 -9.585 -14.795 1.00 0.00 H new ATOM 0 HB THR A 39 19.693 -9.713 -17.159 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.060 -11.079 -17.346 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.281 -9.616 -18.995 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.993 -8.020 -18.261 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.496 -8.905 -17.907 1.00 0.00 H new ATOM 591 N ILE A 40 23.144 -9.549 -14.880 1.00 0.00 N ATOM 592 CA ILE A 40 24.509 -9.391 -14.357 1.00 0.00 C ATOM 593 C ILE A 40 25.482 -10.111 -15.288 1.00 0.00 C ATOM 594 O ILE A 40 25.340 -11.303 -15.549 1.00 0.00 O ATOM 595 CB ILE A 40 24.602 -9.955 -12.925 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.668 -9.183 -11.966 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.045 -9.925 -12.378 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.426 -9.940 -10.661 1.00 0.00 C ATOM 0 H ILE A 40 22.848 -10.525 -14.916 1.00 0.00 H new ATOM 0 HA ILE A 40 24.768 -8.333 -14.316 1.00 0.00 H new ATOM 0 HB ILE A 40 24.284 -10.996 -12.979 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.104 -8.209 -11.743 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.714 -9.000 -12.460 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.059 -10.332 -11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.690 -10.525 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.406 -8.897 -12.360 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.764 -9.358 -10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.965 -10.903 -10.879 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.376 -10.100 -10.151 1.00 0.00 H new ATOM 610 N ASN A 41 26.502 -9.387 -15.740 1.00 0.00 N ATOM 611 CA ASN A 41 27.499 -9.849 -16.697 1.00 0.00 C ATOM 612 C ASN A 41 28.887 -9.701 -16.055 1.00 0.00 C ATOM 613 O ASN A 41 29.120 -8.714 -15.357 1.00 0.00 O ATOM 614 CB ASN A 41 27.372 -9.017 -17.994 1.00 0.00 C ATOM 615 CG ASN A 41 25.938 -8.804 -18.479 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.421 -9.540 -19.306 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.265 -7.780 -17.990 1.00 0.00 N ATOM 0 H ASN A 41 26.662 -8.426 -15.437 1.00 0.00 H new ATOM 0 HA ASN A 41 27.348 -10.897 -16.957 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.834 -8.043 -17.832 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.938 -9.511 -18.783 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.311 -7.601 -18.302 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.699 -7.167 -17.300 1.00 0.00 H new ATOM 624 N GLU A 42 29.822 -10.626 -16.283 1.00 0.00 N ATOM 625 CA GLU A 42 31.222 -10.435 -15.869 1.00 0.00 C ATOM 626 C GLU A 42 32.238 -10.739 -16.980 1.00 0.00 C ATOM 627 O GLU A 42 31.970 -11.558 -17.866 1.00 0.00 O ATOM 628 CB GLU A 42 31.515 -11.198 -14.564 1.00 0.00 C ATOM 629 CG GLU A 42 31.736 -12.699 -14.737 1.00 0.00 C ATOM 630 CD GLU A 42 33.173 -13.139 -15.038 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.296 -14.287 -15.514 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.134 -12.394 -14.754 1.00 0.00 O ATOM 0 H GLU A 42 29.640 -11.514 -16.751 1.00 0.00 H new ATOM 0 HA GLU A 42 31.350 -9.372 -15.666 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.400 -10.766 -14.098 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.684 -11.044 -13.875 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.407 -13.201 -13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.094 -13.049 -15.545 1.00 0.00 H new ATOM 639 N ARG A 43 33.408 -10.091 -16.914 1.00 0.00 N ATOM 640 CA ARG A 43 34.576 -10.405 -17.749 1.00 0.00 C ATOM 641 C ARG A 43 35.740 -10.875 -16.865 1.00 0.00 C ATOM 642 O ARG A 43 36.239 -10.067 -16.073 1.00 0.00 O ATOM 643 CB ARG A 43 34.950 -9.206 -18.635 1.00 0.00 C ATOM 644 CG ARG A 43 36.035 -9.574 -19.662 1.00 0.00 C ATOM 645 CD ARG A 43 36.372 -8.376 -20.556 1.00 0.00 C ATOM 646 NE ARG A 43 37.426 -8.720 -21.532 1.00 0.00 N ATOM 647 CZ ARG A 43 37.902 -7.944 -22.490 1.00 0.00 C ATOM 648 NH1 ARG A 43 37.468 -6.729 -22.680 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.837 -8.379 -23.287 1.00 0.00 N ATOM 0 H ARG A 43 33.573 -9.320 -16.267 1.00 0.00 H new ATOM 0 HA ARG A 43 34.330 -11.224 -18.425 1.00 0.00 H new ATOM 0 HB2 ARG A 43 34.062 -8.848 -19.156 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.304 -8.387 -18.009 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.933 -9.910 -19.143 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.692 -10.406 -20.277 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.476 -8.049 -21.084 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.702 -7.540 -19.940 1.00 0.00 H new ATOM 0 HE ARG A 43 37.829 -9.654 -21.459 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.737 -6.349 -22.079 1.00 0.00 H new ATOM 0 HH12 ARG A 43 37.859 -6.159 -23.430 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.206 -9.323 -23.173 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.200 -7.775 -24.024 1.00 0.00 H new ATOM 663 N PRO A 44 36.195 -12.132 -17.013 1.00 0.00 N ATOM 664 CA PRO A 44 37.256 -12.698 -16.193 1.00 0.00 C ATOM 665 C PRO A 44 38.623 -12.219 -16.704 1.00 0.00 C ATOM 666 O PRO A 44 38.964 -12.401 -17.877 1.00 0.00 O ATOM 667 CB PRO A 44 37.055 -14.215 -16.287 1.00 0.00 C ATOM 668 CG PRO A 44 36.465 -14.411 -17.681 1.00 0.00 C ATOM 669 CD PRO A 44 35.617 -13.158 -17.872 1.00 0.00 C ATOM 0 HA PRO A 44 37.223 -12.383 -15.150 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.996 -14.752 -16.170 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.382 -14.579 -15.511 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.242 -14.492 -18.441 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.864 -15.318 -17.741 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.624 -12.840 -18.915 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.578 -13.348 -17.604 1.00 0.00 H new ATOM 677 N SER A 45 39.406 -11.604 -15.816 1.00 0.00 N ATOM 678 CA SER A 45 40.642 -10.890 -16.153 1.00 0.00 C ATOM 679 C SER A 45 41.711 -11.161 -15.093 1.00 0.00 C ATOM 680 O SER A 45 41.794 -10.467 -14.076 1.00 0.00 O ATOM 681 CB SER A 45 40.353 -9.384 -16.287 1.00 0.00 C ATOM 682 OG SER A 45 39.474 -9.127 -17.374 1.00 0.00 O ATOM 0 H SER A 45 39.195 -11.587 -14.818 1.00 0.00 H new ATOM 0 HA SER A 45 41.022 -11.250 -17.109 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.912 -9.011 -15.363 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.288 -8.843 -16.435 1.00 0.00 H new ATOM 0 HG SER A 45 39.305 -8.164 -17.437 1.00 0.00 H new ATOM 688 N ALA A 46 42.558 -12.166 -15.335 1.00 0.00 N ATOM 689 CA ALA A 46 43.506 -12.715 -14.353 1.00 0.00 C ATOM 690 C ALA A 46 44.588 -11.732 -13.856 1.00 0.00 C ATOM 691 O ALA A 46 45.256 -12.000 -12.853 1.00 0.00 O ATOM 692 CB ALA A 46 44.122 -13.986 -14.955 1.00 0.00 C ATOM 0 H ALA A 46 42.607 -12.634 -16.240 1.00 0.00 H new ATOM 0 HA ALA A 46 42.944 -12.939 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.831 -14.417 -14.248 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.333 -14.709 -15.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.640 -13.736 -15.881 1.00 0.00 H new ATOM 698 N ARG A 47 44.708 -10.559 -14.496 1.00 0.00 N ATOM 699 CA ARG A 47 45.453 -9.390 -13.987 1.00 0.00 C ATOM 700 C ARG A 47 45.029 -8.956 -12.573 1.00 0.00 C ATOM 701 O ARG A 47 45.863 -8.436 -11.833 1.00 0.00 O ATOM 702 CB ARG A 47 45.324 -8.221 -14.990 1.00 0.00 C ATOM 703 CG ARG A 47 43.885 -7.682 -15.133 1.00 0.00 C ATOM 704 CD ARG A 47 43.728 -6.659 -16.266 1.00 0.00 C ATOM 705 NE ARG A 47 44.390 -5.373 -15.960 1.00 0.00 N ATOM 706 CZ ARG A 47 44.366 -4.279 -16.705 1.00 0.00 C ATOM 707 NH1 ARG A 47 43.743 -4.233 -17.851 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.971 -3.196 -16.309 1.00 0.00 N ATOM 0 H ARG A 47 44.280 -10.389 -15.406 1.00 0.00 H new ATOM 0 HA ARG A 47 46.497 -9.688 -13.897 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.977 -7.408 -14.673 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.678 -8.551 -15.967 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.208 -8.517 -15.311 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.582 -7.221 -14.193 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.147 -7.071 -17.184 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.668 -6.484 -16.450 1.00 0.00 H new ATOM 0 HE ARG A 47 44.918 -5.324 -15.088 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.254 -5.058 -18.199 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.745 -3.372 -18.399 1.00 0.00 H new ATOM 0 HH21 ARG A 47 45.468 -3.186 -15.419 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.947 -2.357 -16.889 1.00 0.00 H new ATOM 722 N ALA A 48 43.751 -9.152 -12.208 1.00 0.00 N ATOM 723 CA ALA A 48 43.195 -8.689 -10.929 1.00 0.00 C ATOM 724 C ALA A 48 41.940 -9.437 -10.409 1.00 0.00 C ATOM 725 O ALA A 48 41.710 -9.421 -9.200 1.00 0.00 O ATOM 726 CB ALA A 48 42.885 -7.194 -11.089 1.00 0.00 C ATOM 0 H ALA A 48 43.073 -9.638 -12.795 1.00 0.00 H new ATOM 0 HA ALA A 48 43.947 -8.899 -10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.468 -6.807 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.802 -6.656 -11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.164 -7.056 -11.895 1.00 0.00 H new ATOM 732 N GLY A 49 41.119 -10.069 -11.262 1.00 0.00 N ATOM 733 CA GLY A 49 39.852 -10.703 -10.853 1.00 0.00 C ATOM 734 C GLY A 49 38.793 -10.689 -11.960 1.00 0.00 C ATOM 735 O GLY A 49 38.972 -11.343 -12.988 1.00 0.00 O ATOM 0 H GLY A 49 41.314 -10.156 -12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.047 -11.734 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.460 -10.188 -9.976 1.00 0.00 H new ATOM 739 N SER A 50 37.694 -9.955 -11.763 1.00 0.00 N ATOM 740 CA SER A 50 36.618 -9.799 -12.756 1.00 0.00 C ATOM 741 C SER A 50 36.109 -8.360 -12.876 1.00 0.00 C ATOM 742 O SER A 50 35.980 -7.639 -11.885 1.00 0.00 O ATOM 743 CB SER A 50 35.432 -10.729 -12.463 1.00 0.00 C ATOM 744 OG SER A 50 34.977 -10.618 -11.127 1.00 0.00 O ATOM 0 H SER A 50 37.521 -9.443 -10.898 1.00 0.00 H new ATOM 0 HA SER A 50 37.071 -10.075 -13.708 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.613 -10.495 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.725 -11.760 -12.660 1.00 0.00 H new ATOM 0 HG SER A 50 34.221 -11.226 -10.987 1.00 0.00 H new ATOM 750 N TRP A 51 35.737 -7.956 -14.094 1.00 0.00 N ATOM 751 CA TRP A 51 34.830 -6.821 -14.286 1.00 0.00 C ATOM 752 C TRP A 51 33.403 -7.308 -14.077 1.00 0.00 C ATOM 753 O TRP A 51 33.038 -8.319 -14.661 1.00 0.00 O ATOM 754 CB TRP A 51 34.979 -6.231 -15.695 1.00 0.00 C ATOM 755 CG TRP A 51 35.838 -5.017 -15.788 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.093 -4.972 -16.283 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.505 -3.649 -15.399 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.569 -3.676 -16.219 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.625 -2.815 -15.696 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.368 -3.033 -14.831 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.617 -1.435 -15.442 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.353 -1.649 -14.572 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.469 -0.850 -14.881 1.00 0.00 C ATOM 0 H TRP A 51 36.049 -8.397 -14.959 1.00 0.00 H new ATOM 0 HA TRP A 51 35.074 -6.037 -13.569 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.390 -6.998 -16.351 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.987 -5.985 -16.075 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.641 -5.819 -16.670 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.501 -3.391 -16.520 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.500 -3.630 -14.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.481 -0.831 -15.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.477 -1.197 -14.132 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.443 0.212 -14.687 1.00 0.00 H new ATOM 774 N ILE A 52 32.590 -6.583 -13.311 1.00 0.00 N ATOM 775 CA ILE A 52 31.144 -6.798 -13.167 1.00 0.00 C ATOM 776 C ILE A 52 30.398 -5.652 -13.841 1.00 0.00 C ATOM 777 O ILE A 52 30.692 -4.489 -13.572 1.00 0.00 O ATOM 778 CB ILE A 52 30.741 -6.909 -11.681 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.538 -7.982 -10.913 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.232 -7.183 -11.542 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.438 -9.393 -11.502 1.00 0.00 C ATOM 0 H ILE A 52 32.929 -5.800 -12.752 1.00 0.00 H new ATOM 0 HA ILE A 52 30.878 -7.739 -13.648 1.00 0.00 H new ATOM 0 HB ILE A 52 30.983 -5.946 -11.232 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.587 -7.687 -10.886 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.187 -8.007 -9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.971 -7.257 -10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.671 -6.367 -11.998 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.984 -8.119 -12.043 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.029 -10.082 -10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.396 -9.714 -11.503 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.818 -9.388 -12.524 1.00 0.00 H new ATOM 793 N THR A 53 29.401 -5.981 -14.661 1.00 0.00 N ATOM 794 CA THR A 53 28.605 -5.023 -15.439 1.00 0.00 C ATOM 795 C THR A 53 27.135 -5.417 -15.371 1.00 0.00 C ATOM 796 O THR A 53 26.746 -6.484 -15.851 1.00 0.00 O ATOM 797 CB THR A 53 29.102 -4.981 -16.897 1.00 0.00 C ATOM 798 OG1 THR A 53 30.476 -4.650 -16.924 1.00 0.00 O ATOM 799 CG2 THR A 53 28.391 -3.920 -17.734 1.00 0.00 C ATOM 0 H THR A 53 29.114 -6.948 -14.809 1.00 0.00 H new ATOM 0 HA THR A 53 28.719 -4.024 -15.019 1.00 0.00 H new ATOM 0 HB THR A 53 28.901 -5.969 -17.312 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.788 -4.626 -17.853 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.782 -3.937 -18.751 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.321 -4.128 -17.753 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.561 -2.937 -17.296 1.00 0.00 H new ATOM 807 N ILE A 54 26.297 -4.562 -14.785 1.00 0.00 N ATOM 808 CA ILE A 54 24.846 -4.772 -14.682 1.00 0.00 C ATOM 809 C ILE A 54 24.136 -3.967 -15.769 1.00 0.00 C ATOM 810 O ILE A 54 24.370 -2.767 -15.949 1.00 0.00 O ATOM 811 CB ILE A 54 24.341 -4.559 -13.234 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.812 -4.675 -13.041 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.875 -3.265 -12.606 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.968 -3.479 -13.510 1.00 0.00 C ATOM 0 H ILE A 54 26.609 -3.689 -14.360 1.00 0.00 H new ATOM 0 HA ILE A 54 24.593 -5.813 -14.880 1.00 0.00 H new ATOM 0 HB ILE A 54 24.764 -5.407 -12.695 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.468 -5.564 -13.570 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.613 -4.838 -11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.489 -3.167 -11.591 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.964 -3.296 -12.579 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.552 -2.411 -13.201 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.914 -3.681 -13.321 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.269 -2.585 -12.964 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.122 -3.322 -14.578 1.00 0.00 H new ATOM 826 N THR A 55 23.257 -4.649 -16.500 1.00 0.00 N ATOM 827 CA THR A 55 22.488 -4.091 -17.617 1.00 0.00 C ATOM 828 C THR A 55 20.986 -4.182 -17.345 1.00 0.00 C ATOM 829 O THR A 55 20.503 -5.183 -16.820 1.00 0.00 O ATOM 830 CB THR A 55 22.863 -4.779 -18.943 1.00 0.00 C ATOM 831 OG1 THR A 55 22.821 -6.184 -18.804 1.00 0.00 O ATOM 832 CG2 THR A 55 24.291 -4.469 -19.389 1.00 0.00 C ATOM 0 H THR A 55 23.052 -5.633 -16.329 1.00 0.00 H new ATOM 0 HA THR A 55 22.743 -3.035 -17.711 1.00 0.00 H new ATOM 0 HB THR A 55 22.143 -4.403 -19.670 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.060 -6.604 -19.656 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.498 -4.981 -20.329 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.403 -3.394 -19.529 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.992 -4.811 -18.628 1.00 0.00 H new ATOM 840 N VAL A 56 20.233 -3.135 -17.699 1.00 0.00 N ATOM 841 CA VAL A 56 18.758 -3.101 -17.680 1.00 0.00 C ATOM 842 C VAL A 56 18.256 -3.321 -19.103 1.00 0.00 C ATOM 843 O VAL A 56 18.544 -2.528 -19.995 1.00 0.00 O ATOM 844 CB VAL A 56 18.231 -1.805 -17.025 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.744 -1.536 -17.288 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.396 -1.949 -15.510 1.00 0.00 C ATOM 0 H VAL A 56 20.642 -2.257 -18.018 1.00 0.00 H new ATOM 0 HA VAL A 56 18.365 -3.904 -17.056 1.00 0.00 H new ATOM 0 HB VAL A 56 18.798 -0.979 -17.455 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.449 -0.609 -16.796 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.575 -1.447 -18.361 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.150 -2.361 -16.894 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.032 -1.048 -15.017 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.824 -2.809 -15.162 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.450 -2.093 -15.271 1.00 0.00 H new ATOM 856 N ASN A 57 17.541 -4.427 -19.311 1.00 0.00 N ATOM 857 CA ASN A 57 17.139 -5.019 -20.599 1.00 0.00 C ATOM 858 C ASN A 57 18.320 -5.290 -21.557 1.00 0.00 C ATOM 859 O ASN A 57 18.710 -6.440 -21.757 1.00 0.00 O ATOM 860 CB ASN A 57 16.011 -4.197 -21.256 1.00 0.00 C ATOM 861 CG ASN A 57 14.749 -4.145 -20.411 1.00 0.00 C ATOM 862 OD1 ASN A 57 14.043 -5.127 -20.246 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.433 -3.000 -19.848 1.00 0.00 N ATOM 0 H ASN A 57 17.198 -4.980 -18.525 1.00 0.00 H new ATOM 0 HA ASN A 57 16.740 -6.008 -20.375 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.365 -3.182 -21.435 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.774 -4.628 -22.229 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.595 -2.930 -19.271 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.026 -2.182 -19.988 1.00 0.00 H new ATOM 870 N GLN A 58 18.882 -4.224 -22.134 1.00 0.00 N ATOM 871 CA GLN A 58 19.999 -4.232 -23.090 1.00 0.00 C ATOM 872 C GLN A 58 20.982 -3.051 -22.901 1.00 0.00 C ATOM 873 O GLN A 58 21.878 -2.854 -23.722 1.00 0.00 O ATOM 874 CB GLN A 58 19.428 -4.288 -24.520 1.00 0.00 C ATOM 875 CG GLN A 58 18.506 -3.105 -24.870 1.00 0.00 C ATOM 876 CD GLN A 58 18.102 -3.118 -26.344 1.00 0.00 C ATOM 877 OE1 GLN A 58 17.029 -3.573 -26.721 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.943 -2.635 -27.237 1.00 0.00 N ATOM 0 H GLN A 58 18.553 -3.279 -21.937 1.00 0.00 H new ATOM 0 HA GLN A 58 20.601 -5.121 -22.901 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.255 -4.314 -25.230 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.873 -5.218 -24.643 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.612 -3.144 -24.248 1.00 0.00 H new ATOM 0 HG3 GLN A 58 19.013 -2.168 -24.640 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.840 -2.253 -26.938 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.696 -2.644 -28.227 1.00 0.00 H new ATOM 887 N ASP A 59 20.822 -2.257 -21.835 1.00 0.00 N ATOM 888 CA ASP A 59 21.567 -1.011 -21.589 1.00 0.00 C ATOM 889 C ASP A 59 22.376 -1.087 -20.290 1.00 0.00 C ATOM 890 O ASP A 59 21.841 -1.464 -19.249 1.00 0.00 O ATOM 891 CB ASP A 59 20.584 0.169 -21.530 1.00 0.00 C ATOM 892 CG ASP A 59 20.006 0.508 -22.913 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.792 0.285 -23.141 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.761 1.024 -23.772 1.00 0.00 O ATOM 0 H ASP A 59 20.151 -2.468 -21.096 1.00 0.00 H new ATOM 0 HA ASP A 59 22.271 -0.865 -22.408 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.770 -0.071 -20.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.092 1.044 -21.125 1.00 0.00 H new ATOM 899 N VAL A 60 23.659 -0.710 -20.310 1.00 0.00 N ATOM 900 CA VAL A 60 24.485 -0.644 -19.087 1.00 0.00 C ATOM 901 C VAL A 60 24.114 0.569 -18.229 1.00 0.00 C ATOM 902 O VAL A 60 23.899 1.666 -18.745 1.00 0.00 O ATOM 903 CB VAL A 60 25.996 -0.722 -19.401 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.514 0.422 -20.281 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.840 -0.767 -18.120 1.00 0.00 C ATOM 0 H VAL A 60 24.155 -0.444 -21.161 1.00 0.00 H new ATOM 0 HA VAL A 60 24.261 -1.528 -18.490 1.00 0.00 H new ATOM 0 HB VAL A 60 26.105 -1.650 -19.962 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.582 0.293 -20.454 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.988 0.413 -21.236 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.340 1.374 -19.780 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.897 -0.822 -18.382 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.658 0.133 -17.532 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.566 -1.644 -17.534 1.00 0.00 H new ATOM 915 N ILE A 61 24.062 0.361 -16.908 1.00 0.00 N ATOM 916 CA ILE A 61 23.801 1.424 -15.921 1.00 0.00 C ATOM 917 C ILE A 61 24.835 1.497 -14.793 1.00 0.00 C ATOM 918 O ILE A 61 25.046 2.576 -14.242 1.00 0.00 O ATOM 919 CB ILE A 61 22.385 1.300 -15.328 1.00 0.00 C ATOM 920 CG1 ILE A 61 22.007 -0.130 -14.902 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.347 1.878 -16.301 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.839 -0.122 -13.915 1.00 0.00 C ATOM 0 H ILE A 61 24.201 -0.558 -16.487 1.00 0.00 H new ATOM 0 HA ILE A 61 23.884 2.356 -16.479 1.00 0.00 H new ATOM 0 HB ILE A 61 22.388 1.885 -14.408 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.739 -0.716 -15.782 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.869 -0.616 -14.445 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.351 1.784 -15.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.565 2.930 -16.483 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.387 1.331 -17.243 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.595 -1.146 -13.632 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.118 0.443 -13.026 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.971 0.342 -14.383 1.00 0.00 H new ATOM 934 N PHE A 62 25.493 0.382 -14.455 1.00 0.00 N ATOM 935 CA PHE A 62 26.564 0.359 -13.459 1.00 0.00 C ATOM 936 C PHE A 62 27.568 -0.755 -13.762 1.00 0.00 C ATOM 937 O PHE A 62 27.208 -1.819 -14.267 1.00 0.00 O ATOM 938 CB PHE A 62 25.961 0.245 -12.044 1.00 0.00 C ATOM 939 CG PHE A 62 26.990 0.004 -10.950 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.146 -1.268 -10.360 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.859 1.048 -10.581 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.179 -1.499 -9.431 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.882 0.819 -9.645 1.00 0.00 C ATOM 944 CZ PHE A 62 29.041 -0.452 -9.072 1.00 0.00 C ATOM 0 H PHE A 62 25.295 -0.530 -14.867 1.00 0.00 H new ATOM 0 HA PHE A 62 27.120 1.295 -13.505 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.414 1.160 -11.819 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.237 -0.570 -12.033 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.470 -2.068 -10.622 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.739 2.028 -11.019 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.307 -2.479 -8.996 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.547 1.623 -9.366 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.828 -0.625 -8.353 1.00 0.00 H new ATOM 954 N GLN A 63 28.837 -0.501 -13.448 1.00 0.00 N ATOM 955 CA GLN A 63 29.919 -1.478 -13.560 1.00 0.00 C ATOM 956 C GLN A 63 31.075 -1.170 -12.596 1.00 0.00 C ATOM 957 O GLN A 63 31.365 -0.007 -12.308 1.00 0.00 O ATOM 958 CB GLN A 63 30.389 -1.588 -15.024 1.00 0.00 C ATOM 959 CG GLN A 63 30.909 -0.287 -15.656 1.00 0.00 C ATOM 960 CD GLN A 63 31.231 -0.476 -17.139 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.639 0.140 -18.016 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.174 -1.328 -17.482 1.00 0.00 N ATOM 0 H GLN A 63 29.148 0.407 -13.102 1.00 0.00 H new ATOM 0 HA GLN A 63 29.532 -2.452 -13.260 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.179 -2.337 -15.078 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.559 -1.956 -15.626 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.162 0.499 -15.542 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.803 0.044 -15.127 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.677 -1.849 -16.763 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.402 -1.467 -18.466 1.00 0.00 H new ATOM 971 N THR A 64 31.737 -2.216 -12.097 1.00 0.00 N ATOM 972 CA THR A 64 32.836 -2.128 -11.119 1.00 0.00 C ATOM 973 C THR A 64 33.768 -3.344 -11.195 1.00 0.00 C ATOM 974 O THR A 64 33.412 -4.371 -11.776 1.00 0.00 O ATOM 975 CB THR A 64 32.260 -1.963 -9.703 1.00 0.00 C ATOM 976 OG1 THR A 64 33.300 -1.671 -8.794 1.00 0.00 O ATOM 977 CG2 THR A 64 31.498 -3.194 -9.200 1.00 0.00 C ATOM 0 H THR A 64 31.522 -3.176 -12.366 1.00 0.00 H new ATOM 0 HA THR A 64 33.438 -1.253 -11.363 1.00 0.00 H new ATOM 0 HB THR A 64 31.544 -1.143 -9.763 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.927 -1.565 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.121 -3.003 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.662 -3.402 -9.868 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.168 -4.053 -9.179 1.00 0.00 H new ATOM 985 N PHE A 65 34.959 -3.248 -10.608 1.00 0.00 N ATOM 986 CA PHE A 65 35.931 -4.341 -10.553 1.00 0.00 C ATOM 987 C PHE A 65 35.811 -5.129 -9.234 1.00 0.00 C ATOM 988 O PHE A 65 35.776 -4.535 -8.152 1.00 0.00 O ATOM 989 CB PHE A 65 37.345 -3.780 -10.778 1.00 0.00 C ATOM 990 CG PHE A 65 38.224 -4.708 -11.591 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.509 -4.408 -12.936 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.722 -5.893 -11.022 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.272 -5.298 -13.712 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.454 -6.798 -11.808 1.00 0.00 C ATOM 995 CZ PHE A 65 39.728 -6.502 -13.156 1.00 0.00 C ATOM 0 H PHE A 65 35.282 -2.396 -10.150 1.00 0.00 H new ATOM 0 HA PHE A 65 35.720 -5.053 -11.351 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.272 -2.818 -11.286 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.815 -3.595 -9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.141 -3.492 -13.373 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.542 -6.108 -9.979 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.507 -5.054 -14.737 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.807 -7.723 -11.377 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.288 -7.200 -13.761 1.00 0.00 H new ATOM 1005 N LEU A 66 35.766 -6.461 -9.317 1.00 0.00 N ATOM 1006 CA LEU A 66 35.852 -7.382 -8.180 1.00 0.00 C ATOM 1007 C LEU A 66 37.234 -8.048 -8.085 1.00 0.00 C ATOM 1008 O LEU A 66 37.834 -8.424 -9.094 1.00 0.00 O ATOM 1009 CB LEU A 66 34.768 -8.463 -8.279 1.00 0.00 C ATOM 1010 CG LEU A 66 33.384 -8.113 -7.729 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.522 -9.365 -7.874 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.386 -7.767 -6.239 1.00 0.00 C ATOM 0 H LEU A 66 35.665 -6.945 -10.209 1.00 0.00 H new ATOM 0 HA LEU A 66 35.697 -6.791 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.656 -8.735 -9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.126 -9.350 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 66 33.023 -7.243 -8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.521 -9.163 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.461 -9.645 -8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.968 -10.182 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.371 -7.530 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.757 -8.618 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.032 -6.906 -6.066 1.00 0.00 H new ATOM 1024 N PHE A 67 37.687 -8.265 -6.847 1.00 0.00 N ATOM 1025 CA PHE A 67 38.994 -8.856 -6.525 1.00 0.00 C ATOM 1026 C PHE A 67 38.833 -10.081 -5.593 1.00 0.00 C ATOM 1027 O PHE A 67 38.112 -9.988 -4.596 1.00 0.00 O ATOM 1028 CB PHE A 67 39.892 -7.783 -5.885 1.00 0.00 C ATOM 1029 CG PHE A 67 39.991 -6.473 -6.653 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.064 -5.440 -6.405 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.008 -6.277 -7.607 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.143 -4.228 -7.114 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.094 -5.059 -8.307 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.160 -4.036 -8.065 1.00 0.00 C ATOM 0 H PHE A 67 37.142 -8.029 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 67 39.464 -9.210 -7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.518 -7.570 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.895 -8.194 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.289 -5.580 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 67 41.723 -7.063 -7.802 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.423 -3.445 -6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 67 41.880 -4.910 -9.032 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.224 -3.105 -8.609 1.00 0.00 H new ATOM 1044 N PRO A 68 39.484 -11.229 -5.881 1.00 0.00 N ATOM 1045 CA PRO A 68 39.299 -12.481 -5.133 1.00 0.00 C ATOM 1046 C PRO A 68 40.088 -12.552 -3.811 1.00 0.00 C ATOM 1047 O PRO A 68 39.629 -13.189 -2.861 1.00 0.00 O ATOM 1048 CB PRO A 68 39.734 -13.581 -6.109 1.00 0.00 C ATOM 1049 CG PRO A 68 40.805 -12.888 -6.950 1.00 0.00 C ATOM 1050 CD PRO A 68 40.265 -11.476 -7.083 1.00 0.00 C ATOM 0 HA PRO A 68 38.263 -12.580 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.131 -14.451 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.902 -13.930 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.778 -12.905 -6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.929 -13.367 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.077 -10.755 -7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.648 -11.377 -7.976 1.00 0.00 H new ATOM 1058 N LEU A 69 41.261 -11.902 -3.732 1.00 0.00 N ATOM 1059 CA LEU A 69 42.118 -11.892 -2.528 1.00 0.00 C ATOM 1060 C LEU A 69 41.724 -10.798 -1.517 1.00 0.00 C ATOM 1061 O LEU A 69 42.070 -10.895 -0.336 1.00 0.00 O ATOM 1062 CB LEU A 69 43.602 -11.753 -2.948 1.00 0.00 C ATOM 1063 CG LEU A 69 44.377 -13.059 -3.228 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.517 -13.931 -1.979 1.00 0.00 C ATOM 1065 CD2 LEU A 69 43.763 -13.902 -4.344 1.00 0.00 C ATOM 0 H LEU A 69 41.647 -11.363 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 69 41.971 -12.842 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.644 -11.135 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 44.127 -11.210 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 69 45.362 -12.724 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.069 -14.837 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 45.055 -13.379 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 69 43.527 -14.199 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 69 44.358 -14.804 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 42.744 -14.178 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 43.748 -13.326 -5.269 1.00 0.00 H new ATOM 1077 N LYS A 70 41.000 -9.764 -1.968 1.00 0.00 N ATOM 1078 CA LYS A 70 40.527 -8.632 -1.145 1.00 0.00 C ATOM 1079 C LYS A 70 39.120 -8.897 -0.582 1.00 0.00 C ATOM 1080 O LYS A 70 38.323 -9.617 -1.184 1.00 0.00 O ATOM 1081 CB LYS A 70 40.625 -7.340 -1.981 1.00 0.00 C ATOM 1082 CG LYS A 70 40.560 -6.048 -1.152 1.00 0.00 C ATOM 1083 CD LYS A 70 40.760 -4.816 -2.051 1.00 0.00 C ATOM 1084 CE LYS A 70 40.646 -3.487 -1.286 1.00 0.00 C ATOM 1085 NZ LYS A 70 41.807 -3.236 -0.382 1.00 0.00 N ATOM 0 H LYS A 70 40.717 -9.686 -2.945 1.00 0.00 H new ATOM 0 HA LYS A 70 41.162 -8.512 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 70 41.560 -7.353 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.816 -7.331 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 70 39.597 -5.983 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.327 -6.068 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.741 -4.874 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 70 40.019 -4.833 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 70 40.565 -2.668 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 70 39.728 -3.489 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 41.676 -2.327 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 41.872 -4.001 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 42.683 -3.205 -0.942 1.00 0.00 H new ATOM 1099 N ARG A 71 38.803 -8.299 0.575 1.00 0.00 N ATOM 1100 CA ARG A 71 37.547 -8.518 1.334 1.00 0.00 C ATOM 1101 C ARG A 71 36.460 -7.462 1.082 1.00 0.00 C ATOM 1102 O ARG A 71 35.537 -7.316 1.881 1.00 0.00 O ATOM 1103 CB ARG A 71 37.877 -8.741 2.826 1.00 0.00 C ATOM 1104 CG ARG A 71 38.685 -10.035 3.035 1.00 0.00 C ATOM 1105 CD ARG A 71 38.949 -10.330 4.518 1.00 0.00 C ATOM 1106 NE ARG A 71 39.867 -9.345 5.129 1.00 0.00 N ATOM 1107 CZ ARG A 71 41.191 -9.374 5.137 1.00 0.00 C ATOM 1108 NH1 ARG A 71 41.872 -10.316 4.545 1.00 0.00 N ATOM 1109 NH2 ARG A 71 41.863 -8.442 5.748 1.00 0.00 N ATOM 0 H ARG A 71 39.425 -7.630 1.028 1.00 0.00 H new ATOM 0 HA ARG A 71 37.083 -9.427 0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.444 -7.891 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.953 -8.791 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.145 -10.872 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.636 -9.955 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 71 38.004 -10.328 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.372 -11.329 4.618 1.00 0.00 H new ATOM 0 HE ARG A 71 39.430 -8.552 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 71 41.385 -11.065 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 71 42.892 -10.303 4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 71 41.370 -7.686 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 71 42.883 -8.468 5.752 1.00 0.00 H new ATOM 1123 N ASP A 72 36.533 -6.737 -0.037 1.00 0.00 N ATOM 1124 CA ASP A 72 35.507 -5.759 -0.442 1.00 0.00 C ATOM 1125 C ASP A 72 34.244 -6.392 -1.033 1.00 0.00 C ATOM 1126 O ASP A 72 33.228 -5.711 -1.088 1.00 0.00 O ATOM 1127 CB ASP A 72 36.069 -4.742 -1.443 1.00 0.00 C ATOM 1128 CG ASP A 72 36.281 -5.355 -2.842 1.00 0.00 C ATOM 1129 OD1 ASP A 72 35.387 -5.203 -3.712 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.328 -6.010 -3.048 1.00 0.00 O ATOM 0 H ASP A 72 37.309 -6.809 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 72 35.219 -5.258 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.387 -3.895 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.017 -4.355 -1.071 1.00 0.00 H new ATOM 1135 N PHE A 73 34.278 -7.662 -1.460 1.00 0.00 N ATOM 1136 CA PHE A 73 33.211 -8.299 -2.250 1.00 0.00 C ATOM 1137 C PHE A 73 31.801 -8.042 -1.693 1.00 0.00 C ATOM 1138 O PHE A 73 30.926 -7.590 -2.426 1.00 0.00 O ATOM 1139 CB PHE A 73 33.522 -9.803 -2.380 1.00 0.00 C ATOM 1140 CG PHE A 73 32.381 -10.643 -2.924 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.327 -10.961 -4.293 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.361 -11.096 -2.060 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.241 -11.692 -4.807 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.271 -11.815 -2.573 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.208 -12.102 -3.945 1.00 0.00 C ATOM 0 H PHE A 73 35.060 -8.287 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 73 33.200 -7.842 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.388 -9.926 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.803 -10.188 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.122 -10.643 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.420 -10.889 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.200 -11.937 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.483 -12.147 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.361 -12.641 -4.342 1.00 0.00 H new ATOM 1155 N GLU A 74 31.589 -8.237 -0.386 1.00 0.00 N ATOM 1156 CA GLU A 74 30.279 -8.020 0.253 1.00 0.00 C ATOM 1157 C GLU A 74 29.836 -6.551 0.172 1.00 0.00 C ATOM 1158 O GLU A 74 28.690 -6.244 -0.156 1.00 0.00 O ATOM 1159 CB GLU A 74 30.366 -8.471 1.717 1.00 0.00 C ATOM 1160 CG GLU A 74 28.981 -8.750 2.309 1.00 0.00 C ATOM 1161 CD GLU A 74 29.094 -9.195 3.779 1.00 0.00 C ATOM 1162 OE1 GLU A 74 28.995 -10.415 4.060 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.281 -8.328 4.667 1.00 0.00 O ATOM 0 H GLU A 74 32.315 -8.548 0.259 1.00 0.00 H new ATOM 0 HA GLU A 74 29.530 -8.606 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 74 30.978 -9.370 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.865 -7.701 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.365 -7.853 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.481 -9.525 1.727 1.00 0.00 H new ATOM 1170 N LYS A 75 30.783 -5.636 0.401 1.00 0.00 N ATOM 1171 CA LYS A 75 30.572 -4.182 0.346 1.00 0.00 C ATOM 1172 C LYS A 75 30.258 -3.739 -1.084 1.00 0.00 C ATOM 1173 O LYS A 75 29.276 -3.039 -1.311 1.00 0.00 O ATOM 1174 CB LYS A 75 31.787 -3.436 0.944 1.00 0.00 C ATOM 1175 CG LYS A 75 32.025 -3.822 2.418 1.00 0.00 C ATOM 1176 CD LYS A 75 33.156 -4.851 2.601 1.00 0.00 C ATOM 1177 CE LYS A 75 32.993 -5.613 3.925 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.213 -6.405 4.257 1.00 0.00 N ATOM 0 H LYS A 75 31.743 -5.890 0.636 1.00 0.00 H new ATOM 0 HA LYS A 75 29.707 -3.923 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.678 -3.665 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.626 -2.360 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.264 -2.924 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.103 -4.228 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.151 -5.555 1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.121 -4.344 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.787 -4.906 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.133 -6.279 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.946 -7.230 4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.667 -6.727 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.878 -5.811 4.792 1.00 0.00 H new ATOM 1192 N THR A 76 31.012 -4.242 -2.057 1.00 0.00 N ATOM 1193 CA THR A 76 30.805 -4.020 -3.496 1.00 0.00 C ATOM 1194 C THR A 76 29.460 -4.577 -3.980 1.00 0.00 C ATOM 1195 O THR A 76 28.771 -3.898 -4.740 1.00 0.00 O ATOM 1196 CB THR A 76 32.001 -4.597 -4.280 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.134 -3.817 -3.975 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.811 -4.551 -5.798 1.00 0.00 C ATOM 0 H THR A 76 31.816 -4.839 -1.864 1.00 0.00 H new ATOM 0 HA THR A 76 30.757 -2.947 -3.683 1.00 0.00 H new ATOM 0 HB THR A 76 32.105 -5.642 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.851 -4.397 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.689 -4.972 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.930 -5.131 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.679 -3.517 -6.117 1.00 0.00 H new ATOM 1206 N VAL A 77 29.015 -5.739 -3.485 1.00 0.00 N ATOM 1207 CA VAL A 77 27.663 -6.276 -3.748 1.00 0.00 C ATOM 1208 C VAL A 77 26.596 -5.324 -3.213 1.00 0.00 C ATOM 1209 O VAL A 77 25.748 -4.884 -3.984 1.00 0.00 O ATOM 1210 CB VAL A 77 27.479 -7.696 -3.166 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.011 -8.141 -3.142 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.242 -8.734 -3.996 1.00 0.00 C ATOM 0 H VAL A 77 29.582 -6.340 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 77 27.548 -6.357 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 77 27.863 -7.641 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.942 -9.145 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.432 -7.451 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.615 -8.143 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.095 -9.724 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.870 -8.726 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.305 -8.491 -3.994 1.00 0.00 H new ATOM 1222 N VAL A 78 26.650 -4.952 -1.928 1.00 0.00 N ATOM 1223 CA VAL A 78 25.636 -4.078 -1.299 1.00 0.00 C ATOM 1224 C VAL A 78 25.593 -2.707 -1.977 1.00 0.00 C ATOM 1225 O VAL A 78 24.518 -2.167 -2.235 1.00 0.00 O ATOM 1226 CB VAL A 78 25.893 -3.949 0.217 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.994 -2.908 0.897 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.624 -5.290 0.910 1.00 0.00 C ATOM 0 H VAL A 78 27.392 -5.244 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 78 24.658 -4.539 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 78 26.932 -3.636 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.226 -2.867 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.168 -1.929 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.949 -3.187 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.808 -5.190 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.587 -5.583 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.286 -6.052 0.498 1.00 0.00 H new ATOM 1238 N ALA A 79 26.754 -2.171 -2.352 1.00 0.00 N ATOM 1239 CA ALA A 79 26.865 -0.882 -3.017 1.00 0.00 C ATOM 1240 C ALA A 79 26.317 -0.918 -4.451 1.00 0.00 C ATOM 1241 O ALA A 79 25.754 0.071 -4.922 1.00 0.00 O ATOM 1242 CB ALA A 79 28.341 -0.483 -2.970 1.00 0.00 C ATOM 0 H ALA A 79 27.652 -2.629 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 79 26.255 -0.138 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.473 0.482 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.666 -0.411 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.938 -1.236 -3.485 1.00 0.00 H new ATOM 1248 N ALA A 80 26.432 -2.041 -5.162 1.00 0.00 N ATOM 1249 CA ALA A 80 25.854 -2.199 -6.497 1.00 0.00 C ATOM 1250 C ALA A 80 24.319 -2.164 -6.475 1.00 0.00 C ATOM 1251 O ALA A 80 23.716 -1.715 -7.445 1.00 0.00 O ATOM 1252 CB ALA A 80 26.367 -3.512 -7.097 1.00 0.00 C ATOM 0 H ALA A 80 26.929 -2.867 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 80 26.166 -1.358 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.946 -3.646 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.454 -3.481 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.066 -4.345 -6.461 1.00 0.00 H new ATOM 1258 N LEU A 81 23.679 -2.553 -5.364 1.00 0.00 N ATOM 1259 CA LEU A 81 22.213 -2.505 -5.221 1.00 0.00 C ATOM 1260 C LEU A 81 21.723 -1.049 -5.311 1.00 0.00 C ATOM 1261 O LEU A 81 20.841 -0.720 -6.102 1.00 0.00 O ATOM 1262 CB LEU A 81 21.768 -3.120 -3.876 1.00 0.00 C ATOM 1263 CG LEU A 81 22.343 -4.496 -3.504 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.960 -4.848 -2.070 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.871 -5.625 -4.413 1.00 0.00 C ATOM 0 H LEU A 81 24.160 -2.910 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 81 21.774 -3.088 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.029 -2.420 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.681 -3.200 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 81 23.423 -4.408 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.371 -5.824 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.361 -4.095 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.874 -4.876 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.318 -6.565 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.785 -5.703 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.172 -5.415 -5.440 1.00 0.00 H new ATOM 1277 N ILE A 82 22.377 -0.164 -4.547 1.00 0.00 N ATOM 1278 CA ILE A 82 22.096 1.279 -4.517 1.00 0.00 C ATOM 1279 C ILE A 82 22.462 1.912 -5.865 1.00 0.00 C ATOM 1280 O ILE A 82 21.664 2.627 -6.464 1.00 0.00 O ATOM 1281 CB ILE A 82 22.844 1.949 -3.335 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.435 1.312 -1.982 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.570 3.465 -3.319 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.262 1.792 -0.782 1.00 0.00 C ATOM 0 H ILE A 82 23.133 -0.437 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 82 21.030 1.439 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 82 23.913 1.786 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.384 1.530 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.527 0.229 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 82 23.101 3.922 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.915 3.907 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.500 3.640 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.910 1.297 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.312 1.549 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.152 2.871 -0.672 1.00 0.00 H new ATOM 1296 N GLN A 83 23.646 1.609 -6.402 1.00 0.00 N ATOM 1297 CA GLN A 83 24.127 2.225 -7.649 1.00 0.00 C ATOM 1298 C GLN A 83 23.324 1.783 -8.887 1.00 0.00 C ATOM 1299 O GLN A 83 23.226 2.532 -9.859 1.00 0.00 O ATOM 1300 CB GLN A 83 25.627 1.940 -7.803 1.00 0.00 C ATOM 1301 CG GLN A 83 26.422 2.703 -6.732 1.00 0.00 C ATOM 1302 CD GLN A 83 27.892 2.300 -6.691 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.192 1.127 -6.174 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.784 3.029 -7.103 1.00 0.00 N flip ATOM 0 H GLN A 83 24.295 0.937 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 83 23.971 3.302 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.813 0.870 -7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.962 2.238 -8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.348 3.773 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.973 2.523 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.555 3.938 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.757 2.727 -7.045 1.00 0.00 H new ATOM 1313 N THR A 84 22.680 0.613 -8.827 1.00 0.00 N ATOM 1314 CA THR A 84 21.712 0.162 -9.838 1.00 0.00 C ATOM 1315 C THR A 84 20.464 1.047 -9.849 1.00 0.00 C ATOM 1316 O THR A 84 20.061 1.501 -10.918 1.00 0.00 O ATOM 1317 CB THR A 84 21.321 -1.303 -9.604 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.456 -2.120 -9.773 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.303 -1.830 -10.600 1.00 0.00 C ATOM 0 H THR A 84 22.816 -0.056 -8.069 1.00 0.00 H new ATOM 0 HA THR A 84 22.194 0.244 -10.812 1.00 0.00 H new ATOM 0 HB THR A 84 20.899 -1.333 -8.600 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.989 -2.114 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.076 -2.871 -10.371 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.391 -1.237 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.711 -1.761 -11.608 1.00 0.00 H new ATOM 1327 N GLU A 85 19.863 1.358 -8.692 1.00 0.00 N ATOM 1328 CA GLU A 85 18.694 2.249 -8.675 1.00 0.00 C ATOM 1329 C GLU A 85 19.080 3.709 -8.934 1.00 0.00 C ATOM 1330 O GLU A 85 18.321 4.418 -9.581 1.00 0.00 O ATOM 1331 CB GLU A 85 17.853 2.103 -7.395 1.00 0.00 C ATOM 1332 CG GLU A 85 18.556 2.522 -6.098 1.00 0.00 C ATOM 1333 CD GLU A 85 17.538 2.830 -4.984 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.190 1.911 -4.203 1.00 0.00 O ATOM 1335 OE2 GLU A 85 17.108 4.006 -4.874 1.00 0.00 O ATOM 0 H GLU A 85 20.157 1.016 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 85 18.059 1.930 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.946 2.698 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.542 1.062 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.226 1.727 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.172 3.402 -6.284 1.00 0.00 H new ATOM 1342 N GLU A 86 20.271 4.165 -8.533 1.00 0.00 N ATOM 1343 CA GLU A 86 20.695 5.562 -8.712 1.00 0.00 C ATOM 1344 C GLU A 86 20.816 5.987 -10.181 1.00 0.00 C ATOM 1345 O GLU A 86 20.562 7.149 -10.503 1.00 0.00 O ATOM 1346 CB GLU A 86 22.003 5.817 -7.955 1.00 0.00 C ATOM 1347 CG GLU A 86 21.756 5.879 -6.445 1.00 0.00 C ATOM 1348 CD GLU A 86 21.212 7.260 -6.023 1.00 0.00 C ATOM 1349 OE1 GLU A 86 19.992 7.509 -6.196 1.00 0.00 O ATOM 1350 OE2 GLU A 86 22.001 8.101 -5.527 1.00 0.00 O ATOM 0 H GLU A 86 20.969 3.579 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 86 19.904 6.184 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.718 5.025 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.448 6.753 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.046 5.103 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.685 5.674 -5.913 1.00 0.00 H new ATOM 1357 N ALA A 87 21.095 5.043 -11.085 1.00 0.00 N ATOM 1358 CA ALA A 87 20.986 5.266 -12.526 1.00 0.00 C ATOM 1359 C ALA A 87 19.536 5.540 -12.958 1.00 0.00 C ATOM 1360 O ALA A 87 19.275 6.443 -13.744 1.00 0.00 O ATOM 1361 CB ALA A 87 21.527 4.025 -13.239 1.00 0.00 C ATOM 0 H ALA A 87 21.403 4.103 -10.836 1.00 0.00 H new ATOM 0 HA ALA A 87 21.565 6.150 -12.794 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.457 4.166 -14.318 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.569 3.871 -12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.941 3.154 -12.948 1.00 0.00 H new ATOM 1367 N LEU A 88 18.577 4.770 -12.429 1.00 0.00 N ATOM 1368 CA LEU A 88 17.158 4.807 -12.811 1.00 0.00 C ATOM 1369 C LEU A 88 16.382 5.904 -12.071 1.00 0.00 C ATOM 1370 O LEU A 88 15.379 6.413 -12.573 1.00 0.00 O ATOM 1371 CB LEU A 88 16.543 3.414 -12.566 1.00 0.00 C ATOM 1372 CG LEU A 88 17.305 2.216 -13.163 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.509 0.951 -12.915 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.532 2.357 -14.662 1.00 0.00 C ATOM 0 H LEU A 88 18.772 4.083 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 88 17.087 5.057 -13.869 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.457 3.263 -11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.531 3.411 -12.970 1.00 0.00 H new ATOM 0 HG LEU A 88 18.280 2.176 -12.678 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.042 0.098 -13.335 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.380 0.807 -11.842 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.531 1.037 -13.389 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.073 1.486 -15.032 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.571 2.430 -15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.115 3.257 -14.859 1.00 0.00 H new ATOM 1386 N ASN A 89 16.893 6.336 -10.921 1.00 0.00 N ATOM 1387 CA ASN A 89 16.329 7.364 -10.045 1.00 0.00 C ATOM 1388 C ASN A 89 16.220 8.725 -10.734 1.00 0.00 C ATOM 1389 O ASN A 89 15.267 9.464 -10.502 1.00 0.00 O ATOM 1390 CB ASN A 89 17.172 7.416 -8.752 1.00 0.00 C ATOM 1391 CG ASN A 89 16.734 6.404 -7.692 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.645 5.851 -7.716 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.556 6.153 -6.707 1.00 0.00 N ATOM 0 H ASN A 89 17.765 5.956 -10.552 1.00 0.00 H new ATOM 0 HA ASN A 89 15.302 7.100 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.217 7.237 -9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.113 8.419 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.285 5.502 -5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.468 6.608 -6.675 1.00 0.00 H new ATOM 1400 N ARG A 90 17.133 9.014 -11.666 1.00 0.00 N ATOM 1401 CA ARG A 90 17.131 10.227 -12.508 1.00 0.00 C ATOM 1402 C ARG A 90 16.528 10.021 -13.910 1.00 0.00 C ATOM 1403 O ARG A 90 16.266 10.996 -14.608 1.00 0.00 O ATOM 1404 CB ARG A 90 18.577 10.746 -12.596 1.00 0.00 C ATOM 1405 CG ARG A 90 19.220 11.133 -11.248 1.00 0.00 C ATOM 1406 CD ARG A 90 18.444 12.176 -10.430 1.00 0.00 C ATOM 1407 NE ARG A 90 18.271 13.447 -11.166 1.00 0.00 N ATOM 1408 CZ ARG A 90 17.588 14.507 -10.770 1.00 0.00 C ATOM 1409 NH1 ARG A 90 16.961 14.542 -9.627 1.00 0.00 N ATOM 1410 NH2 ARG A 90 17.519 15.566 -11.525 1.00 0.00 N ATOM 0 H ARG A 90 17.919 8.396 -11.866 1.00 0.00 H new ATOM 0 HA ARG A 90 16.478 10.961 -12.036 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.193 9.980 -13.067 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.594 11.617 -13.252 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.332 10.232 -10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.222 11.516 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.465 11.774 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 90 18.971 12.368 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 90 18.727 13.513 -12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.988 13.734 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.444 15.378 -9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.994 15.581 -12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.990 16.381 -11.214 1.00 0.00 H new ATOM 1424 N ARG A 91 16.241 8.767 -14.294 1.00 0.00 N ATOM 1425 CA ARG A 91 15.574 8.408 -15.571 1.00 0.00 C ATOM 1426 C ARG A 91 14.053 8.463 -15.449 1.00 0.00 C ATOM 1427 O ARG A 91 13.385 9.089 -16.264 1.00 0.00 O ATOM 1428 CB ARG A 91 16.000 6.998 -16.017 1.00 0.00 C ATOM 1429 CG ARG A 91 17.467 6.896 -16.451 1.00 0.00 C ATOM 1430 CD ARG A 91 17.871 5.418 -16.628 1.00 0.00 C ATOM 1431 NE ARG A 91 18.297 5.133 -18.015 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.599 4.600 -19.006 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.361 4.214 -18.871 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.147 4.446 -20.176 1.00 0.00 N ATOM 0 H ARG A 91 16.467 7.954 -13.720 1.00 0.00 H new ATOM 0 HA ARG A 91 15.884 9.140 -16.317 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.825 6.301 -15.197 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.365 6.683 -16.845 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.615 7.435 -17.387 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.107 7.369 -15.706 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.682 5.177 -15.941 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.030 4.776 -16.366 1.00 0.00 H new ATOM 0 HE ARG A 91 19.261 5.381 -18.239 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.890 4.317 -17.972 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.864 3.809 -19.664 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.113 4.736 -20.329 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.611 4.036 -20.940 1.00 0.00 H new ATOM 1448 N GLN A 92 13.528 7.785 -14.419 1.00 0.00 N ATOM 1449 CA GLN A 92 12.084 7.532 -14.276 1.00 0.00 C ATOM 1450 C GLN A 92 11.524 7.519 -12.854 1.00 0.00 C ATOM 1451 O GLN A 92 10.410 7.998 -12.654 1.00 0.00 O ATOM 1452 CB GLN A 92 11.728 6.211 -14.983 1.00 0.00 C ATOM 1453 CG GLN A 92 12.625 5.000 -14.642 1.00 0.00 C ATOM 1454 CD GLN A 92 12.085 3.704 -15.246 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.548 3.229 -16.273 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.088 3.090 -14.641 1.00 0.00 N ATOM 0 H GLN A 92 14.090 7.396 -13.662 1.00 0.00 H new ATOM 0 HA GLN A 92 11.608 8.395 -14.741 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.697 5.956 -14.737 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.767 6.376 -16.060 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.634 5.180 -15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.696 4.894 -13.559 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.695 3.478 -13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.710 2.226 -15.030 1.00 0.00 H new ATOM 1465 N ILE A 93 12.257 6.993 -11.862 1.00 0.00 N ATOM 1466 CA ILE A 93 11.692 6.732 -10.515 1.00 0.00 C ATOM 1467 C ILE A 93 11.355 8.047 -9.787 1.00 0.00 C ATOM 1468 O ILE A 93 10.473 8.066 -8.936 1.00 0.00 O ATOM 1469 CB ILE A 93 12.582 5.769 -9.676 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.060 4.553 -10.516 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.810 5.277 -8.439 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.866 3.475 -9.773 1.00 0.00 C ATOM 0 H ILE A 93 13.240 6.738 -11.959 1.00 0.00 H new ATOM 0 HA ILE A 93 10.748 6.203 -10.648 1.00 0.00 H new ATOM 0 HB ILE A 93 13.463 6.326 -9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.184 4.079 -10.958 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.669 4.926 -11.339 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.442 4.604 -7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.528 6.131 -7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.912 4.747 -8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.140 2.682 -10.468 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.769 3.919 -9.355 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.261 3.059 -8.968 1.00 0.00 H new ATOM 1484 N ASN A 94 11.945 9.174 -10.212 1.00 0.00 N ATOM 1485 CA ASN A 94 11.577 10.534 -9.761 1.00 0.00 C ATOM 1486 C ASN A 94 10.063 10.801 -9.824 1.00 0.00 C ATOM 1487 O ASN A 94 9.506 11.368 -8.888 1.00 0.00 O ATOM 1488 CB ASN A 94 12.362 11.623 -10.507 1.00 0.00 C ATOM 1489 CG ASN A 94 12.503 11.377 -11.987 1.00 0.00 C ATOM 1490 OD1 ASN A 94 11.663 11.718 -12.801 1.00 0.00 O ATOM 1491 ND2 ASN A 94 13.564 10.698 -12.348 1.00 0.00 N ATOM 0 H ASN A 94 12.706 9.171 -10.891 1.00 0.00 H new ATOM 0 HA ASN A 94 11.860 10.580 -8.709 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.866 12.582 -10.355 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.356 11.705 -10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.699 10.445 -13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.255 10.423 -11.650 1.00 0.00 H new ATOM 1498 N GLN A 95 9.387 10.320 -10.871 1.00 0.00 N ATOM 1499 CA GLN A 95 7.933 10.462 -11.046 1.00 0.00 C ATOM 1500 C GLN A 95 7.143 9.819 -9.890 1.00 0.00 C ATOM 1501 O GLN A 95 6.156 10.388 -9.418 1.00 0.00 O ATOM 1502 CB GLN A 95 7.516 9.807 -12.372 1.00 0.00 C ATOM 1503 CG GLN A 95 8.192 10.426 -13.608 1.00 0.00 C ATOM 1504 CD GLN A 95 7.907 9.613 -14.867 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.186 10.020 -15.769 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.466 8.425 -14.959 1.00 0.00 N ATOM 0 H GLN A 95 9.838 9.814 -11.633 1.00 0.00 H new ATOM 0 HA GLN A 95 7.702 11.527 -11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.755 8.744 -12.333 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.435 9.887 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.837 11.447 -13.745 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.268 10.482 -13.446 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.067 8.085 -14.208 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.298 7.845 -15.781 1.00 0.00 H new ATOM 1515 N ALA A 96 7.608 8.661 -9.402 1.00 0.00 N ATOM 1516 CA ALA A 96 6.988 7.943 -8.291 1.00 0.00 C ATOM 1517 C ALA A 96 7.385 8.536 -6.924 1.00 0.00 C ATOM 1518 O ALA A 96 6.506 8.895 -6.137 1.00 0.00 O ATOM 1519 CB ALA A 96 7.341 6.456 -8.404 1.00 0.00 C ATOM 0 H ALA A 96 8.435 8.195 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 96 5.906 8.055 -8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.883 5.910 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.968 6.064 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.423 6.335 -8.363 1.00 0.00 H new ATOM 1525 N LEU A 97 8.691 8.724 -6.674 1.00 0.00 N ATOM 1526 CA LEU A 97 9.206 9.181 -5.369 1.00 0.00 C ATOM 1527 C LEU A 97 8.805 10.621 -4.990 1.00 0.00 C ATOM 1528 O LEU A 97 8.807 10.985 -3.813 1.00 0.00 O ATOM 1529 CB LEU A 97 10.726 8.945 -5.290 1.00 0.00 C ATOM 1530 CG LEU A 97 11.604 9.695 -6.311 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.984 11.108 -5.858 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.910 8.937 -6.567 1.00 0.00 C ATOM 0 H LEU A 97 9.420 8.564 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 97 8.717 8.572 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.060 9.220 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.910 7.877 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 97 10.997 9.762 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.602 11.581 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.080 11.697 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.542 11.053 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.513 9.485 -7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.463 8.840 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.684 7.946 -6.960 1.00 0.00 H new ATOM 1544 N LEU A 98 8.432 11.425 -5.989 1.00 0.00 N ATOM 1545 CA LEU A 98 7.840 12.762 -5.833 1.00 0.00 C ATOM 1546 C LEU A 98 6.430 12.744 -5.189 1.00 0.00 C ATOM 1547 O LEU A 98 5.997 13.762 -4.643 1.00 0.00 O ATOM 1548 CB LEU A 98 7.829 13.425 -7.226 1.00 0.00 C ATOM 1549 CG LEU A 98 7.263 14.855 -7.308 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.070 15.850 -6.470 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.286 15.328 -8.763 1.00 0.00 C ATOM 0 H LEU A 98 8.537 11.155 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 98 8.445 13.340 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.852 13.442 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.252 12.792 -7.900 1.00 0.00 H new ATOM 0 HG LEU A 98 6.246 14.821 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.631 16.843 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.055 15.541 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.100 15.875 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.886 16.340 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.312 15.321 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.677 14.660 -9.372 1.00 0.00 H new ATOM 1563 N SER A 99 5.724 11.606 -5.218 1.00 0.00 N ATOM 1564 CA SER A 99 4.357 11.429 -4.685 1.00 0.00 C ATOM 1565 C SER A 99 3.297 12.355 -5.321 1.00 0.00 C ATOM 1566 O SER A 99 2.408 12.868 -4.634 1.00 0.00 O ATOM 1567 CB SER A 99 4.337 11.477 -3.145 1.00 0.00 C ATOM 1568 OG SER A 99 5.280 10.573 -2.582 1.00 0.00 O ATOM 0 H SER A 99 6.098 10.750 -5.627 1.00 0.00 H new ATOM 0 HA SER A 99 4.055 10.426 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.557 12.490 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.338 11.232 -2.785 1.00 0.00 H new ATOM 0 HG SER A 99 5.243 10.629 -1.604 1.00 0.00 H new ATOM 1574 N THR A 100 3.373 12.551 -6.646 1.00 0.00 N ATOM 1575 CA THR A 100 2.476 13.418 -7.440 1.00 0.00 C ATOM 1576 C THR A 100 2.046 12.668 -8.707 1.00 0.00 C ATOM 1577 O THR A 100 2.561 12.894 -9.804 1.00 0.00 O ATOM 1578 CB THR A 100 3.125 14.786 -7.750 1.00 0.00 C ATOM 1579 OG1 THR A 100 3.536 15.418 -6.551 1.00 0.00 O ATOM 1580 CG2 THR A 100 2.145 15.760 -8.417 1.00 0.00 C ATOM 0 H THR A 100 4.084 12.096 -7.218 1.00 0.00 H new ATOM 0 HA THR A 100 1.585 13.645 -6.855 1.00 0.00 H new ATOM 0 HB THR A 100 3.961 14.573 -8.416 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.947 16.283 -6.761 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.650 16.706 -8.614 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.792 15.335 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.296 15.933 -7.755 1.00 0.00 H new ATOM 1588 N GLY A 101 1.120 11.721 -8.524 1.00 0.00 N ATOM 1589 CA GLY A 101 0.486 10.927 -9.593 1.00 0.00 C ATOM 1590 C GLY A 101 0.620 9.403 -9.460 1.00 0.00 C ATOM 1591 O GLY A 101 0.038 8.663 -10.256 1.00 0.00 O ATOM 0 H GLY A 101 0.776 11.474 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.574 11.178 -9.627 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.916 11.229 -10.548 1.00 0.00 H new ATOM 1595 N ASP A 102 1.349 8.928 -8.448 1.00 0.00 N ATOM 1596 CA ASP A 102 1.553 7.508 -8.119 1.00 0.00 C ATOM 1597 C ASP A 102 1.359 7.226 -6.616 1.00 0.00 C ATOM 1598 O ASP A 102 1.333 8.145 -5.789 1.00 0.00 O ATOM 1599 CB ASP A 102 2.960 7.070 -8.552 1.00 0.00 C ATOM 1600 CG ASP A 102 3.092 6.979 -10.083 1.00 0.00 C ATOM 1601 OD1 ASP A 102 2.583 5.992 -10.669 1.00 0.00 O ATOM 1602 OD2 ASP A 102 3.727 7.866 -10.702 1.00 0.00 O ATOM 0 H ASP A 102 1.838 9.549 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 102 0.801 6.935 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.694 7.777 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.189 6.100 -8.110 1.00 0.00 H new ATOM 1607 N LEU A 103 1.245 5.939 -6.263 1.00 0.00 N ATOM 1608 CA LEU A 103 1.195 5.472 -4.873 1.00 0.00 C ATOM 1609 C LEU A 103 2.490 5.771 -4.088 1.00 0.00 C ATOM 1610 O LEU A 103 3.567 5.937 -4.666 1.00 0.00 O ATOM 1611 CB LEU A 103 0.816 3.975 -4.826 1.00 0.00 C ATOM 1612 CG LEU A 103 1.978 2.960 -4.923 1.00 0.00 C ATOM 1613 CD1 LEU A 103 1.432 1.544 -4.743 1.00 0.00 C ATOM 1614 CD2 LEU A 103 2.706 3.014 -6.264 1.00 0.00 C ATOM 0 H LEU A 103 1.184 5.183 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 103 0.415 6.040 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.279 3.789 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.121 3.775 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 103 2.688 3.224 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.250 0.827 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.956 1.459 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.700 1.334 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.511 2.279 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.004 2.792 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.123 4.010 -6.412 1.00 0.00 H new ATOM 1626 N ALA A 104 2.378 5.780 -2.756 1.00 0.00 N ATOM 1627 CA ALA A 104 3.499 6.047 -1.848 1.00 0.00 C ATOM 1628 C ALA A 104 3.421 5.277 -0.505 1.00 0.00 C ATOM 1629 O ALA A 104 3.914 5.743 0.526 1.00 0.00 O ATOM 1630 CB ALA A 104 3.610 7.570 -1.675 1.00 0.00 C ATOM 0 H ALA A 104 1.498 5.600 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 104 4.416 5.661 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.437 7.801 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.790 8.034 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.682 7.957 -1.254 1.00 0.00 H new ATOM 1636 N HIS A 105 2.770 4.104 -0.499 1.00 0.00 N ATOM 1637 CA HIS A 105 2.474 3.338 0.725 1.00 0.00 C ATOM 1638 C HIS A 105 3.682 2.548 1.261 1.00 0.00 C ATOM 1639 O HIS A 105 3.980 2.604 2.456 1.00 0.00 O ATOM 1640 CB HIS A 105 1.277 2.412 0.455 1.00 0.00 C ATOM 1641 CG HIS A 105 0.870 1.582 1.650 1.00 0.00 C ATOM 1642 ND1 HIS A 105 0.268 2.071 2.815 1.00 0.00 N ATOM 1643 CD2 HIS A 105 1.034 0.233 1.771 1.00 0.00 C ATOM 1644 CE1 HIS A 105 0.088 1.001 3.611 1.00 0.00 C ATOM 1645 NE2 HIS A 105 0.538 -0.114 3.009 1.00 0.00 N ATOM 0 H HIS A 105 2.431 3.655 -1.350 1.00 0.00 H new ATOM 0 HA HIS A 105 2.227 4.051 1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 105 0.427 3.015 0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 105 1.523 1.746 -0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.468 -0.433 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.356 1.033 4.595 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.516 -1.055 3.401 1.00 0.00 H new ATOM 1653 N ASP A 106 4.381 1.821 0.382 1.00 0.00 N ATOM 1654 CA ASP A 106 5.439 0.859 0.736 1.00 0.00 C ATOM 1655 C ASP A 106 6.561 0.766 -0.328 1.00 0.00 C ATOM 1656 O ASP A 106 7.095 -0.309 -0.610 1.00 0.00 O ATOM 1657 CB ASP A 106 4.816 -0.509 1.082 1.00 0.00 C ATOM 1658 CG ASP A 106 4.265 -1.304 -0.124 1.00 0.00 C ATOM 1659 OD1 ASP A 106 4.414 -2.552 -0.127 1.00 0.00 O ATOM 1660 OD2 ASP A 106 3.630 -0.716 -1.033 1.00 0.00 O ATOM 0 H ASP A 106 4.224 1.885 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 106 5.944 1.232 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 106 5.569 -1.117 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 106 4.006 -0.352 1.794 1.00 0.00 H new ATOM 1665 N GLU A 107 6.919 1.905 -0.935 1.00 0.00 N ATOM 1666 CA GLU A 107 7.906 1.991 -2.029 1.00 0.00 C ATOM 1667 C GLU A 107 9.307 1.469 -1.646 1.00 0.00 C ATOM 1668 O GLU A 107 9.950 0.776 -2.443 1.00 0.00 O ATOM 1669 CB GLU A 107 8.063 3.451 -2.475 1.00 0.00 C ATOM 1670 CG GLU A 107 6.795 4.109 -3.021 1.00 0.00 C ATOM 1671 CD GLU A 107 7.126 5.568 -3.401 1.00 0.00 C ATOM 1672 OE1 GLU A 107 7.449 5.837 -4.583 1.00 0.00 O ATOM 1673 OE2 GLU A 107 7.099 6.444 -2.500 1.00 0.00 O ATOM 0 H GLU A 107 6.526 2.811 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 107 7.517 1.358 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.420 4.036 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.836 3.498 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.430 3.564 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.002 4.083 -2.273 1.00 0.00 H new ATOM 1680 N PHE A 108 9.766 1.802 -0.429 1.00 0.00 N ATOM 1681 CA PHE A 108 11.116 1.541 0.093 1.00 0.00 C ATOM 1682 C PHE A 108 11.095 1.205 1.599 1.00 0.00 C ATOM 1683 O PHE A 108 11.809 0.259 2.010 1.00 0.00 O ATOM 1684 CB PHE A 108 12.023 2.757 -0.179 1.00 0.00 C ATOM 1685 CG PHE A 108 12.208 3.126 -1.644 1.00 0.00 C ATOM 1686 CD1 PHE A 108 11.454 4.171 -2.217 1.00 0.00 C ATOM 1687 CD2 PHE A 108 13.143 2.433 -2.437 1.00 0.00 C ATOM 1688 CE1 PHE A 108 11.634 4.519 -3.568 1.00 0.00 C ATOM 1689 CE2 PHE A 108 13.327 2.783 -3.788 1.00 0.00 C ATOM 1690 CZ PHE A 108 12.574 3.828 -4.353 1.00 0.00 C ATOM 0 H PHE A 108 9.177 2.284 0.250 1.00 0.00 H new ATOM 0 HA PHE A 108 11.516 0.669 -0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 108 11.611 3.619 0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 108 13.004 2.560 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 108 10.735 4.707 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 108 13.722 1.629 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 108 11.050 5.317 -4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 108 14.047 2.249 -4.391 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.718 4.099 -5.388 1.00 0.00 H new TER 1700 PHE A 108