USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 MET CE :methyl -134:sc= -0.956 (180deg=-1.83!) USER MOD Set 1.2: A 72 GLN : amide:sc= -1.49 K(o=-2.4,f=-6.9!) USER MOD Set 2.1: A 27 CYS SG : rot -5:sc= 0.0504 USER MOD Set 2.2: A 30 SER OG : rot -55:sc= 1.27 USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.216) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0138 (180deg=-0.248) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc=-0.00872 (180deg=-0.186) USER MOD Single : A 6 SER OG : rot -151:sc= 0.0329 USER MOD Single : A 7 SER OG : rot -110:sc= -9.47! USER MOD Single : A 19 THR OG1 : rot -150:sc= 0 USER MOD Single : A 21 MET CE :methyl 163:sc= -6.29! (180deg=-7.82!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -4.99! C(o=-5!,f=-5.9!) USER MOD Single : A 56 GLN : amide:sc= 0.213 K(o=0.21,f=-0.38) USER MOD Single : A 57 CYS SG : rot 78:sc= -0.484! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 50:sc= -1.79! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 82 SER OG : rot 180:sc= -0.142 USER MOD Single : A 83 MET CE :methyl -164:sc= -4.3! (180deg=-4.53!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.855 2.018 9.591 1.00 0.00 N ATOM 2 CA MET A 1 13.772 2.392 8.534 1.00 0.00 C ATOM 3 C MET A 1 13.552 1.503 7.318 1.00 0.00 C ATOM 4 O MET A 1 14.522 1.171 6.639 1.00 0.00 O ATOM 5 CB MET A 1 15.206 2.268 9.040 1.00 0.00 C ATOM 6 CG MET A 1 15.640 3.591 9.666 1.00 0.00 C ATOM 7 SD MET A 1 17.385 3.639 10.146 1.00 0.00 S ATOM 8 CE MET A 1 17.515 5.389 10.589 1.00 0.00 C ATOM 0 H1 MET A 1 13.159 2.454 10.485 1.00 0.00 H new ATOM 0 H2 MET A 1 11.898 2.348 9.353 1.00 0.00 H new ATOM 0 H3 MET A 1 12.849 0.983 9.695 1.00 0.00 H new ATOM 0 HA MET A 1 13.590 3.426 8.240 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.276 1.466 9.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.872 2.007 8.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.446 4.397 8.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.026 3.784 10.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.532 5.608 10.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.271 6.003 9.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.820 5.612 11.399 1.00 0.00 H new ATOM 20 N LEU A 2 12.302 1.140 7.069 1.00 0.00 N ATOM 21 CA LEU A 2 11.981 0.293 5.933 1.00 0.00 C ATOM 22 C LEU A 2 11.427 1.156 4.798 1.00 0.00 C ATOM 23 O LEU A 2 10.693 2.113 5.043 1.00 0.00 O ATOM 24 CB LEU A 2 11.044 -0.841 6.357 1.00 0.00 C ATOM 25 CG LEU A 2 11.709 -2.189 6.639 1.00 0.00 C ATOM 26 CD1 LEU A 2 11.975 -2.367 8.135 1.00 0.00 C ATOM 27 CD2 LEU A 2 10.881 -3.340 6.064 1.00 0.00 C ATOM 0 H LEU A 2 11.500 1.417 7.635 1.00 0.00 H new ATOM 0 HA LEU A 2 12.881 -0.192 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.509 -0.528 7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.299 -0.982 5.574 1.00 0.00 H new ATOM 0 HG LEU A 2 12.676 -2.204 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.448 -3.334 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.634 -1.572 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.032 -2.322 8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.376 -4.287 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.890 -3.338 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.786 -3.216 4.985 1.00 0.00 H new ATOM 39 N VAL A 3 11.798 0.788 3.581 1.00 0.00 N ATOM 40 CA VAL A 3 11.347 1.517 2.407 1.00 0.00 C ATOM 41 C VAL A 3 11.029 0.525 1.287 1.00 0.00 C ATOM 42 O VAL A 3 11.628 -0.547 1.214 1.00 0.00 O ATOM 43 CB VAL A 3 12.392 2.560 2.006 1.00 0.00 C ATOM 44 CG1 VAL A 3 12.032 3.208 0.667 1.00 0.00 C ATOM 45 CG2 VAL A 3 12.561 3.616 3.099 1.00 0.00 C ATOM 0 H VAL A 3 12.406 -0.006 3.382 1.00 0.00 H new ATOM 0 HA VAL A 3 10.430 2.064 2.625 1.00 0.00 H new ATOM 0 HB VAL A 3 13.347 2.049 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.790 3.946 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 3 11.987 2.442 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.062 3.698 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.309 4.345 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.610 4.121 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 3 12.884 3.135 4.022 1.00 0.00 H new ATOM 55 N ALA A 4 10.088 0.919 0.441 1.00 0.00 N ATOM 56 CA ALA A 4 9.685 0.077 -0.672 1.00 0.00 C ATOM 57 C ALA A 4 8.562 -0.857 -0.220 1.00 0.00 C ATOM 58 O ALA A 4 8.797 -2.038 0.035 1.00 0.00 O ATOM 59 CB ALA A 4 10.901 -0.686 -1.203 1.00 0.00 C ATOM 0 H ALA A 4 9.594 1.809 0.504 1.00 0.00 H new ATOM 0 HA ALA A 4 9.299 0.684 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.598 -1.318 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.657 0.023 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.315 -1.308 -0.409 1.00 0.00 H new ATOM 65 N LYS A 5 7.365 -0.295 -0.133 1.00 0.00 N ATOM 66 CA LYS A 5 6.206 -1.063 0.285 1.00 0.00 C ATOM 67 C LYS A 5 5.527 -1.665 -0.947 1.00 0.00 C ATOM 68 O LYS A 5 5.928 -1.391 -2.077 1.00 0.00 O ATOM 69 CB LYS A 5 5.274 -0.204 1.142 1.00 0.00 C ATOM 70 CG LYS A 5 5.828 -0.041 2.559 1.00 0.00 C ATOM 71 CD LYS A 5 5.153 -1.015 3.527 1.00 0.00 C ATOM 72 CE LYS A 5 5.580 -0.737 4.970 1.00 0.00 C ATOM 73 NZ LYS A 5 4.977 0.524 5.456 1.00 0.00 N ATOM 0 H LYS A 5 7.174 0.684 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 5 6.510 -1.895 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.150 0.776 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.286 -0.663 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.904 -0.214 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.671 0.983 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.070 -0.927 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.412 -2.039 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.275 -1.564 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.667 -0.673 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.061 0.572 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.473 1.333 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.973 0.554 5.188 1.00 0.00 H new ATOM 87 N SER A 6 4.509 -2.473 -0.688 1.00 0.00 N ATOM 88 CA SER A 6 3.771 -3.115 -1.761 1.00 0.00 C ATOM 89 C SER A 6 2.316 -3.331 -1.340 1.00 0.00 C ATOM 90 O SER A 6 2.050 -3.881 -0.272 1.00 0.00 O ATOM 91 CB SER A 6 4.413 -4.448 -2.152 1.00 0.00 C ATOM 92 OG SER A 6 5.505 -4.785 -1.299 1.00 0.00 O ATOM 0 H SER A 6 4.178 -2.697 0.250 1.00 0.00 H new ATOM 0 HA SER A 6 3.798 -2.460 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.663 -5.238 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.762 -4.394 -3.183 1.00 0.00 H new ATOM 0 HG SER A 6 6.152 -5.328 -1.795 1.00 0.00 H new ATOM 98 N SER A 7 1.412 -2.887 -2.200 1.00 0.00 N ATOM 99 CA SER A 7 -0.009 -3.025 -1.930 1.00 0.00 C ATOM 100 C SER A 7 -0.589 -4.176 -2.754 1.00 0.00 C ATOM 101 O SER A 7 -0.943 -3.994 -3.919 1.00 0.00 O ATOM 102 CB SER A 7 -0.756 -1.725 -2.235 1.00 0.00 C ATOM 103 OG SER A 7 0.132 -0.671 -2.595 1.00 0.00 O ATOM 0 H SER A 7 1.636 -2.431 -3.085 1.00 0.00 H new ATOM 0 HA SER A 7 -0.136 -3.246 -0.870 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.464 -1.895 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.337 -1.427 -1.362 1.00 0.00 H new ATOM 0 HG SER A 7 0.152 -0.001 -1.880 1.00 0.00 H new ATOM 109 N ILE A 8 -0.670 -5.335 -2.119 1.00 0.00 N ATOM 110 CA ILE A 8 -1.200 -6.516 -2.779 1.00 0.00 C ATOM 111 C ILE A 8 -2.726 -6.516 -2.664 1.00 0.00 C ATOM 112 O ILE A 8 -3.275 -6.114 -1.639 1.00 0.00 O ATOM 113 CB ILE A 8 -0.543 -7.782 -2.226 1.00 0.00 C ATOM 114 CG1 ILE A 8 0.957 -7.798 -2.532 1.00 0.00 C ATOM 115 CG2 ILE A 8 -1.246 -9.037 -2.742 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.779 -7.636 -1.252 1.00 0.00 C ATOM 0 H ILE A 8 -0.377 -5.482 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.958 -6.498 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.652 -7.777 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.222 -8.735 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.199 -6.994 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.758 -9.922 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.291 -9.023 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.191 -9.063 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.841 -7.651 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.529 -6.687 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.553 -8.454 -0.569 1.00 0.00 H new ATOM 128 N LEU A 9 -3.368 -6.972 -3.731 1.00 0.00 N ATOM 129 CA LEU A 9 -4.819 -7.030 -3.763 1.00 0.00 C ATOM 130 C LEU A 9 -5.264 -8.487 -3.895 1.00 0.00 C ATOM 131 O LEU A 9 -5.259 -9.044 -4.992 1.00 0.00 O ATOM 132 CB LEU A 9 -5.368 -6.116 -4.860 1.00 0.00 C ATOM 133 CG LEU A 9 -6.892 -6.010 -4.945 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.461 -5.299 -3.715 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.323 -5.336 -6.249 1.00 0.00 C ATOM 0 H LEU A 9 -2.909 -7.304 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.236 -6.653 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.962 -5.116 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.994 -6.470 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.305 -7.019 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.546 -5.237 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.199 -5.859 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.044 -4.294 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.411 -5.273 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.900 -4.333 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.966 -5.921 -7.096 1.00 0.00 H new ATOM 147 N LEU A 10 -5.640 -9.064 -2.763 1.00 0.00 N ATOM 148 CA LEU A 10 -6.088 -10.446 -2.740 1.00 0.00 C ATOM 149 C LEU A 10 -7.599 -10.492 -2.975 1.00 0.00 C ATOM 150 O LEU A 10 -8.356 -9.779 -2.318 1.00 0.00 O ATOM 151 CB LEU A 10 -5.647 -11.130 -1.444 1.00 0.00 C ATOM 152 CG LEU A 10 -4.185 -10.925 -1.042 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.955 -9.506 -0.516 1.00 0.00 C ATOM 154 CD2 LEU A 10 -3.739 -11.987 -0.035 1.00 0.00 C ATOM 0 H LEU A 10 -5.644 -8.599 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.622 -11.011 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.280 -10.770 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.830 -12.200 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.567 -11.044 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.908 -9.387 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.208 -8.785 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.585 -9.335 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.696 -11.818 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.359 -11.924 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.843 -12.977 -0.480 1.00 0.00 H new ATOM 166 N ASP A 11 -7.992 -11.338 -3.916 1.00 0.00 N ATOM 167 CA ASP A 11 -9.400 -11.488 -4.246 1.00 0.00 C ATOM 168 C ASP A 11 -9.931 -12.781 -3.626 1.00 0.00 C ATOM 169 O ASP A 11 -9.767 -13.860 -4.194 1.00 0.00 O ATOM 170 CB ASP A 11 -9.604 -11.570 -5.760 1.00 0.00 C ATOM 171 CG ASP A 11 -10.992 -11.150 -6.250 1.00 0.00 C ATOM 172 OD1 ASP A 11 -12.019 -11.613 -5.731 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.993 -10.301 -7.220 1.00 0.00 O ATOM 0 H ASP A 11 -7.361 -11.926 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.932 -10.620 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.858 -10.941 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.416 -12.594 -6.082 1.00 0.00 H new ATOM 178 N VAL A 12 -10.558 -12.631 -2.469 1.00 0.00 N ATOM 179 CA VAL A 12 -11.115 -13.774 -1.765 1.00 0.00 C ATOM 180 C VAL A 12 -12.513 -14.072 -2.310 1.00 0.00 C ATOM 181 O VAL A 12 -13.207 -13.169 -2.775 1.00 0.00 O ATOM 182 CB VAL A 12 -11.103 -13.517 -0.257 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.680 -14.710 0.507 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.692 -13.183 0.231 1.00 0.00 C ATOM 0 H VAL A 12 -10.693 -11.735 -2.001 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.505 -14.661 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.739 -12.654 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.660 -14.501 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.709 -14.882 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.083 -15.598 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.712 -13.005 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.025 -14.017 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.333 -12.289 -0.279 1.00 0.00 H new ATOM 194 N LYS A 13 -12.885 -15.341 -2.235 1.00 0.00 N ATOM 195 CA LYS A 13 -14.188 -15.769 -2.715 1.00 0.00 C ATOM 196 C LYS A 13 -14.941 -16.466 -1.580 1.00 0.00 C ATOM 197 O LYS A 13 -14.420 -17.394 -0.964 1.00 0.00 O ATOM 198 CB LYS A 13 -14.041 -16.626 -3.974 1.00 0.00 C ATOM 199 CG LYS A 13 -15.108 -16.267 -5.010 1.00 0.00 C ATOM 200 CD LYS A 13 -14.471 -15.682 -6.272 1.00 0.00 C ATOM 201 CE LYS A 13 -15.518 -15.477 -7.370 1.00 0.00 C ATOM 202 NZ LYS A 13 -15.071 -16.102 -8.635 1.00 0.00 N ATOM 0 H LYS A 13 -12.307 -16.087 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.786 -14.908 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.049 -16.481 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.124 -17.681 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.684 -17.156 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.807 -15.547 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.995 -14.730 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.688 -16.349 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.469 -15.910 -7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.688 -14.411 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.792 -15.954 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.175 -15.670 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.931 -17.122 -8.488 1.00 0.00 H new ATOM 216 N PRO A 14 -16.187 -15.980 -1.332 1.00 0.00 N ATOM 217 CA PRO A 14 -17.016 -16.546 -0.282 1.00 0.00 C ATOM 218 C PRO A 14 -17.592 -17.898 -0.709 1.00 0.00 C ATOM 219 O PRO A 14 -17.918 -18.097 -1.878 1.00 0.00 O ATOM 220 CB PRO A 14 -18.088 -15.501 -0.021 1.00 0.00 C ATOM 221 CG PRO A 14 -18.098 -14.598 -1.244 1.00 0.00 C ATOM 222 CD PRO A 14 -16.836 -14.882 -2.043 1.00 0.00 C ATOM 0 HA PRO A 14 -16.455 -16.759 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.061 -15.969 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.867 -14.932 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.984 -14.786 -1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.133 -13.550 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.072 -15.160 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.191 -14.005 -2.090 1.00 0.00 H new ATOM 230 N TRP A 15 -17.698 -18.793 0.264 1.00 0.00 N ATOM 231 CA TRP A 15 -18.229 -20.121 0.004 1.00 0.00 C ATOM 232 C TRP A 15 -19.638 -19.963 -0.570 1.00 0.00 C ATOM 233 O TRP A 15 -20.104 -20.815 -1.324 1.00 0.00 O ATOM 234 CB TRP A 15 -18.191 -20.982 1.267 1.00 0.00 C ATOM 235 CG TRP A 15 -16.977 -21.910 1.352 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.096 -22.027 2.355 1.00 0.00 C ATOM 237 CD2 TRP A 15 -16.542 -22.851 0.347 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.130 -22.971 2.073 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.410 -23.488 0.813 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.088 -23.154 -0.912 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -14.727 -24.468 0.083 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.394 -24.136 -1.629 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.253 -24.786 -1.175 1.00 0.00 C ATOM 0 H TRP A 15 -17.425 -18.624 1.232 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.613 -20.647 -0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.198 -20.329 2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.099 -21.583 1.312 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.137 -21.454 3.270 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.354 -23.240 2.677 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.973 -22.668 -1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -13.842 -24.952 0.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.772 -24.407 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.774 -25.533 -1.790 1.00 0.00 H new ATOM 254 N ASP A 16 -20.277 -18.865 -0.191 1.00 0.00 N ATOM 255 CA ASP A 16 -21.624 -18.585 -0.659 1.00 0.00 C ATOM 256 C ASP A 16 -22.087 -17.241 -0.092 1.00 0.00 C ATOM 257 O ASP A 16 -21.324 -16.553 0.584 1.00 0.00 O ATOM 258 CB ASP A 16 -22.606 -19.660 -0.187 1.00 0.00 C ATOM 259 CG ASP A 16 -23.589 -20.149 -1.252 1.00 0.00 C ATOM 260 OD1 ASP A 16 -23.840 -19.462 -2.254 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.115 -21.305 -1.020 1.00 0.00 O ATOM 0 H ASP A 16 -19.887 -18.160 0.434 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.605 -18.567 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.037 -20.514 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.173 -19.267 0.657 1.00 0.00 H new ATOM 266 N ASP A 17 -23.334 -16.907 -0.390 1.00 0.00 N ATOM 267 CA ASP A 17 -23.907 -15.658 0.082 1.00 0.00 C ATOM 268 C ASP A 17 -24.058 -15.714 1.603 1.00 0.00 C ATOM 269 O ASP A 17 -24.147 -14.676 2.260 1.00 0.00 O ATOM 270 CB ASP A 17 -25.293 -15.425 -0.524 1.00 0.00 C ATOM 271 CG ASP A 17 -26.463 -15.890 0.344 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.890 -15.188 1.272 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.950 -17.043 0.030 1.00 0.00 O ATOM 0 H ASP A 17 -23.964 -17.480 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.242 -14.847 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.411 -14.360 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.345 -15.939 -1.484 1.00 0.00 H new ATOM 278 N GLU A 18 -24.085 -16.933 2.119 1.00 0.00 N ATOM 279 CA GLU A 18 -24.224 -17.137 3.552 1.00 0.00 C ATOM 280 C GLU A 18 -22.993 -16.603 4.285 1.00 0.00 C ATOM 281 O GLU A 18 -23.064 -16.277 5.469 1.00 0.00 O ATOM 282 CB GLU A 18 -24.458 -18.614 3.874 1.00 0.00 C ATOM 283 CG GLU A 18 -23.133 -19.376 3.942 1.00 0.00 C ATOM 284 CD GLU A 18 -23.372 -20.885 4.038 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.412 -21.378 3.575 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.431 -21.551 4.616 1.00 0.00 O ATOM 0 H GLU A 18 -24.013 -17.790 1.571 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.096 -16.582 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.983 -18.704 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.099 -19.059 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.536 -19.154 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.560 -19.039 4.806 1.00 0.00 H new ATOM 293 N THR A 19 -21.891 -16.530 3.553 1.00 0.00 N ATOM 294 CA THR A 19 -20.646 -16.042 4.120 1.00 0.00 C ATOM 295 C THR A 19 -20.768 -14.559 4.478 1.00 0.00 C ATOM 296 O THR A 19 -20.839 -13.707 3.594 1.00 0.00 O ATOM 297 CB THR A 19 -19.524 -16.333 3.121 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.238 -17.715 3.315 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.217 -15.628 3.485 1.00 0.00 C ATOM 0 H THR A 19 -21.835 -16.801 2.571 1.00 0.00 H new ATOM 0 HA THR A 19 -20.411 -16.553 5.054 1.00 0.00 H new ATOM 0 HB THR A 19 -19.837 -16.023 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.294 -17.885 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.455 -15.869 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.378 -14.550 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.885 -15.962 4.468 1.00 0.00 H new ATOM 307 N ASP A 20 -20.791 -14.297 5.778 1.00 0.00 N ATOM 308 CA ASP A 20 -20.905 -12.932 6.264 1.00 0.00 C ATOM 309 C ASP A 20 -19.821 -12.072 5.613 1.00 0.00 C ATOM 310 O ASP A 20 -18.689 -12.023 6.094 1.00 0.00 O ATOM 311 CB ASP A 20 -20.711 -12.871 7.779 1.00 0.00 C ATOM 312 CG ASP A 20 -21.893 -12.292 8.559 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.694 -11.513 8.022 1.00 0.00 O ATOM 314 OD2 ASP A 20 -21.977 -12.679 9.788 1.00 0.00 O ATOM 0 H ASP A 20 -20.733 -15.007 6.508 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.900 -12.565 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.511 -13.878 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.826 -12.272 7.993 1.00 0.00 H new ATOM 319 N MET A 21 -20.203 -11.415 4.528 1.00 0.00 N ATOM 320 CA MET A 21 -19.278 -10.559 3.805 1.00 0.00 C ATOM 321 C MET A 21 -18.801 -9.401 4.685 1.00 0.00 C ATOM 322 O MET A 21 -17.682 -8.915 4.527 1.00 0.00 O ATOM 323 CB MET A 21 -19.964 -10.002 2.557 1.00 0.00 C ATOM 324 CG MET A 21 -20.438 -11.132 1.642 1.00 0.00 C ATOM 325 SD MET A 21 -19.037 -11.899 0.843 1.00 0.00 S ATOM 326 CE MET A 21 -19.173 -11.174 -0.783 1.00 0.00 C ATOM 0 H MET A 21 -21.142 -11.458 4.132 1.00 0.00 H new ATOM 0 HA MET A 21 -18.411 -11.155 3.518 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.814 -9.385 2.849 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.273 -9.356 2.015 1.00 0.00 H new ATOM 0 HG2 MET A 21 -20.988 -11.874 2.221 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.125 -10.740 0.892 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.230 -11.297 -1.316 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.970 -11.670 -1.337 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.402 -10.112 -0.690 1.00 0.00 H new ATOM 336 N ALA A 22 -19.676 -8.992 5.594 1.00 0.00 N ATOM 337 CA ALA A 22 -19.358 -7.900 6.498 1.00 0.00 C ATOM 338 C ALA A 22 -18.270 -8.352 7.475 1.00 0.00 C ATOM 339 O ALA A 22 -17.359 -7.588 7.792 1.00 0.00 O ATOM 340 CB ALA A 22 -20.631 -7.445 7.215 1.00 0.00 C ATOM 0 H ALA A 22 -20.603 -9.397 5.723 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.970 -7.045 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.393 -6.626 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.362 -7.107 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.046 -8.278 7.783 1.00 0.00 H new ATOM 346 N LYS A 23 -18.400 -9.592 7.923 1.00 0.00 N ATOM 347 CA LYS A 23 -17.439 -10.155 8.857 1.00 0.00 C ATOM 348 C LYS A 23 -16.125 -10.434 8.123 1.00 0.00 C ATOM 349 O LYS A 23 -15.060 -10.014 8.570 1.00 0.00 O ATOM 350 CB LYS A 23 -18.026 -11.383 9.555 1.00 0.00 C ATOM 351 CG LYS A 23 -17.464 -11.530 10.971 1.00 0.00 C ATOM 352 CD LYS A 23 -18.560 -11.328 12.019 1.00 0.00 C ATOM 353 CE LYS A 23 -17.962 -10.896 13.359 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.406 -9.527 13.707 1.00 0.00 N ATOM 0 H LYS A 23 -19.156 -10.223 7.657 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.217 -9.442 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.112 -11.297 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.800 -12.278 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.020 -12.519 11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.668 -10.802 11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.266 -10.574 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.120 -12.254 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.265 -11.593 14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.874 -10.929 13.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.991 -9.249 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.096 -8.863 12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.443 -9.506 13.778 1.00 0.00 H new ATOM 368 N LEU A 24 -16.246 -11.140 7.009 1.00 0.00 N ATOM 369 CA LEU A 24 -15.081 -11.480 6.209 1.00 0.00 C ATOM 370 C LEU A 24 -14.338 -10.199 5.827 1.00 0.00 C ATOM 371 O LEU A 24 -13.110 -10.156 5.857 1.00 0.00 O ATOM 372 CB LEU A 24 -15.487 -12.338 5.009 1.00 0.00 C ATOM 373 CG LEU A 24 -14.666 -13.610 4.785 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.435 -14.614 3.924 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.294 -13.280 4.193 1.00 0.00 C ATOM 0 H LEU A 24 -17.132 -11.486 6.641 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.387 -12.090 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.533 -12.621 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.422 -11.725 4.110 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.494 -14.081 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.829 -15.509 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.366 -14.883 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.658 -14.167 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.731 -14.201 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.423 -12.774 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.750 -12.629 4.877 1.00 0.00 H new ATOM 387 N GLU A 25 -15.116 -9.185 5.475 1.00 0.00 N ATOM 388 CA GLU A 25 -14.548 -7.905 5.087 1.00 0.00 C ATOM 389 C GLU A 25 -13.986 -7.181 6.313 1.00 0.00 C ATOM 390 O GLU A 25 -12.863 -6.679 6.281 1.00 0.00 O ATOM 391 CB GLU A 25 -15.585 -7.042 4.366 1.00 0.00 C ATOM 392 CG GLU A 25 -14.916 -5.860 3.658 1.00 0.00 C ATOM 393 CD GLU A 25 -15.815 -4.623 3.691 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.807 -4.647 2.867 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.561 -3.693 4.471 1.00 0.00 O ATOM 0 H GLU A 25 -16.135 -9.224 5.451 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.729 -8.087 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.126 -7.648 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.319 -6.674 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.964 -5.635 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.696 -6.127 2.624 1.00 0.00 H new ATOM 402 N GLU A 26 -14.794 -7.147 7.362 1.00 0.00 N ATOM 403 CA GLU A 26 -14.392 -6.492 8.595 1.00 0.00 C ATOM 404 C GLU A 26 -13.154 -7.175 9.180 1.00 0.00 C ATOM 405 O GLU A 26 -12.105 -6.549 9.323 1.00 0.00 O ATOM 406 CB GLU A 26 -15.539 -6.476 9.608 1.00 0.00 C ATOM 407 CG GLU A 26 -16.561 -5.392 9.261 1.00 0.00 C ATOM 408 CD GLU A 26 -15.991 -3.996 9.527 1.00 0.00 C ATOM 409 OE1 GLU A 26 -15.945 -3.655 10.770 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.617 -3.289 8.580 1.00 0.00 O ATOM 0 H GLU A 26 -15.725 -7.562 7.384 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.139 -5.457 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.028 -7.450 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.143 -6.301 10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.847 -5.479 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.466 -5.538 9.851 1.00 0.00 H new ATOM 417 N CYS A 27 -13.317 -8.450 9.501 1.00 0.00 N ATOM 418 CA CYS A 27 -12.226 -9.225 10.067 1.00 0.00 C ATOM 419 C CYS A 27 -10.974 -8.979 9.224 1.00 0.00 C ATOM 420 O CYS A 27 -9.901 -8.709 9.761 1.00 0.00 O ATOM 421 CB CYS A 27 -12.573 -10.712 10.154 1.00 0.00 C ATOM 422 SG CYS A 27 -11.628 -11.499 11.509 1.00 0.00 S ATOM 0 H CYS A 27 -14.189 -8.966 9.380 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.042 -8.903 11.092 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.642 -10.835 10.327 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.345 -11.203 9.208 1.00 0.00 H new ATOM 0 HG CYS A 27 -10.799 -10.637 12.017 1.00 0.00 H new ATOM 428 N VAL A 28 -11.152 -9.080 7.914 1.00 0.00 N ATOM 429 CA VAL A 28 -10.050 -8.872 6.991 1.00 0.00 C ATOM 430 C VAL A 28 -9.261 -7.631 7.415 1.00 0.00 C ATOM 431 O VAL A 28 -8.032 -7.647 7.429 1.00 0.00 O ATOM 432 CB VAL A 28 -10.578 -8.783 5.558 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.789 -7.753 4.745 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.553 -10.153 4.878 1.00 0.00 C ATOM 0 H VAL A 28 -12.043 -9.303 7.471 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.364 -9.718 7.019 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.615 -8.451 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.185 -7.710 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.881 -6.773 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.739 -8.042 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.933 -10.061 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.529 -10.527 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.178 -10.849 5.438 1.00 0.00 H new ATOM 444 N ARG A 29 -10.002 -6.586 7.752 1.00 0.00 N ATOM 445 CA ARG A 29 -9.388 -5.339 8.177 1.00 0.00 C ATOM 446 C ARG A 29 -8.770 -5.497 9.568 1.00 0.00 C ATOM 447 O ARG A 29 -7.653 -5.045 9.810 1.00 0.00 O ATOM 448 CB ARG A 29 -10.413 -4.202 8.208 1.00 0.00 C ATOM 449 CG ARG A 29 -10.011 -3.076 7.252 1.00 0.00 C ATOM 450 CD ARG A 29 -11.058 -1.961 7.250 1.00 0.00 C ATOM 451 NE ARG A 29 -11.053 -1.259 8.553 1.00 0.00 N ATOM 452 CZ ARG A 29 -11.776 -1.641 9.615 1.00 0.00 C ATOM 453 NH1 ARG A 29 -12.565 -2.721 9.534 1.00 0.00 N ATOM 454 NH2 ARG A 29 -11.709 -0.944 10.756 1.00 0.00 N ATOM 0 H ARG A 29 -11.022 -6.577 7.740 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.609 -5.091 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.395 -4.585 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.497 -3.811 9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.043 -2.671 7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.896 -3.474 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.848 -1.255 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.046 -2.379 7.057 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.462 -0.433 8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.615 -3.252 8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.115 -3.012 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.108 -0.122 10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.259 -1.235 11.564 1.00 0.00 H new ATOM 468 N SER A 30 -9.526 -6.141 10.445 1.00 0.00 N ATOM 469 CA SER A 30 -9.067 -6.365 11.805 1.00 0.00 C ATOM 470 C SER A 30 -7.650 -6.943 11.791 1.00 0.00 C ATOM 471 O SER A 30 -6.908 -6.802 12.762 1.00 0.00 O ATOM 472 CB SER A 30 -10.014 -7.301 12.560 1.00 0.00 C ATOM 473 OG SER A 30 -9.690 -8.672 12.350 1.00 0.00 O ATOM 0 H SER A 30 -10.453 -6.515 10.240 1.00 0.00 H new ATOM 0 HA SER A 30 -9.057 -5.407 12.324 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.971 -7.078 13.626 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.039 -7.117 12.237 1.00 0.00 H new ATOM 0 HG SER A 30 -9.676 -8.861 11.389 1.00 0.00 H new ATOM 479 N ILE A 31 -7.318 -7.583 10.680 1.00 0.00 N ATOM 480 CA ILE A 31 -6.004 -8.184 10.526 1.00 0.00 C ATOM 481 C ILE A 31 -4.931 -7.122 10.774 1.00 0.00 C ATOM 482 O ILE A 31 -4.973 -6.043 10.186 1.00 0.00 O ATOM 483 CB ILE A 31 -5.885 -8.872 9.165 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.972 -9.935 8.992 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.482 -9.449 8.963 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.841 -10.637 7.638 1.00 0.00 C ATOM 0 H ILE A 31 -7.936 -7.699 9.877 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.855 -8.969 11.268 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.040 -8.123 8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.899 -10.669 9.795 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.955 -9.471 9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.424 -9.933 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.747 -8.645 9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.274 -10.181 9.744 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.625 -11.388 7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.938 -9.904 6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.866 -11.120 7.571 1.00 0.00 H new ATOM 498 N GLN A 32 -3.993 -7.466 11.646 1.00 0.00 N ATOM 499 CA GLN A 32 -2.911 -6.556 11.978 1.00 0.00 C ATOM 500 C GLN A 32 -1.568 -7.288 11.929 1.00 0.00 C ATOM 501 O GLN A 32 -1.461 -8.427 12.380 1.00 0.00 O ATOM 502 CB GLN A 32 -3.135 -5.914 13.349 1.00 0.00 C ATOM 503 CG GLN A 32 -2.281 -4.656 13.512 1.00 0.00 C ATOM 504 CD GLN A 32 -3.122 -3.393 13.319 1.00 0.00 C ATOM 505 OE1 GLN A 32 -3.985 -3.316 12.461 1.00 0.00 O ATOM 506 NE2 GLN A 32 -2.823 -2.409 14.163 1.00 0.00 N ATOM 0 H GLN A 32 -3.961 -8.362 12.132 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.895 -5.757 11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.188 -5.660 13.468 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.889 -6.629 14.134 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.827 -4.647 14.503 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.466 -4.669 12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.088 -2.539 14.858 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.328 -1.524 14.115 1.00 0.00 H new ATOM 515 N ALA A 33 -0.577 -6.602 11.377 1.00 0.00 N ATOM 516 CA ALA A 33 0.754 -7.172 11.262 1.00 0.00 C ATOM 517 C ALA A 33 1.773 -6.047 11.075 1.00 0.00 C ATOM 518 O ALA A 33 1.427 -4.965 10.603 1.00 0.00 O ATOM 519 CB ALA A 33 0.781 -8.181 10.111 1.00 0.00 C ATOM 0 H ALA A 33 -0.670 -5.657 11.005 1.00 0.00 H new ATOM 0 HA ALA A 33 1.020 -7.709 12.172 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.780 -8.608 10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.062 -8.976 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.520 -7.678 9.180 1.00 0.00 H new ATOM 525 N ASP A 34 3.008 -6.340 11.455 1.00 0.00 N ATOM 526 CA ASP A 34 4.079 -5.365 11.335 1.00 0.00 C ATOM 527 C ASP A 34 4.319 -5.057 9.855 1.00 0.00 C ATOM 528 O ASP A 34 4.417 -5.970 9.036 1.00 0.00 O ATOM 529 CB ASP A 34 5.383 -5.905 11.923 1.00 0.00 C ATOM 530 CG ASP A 34 6.272 -4.857 12.597 1.00 0.00 C ATOM 531 OD1 ASP A 34 5.941 -4.558 13.807 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.231 -4.351 11.996 1.00 0.00 O ATOM 0 H ASP A 34 3.291 -7.239 11.846 1.00 0.00 H new ATOM 0 HA ASP A 34 3.782 -4.469 11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.142 -6.678 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.952 -6.384 11.126 1.00 0.00 H new ATOM 537 N GLY A 35 4.407 -3.769 9.558 1.00 0.00 N ATOM 538 CA GLY A 35 4.634 -3.331 8.191 1.00 0.00 C ATOM 539 C GLY A 35 3.407 -3.599 7.318 1.00 0.00 C ATOM 540 O GLY A 35 3.459 -3.436 6.100 1.00 0.00 O ATOM 0 H GLY A 35 4.325 -3.015 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.866 -2.266 8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.499 -3.850 7.778 1.00 0.00 H new ATOM 544 N LEU A 36 2.330 -4.007 7.975 1.00 0.00 N ATOM 545 CA LEU A 36 1.092 -4.300 7.274 1.00 0.00 C ATOM 546 C LEU A 36 0.120 -3.133 7.456 1.00 0.00 C ATOM 547 O LEU A 36 -0.295 -2.834 8.574 1.00 0.00 O ATOM 548 CB LEU A 36 0.526 -5.648 7.726 1.00 0.00 C ATOM 549 CG LEU A 36 -0.758 -6.103 7.030 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.487 -7.284 6.096 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.851 -6.420 8.053 1.00 0.00 C ATOM 0 H LEU A 36 2.290 -4.141 8.985 1.00 0.00 H new ATOM 0 HA LEU A 36 1.275 -4.400 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.289 -6.410 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.337 -5.599 8.798 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.122 -5.282 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.416 -7.588 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.236 -6.988 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.087 -8.119 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.754 -6.741 7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.510 -7.217 8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.069 -5.528 8.641 1.00 0.00 H new ATOM 563 N VAL A 37 -0.216 -2.504 6.338 1.00 0.00 N ATOM 564 CA VAL A 37 -1.132 -1.377 6.360 1.00 0.00 C ATOM 565 C VAL A 37 -2.335 -1.685 5.465 1.00 0.00 C ATOM 566 O VAL A 37 -2.174 -2.193 4.357 1.00 0.00 O ATOM 567 CB VAL A 37 -0.397 -0.098 5.954 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.356 0.905 5.310 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.324 0.524 7.152 1.00 0.00 C ATOM 0 H VAL A 37 0.130 -2.754 5.412 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.511 -1.212 7.369 1.00 0.00 H new ATOM 0 HB VAL A 37 0.355 -0.365 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.808 1.805 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.803 0.462 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.142 1.164 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.838 1.432 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.403 0.770 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.051 -0.186 7.548 1.00 0.00 H new ATOM 579 N TRP A 38 -3.512 -1.364 5.981 1.00 0.00 N ATOM 580 CA TRP A 38 -4.741 -1.600 5.242 1.00 0.00 C ATOM 581 C TRP A 38 -5.095 -0.315 4.491 1.00 0.00 C ATOM 582 O TRP A 38 -5.276 0.737 5.102 1.00 0.00 O ATOM 583 CB TRP A 38 -5.858 -2.074 6.174 1.00 0.00 C ATOM 584 CG TRP A 38 -5.796 -3.566 6.511 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.725 -4.135 7.721 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.803 -4.660 5.570 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.686 -5.513 7.630 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.735 -5.841 6.281 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.865 -4.652 4.165 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.722 -7.102 5.672 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.851 -5.921 3.572 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.782 -7.119 4.274 1.00 0.00 C ATOM 0 H TRP A 38 -3.641 -0.943 6.901 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.607 -2.402 4.516 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.813 -1.501 7.100 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.820 -1.856 5.711 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.701 -3.586 8.651 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.631 -6.169 8.409 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.919 -3.740 3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.669 -8.013 6.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.897 -5.972 2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.775 -8.059 3.742 1.00 0.00 H new ATOM 603 N GLY A 39 -5.184 -0.442 3.175 1.00 0.00 N ATOM 604 CA GLY A 39 -5.513 0.696 2.333 1.00 0.00 C ATOM 605 C GLY A 39 -7.028 0.844 2.180 1.00 0.00 C ATOM 606 O GLY A 39 -7.676 1.504 2.991 1.00 0.00 O ATOM 0 H GLY A 39 -5.034 -1.316 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.097 1.606 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.055 0.572 1.352 1.00 0.00 H new ATOM 610 N SER A 40 -7.549 0.219 1.133 1.00 0.00 N ATOM 611 CA SER A 40 -8.975 0.273 0.863 1.00 0.00 C ATOM 612 C SER A 40 -9.409 -0.975 0.093 1.00 0.00 C ATOM 613 O SER A 40 -8.794 -1.336 -0.909 1.00 0.00 O ATOM 614 CB SER A 40 -9.339 1.535 0.077 1.00 0.00 C ATOM 615 OG SER A 40 -10.039 2.481 0.881 1.00 0.00 O ATOM 0 H SER A 40 -7.008 -0.327 0.462 1.00 0.00 H new ATOM 0 HA SER A 40 -9.503 0.306 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.431 1.993 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.954 1.263 -0.781 1.00 0.00 H new ATOM 0 HG SER A 40 -10.252 3.273 0.344 1.00 0.00 H new ATOM 621 N SER A 41 -10.466 -1.600 0.591 1.00 0.00 N ATOM 622 CA SER A 41 -10.990 -2.801 -0.038 1.00 0.00 C ATOM 623 C SER A 41 -12.015 -2.426 -1.111 1.00 0.00 C ATOM 624 O SER A 41 -12.537 -1.312 -1.113 1.00 0.00 O ATOM 625 CB SER A 41 -11.621 -3.734 0.997 1.00 0.00 C ATOM 626 OG SER A 41 -12.738 -3.132 1.647 1.00 0.00 O ATOM 0 H SER A 41 -10.974 -1.298 1.422 1.00 0.00 H new ATOM 0 HA SER A 41 -10.161 -3.331 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.939 -4.655 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.873 -4.009 1.741 1.00 0.00 H new ATOM 0 HG SER A 41 -13.114 -3.759 2.299 1.00 0.00 H new ATOM 632 N LYS A 42 -12.273 -3.377 -1.996 1.00 0.00 N ATOM 633 CA LYS A 42 -13.226 -3.161 -3.070 1.00 0.00 C ATOM 634 C LYS A 42 -14.236 -4.310 -3.090 1.00 0.00 C ATOM 635 O LYS A 42 -13.936 -5.411 -2.631 1.00 0.00 O ATOM 636 CB LYS A 42 -12.497 -2.959 -4.400 1.00 0.00 C ATOM 637 CG LYS A 42 -11.142 -2.282 -4.186 1.00 0.00 C ATOM 638 CD LYS A 42 -10.843 -1.287 -5.308 1.00 0.00 C ATOM 639 CE LYS A 42 -10.560 -2.013 -6.625 1.00 0.00 C ATOM 640 NZ LYS A 42 -9.200 -1.689 -7.113 1.00 0.00 N ATOM 0 H LYS A 42 -11.838 -4.300 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.790 -2.244 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.353 -3.922 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.110 -2.351 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.137 -1.765 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.357 -3.037 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.689 -0.612 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.984 -0.673 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.655 -3.089 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.299 -1.725 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.024 -2.190 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.122 -0.664 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.498 -1.986 -6.406 1.00 0.00 H new ATOM 654 N LEU A 43 -15.411 -4.014 -3.627 1.00 0.00 N ATOM 655 CA LEU A 43 -16.466 -5.010 -3.713 1.00 0.00 C ATOM 656 C LEU A 43 -16.913 -5.149 -5.170 1.00 0.00 C ATOM 657 O LEU A 43 -16.870 -4.183 -5.931 1.00 0.00 O ATOM 658 CB LEU A 43 -17.605 -4.667 -2.750 1.00 0.00 C ATOM 659 CG LEU A 43 -17.585 -5.390 -1.403 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.735 -6.902 -1.590 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.328 -5.033 -0.607 1.00 0.00 C ATOM 0 H LEU A 43 -15.656 -3.099 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.096 -5.986 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.586 -3.593 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.551 -4.888 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.442 -5.051 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.718 -7.392 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.681 -7.115 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.913 -7.277 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.339 -5.561 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.444 -5.325 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.305 -3.958 -0.427 1.00 0.00 H new ATOM 673 N VAL A 44 -17.331 -6.357 -5.515 1.00 0.00 N ATOM 674 CA VAL A 44 -17.786 -6.635 -6.866 1.00 0.00 C ATOM 675 C VAL A 44 -18.819 -7.763 -6.831 1.00 0.00 C ATOM 676 O VAL A 44 -18.622 -8.769 -6.151 1.00 0.00 O ATOM 677 CB VAL A 44 -16.589 -6.950 -7.766 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.960 -7.980 -8.834 1.00 0.00 C ATOM 679 CG2 VAL A 44 -16.032 -5.675 -8.404 1.00 0.00 C ATOM 0 H VAL A 44 -17.364 -7.156 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.276 -5.759 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.807 -7.382 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.091 -8.185 -9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.286 -8.902 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.768 -7.588 -9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.182 -5.927 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.807 -5.201 -9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.710 -4.988 -7.622 1.00 0.00 H new ATOM 689 N PRO A 45 -19.927 -7.550 -7.590 1.00 0.00 N ATOM 690 CA PRO A 45 -20.992 -8.537 -7.652 1.00 0.00 C ATOM 691 C PRO A 45 -20.584 -9.731 -8.518 1.00 0.00 C ATOM 692 O PRO A 45 -19.976 -9.558 -9.573 1.00 0.00 O ATOM 693 CB PRO A 45 -22.192 -7.786 -8.204 1.00 0.00 C ATOM 694 CG PRO A 45 -21.634 -6.535 -8.864 1.00 0.00 C ATOM 695 CD PRO A 45 -20.193 -6.371 -8.408 1.00 0.00 C ATOM 0 HA PRO A 45 -21.222 -8.969 -6.678 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.738 -8.397 -8.923 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.891 -7.529 -7.409 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.683 -6.622 -9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.224 -5.661 -8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.512 -6.317 -9.258 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.061 -5.453 -7.835 1.00 0.00 H new ATOM 703 N VAL A 46 -20.936 -10.915 -8.040 1.00 0.00 N ATOM 704 CA VAL A 46 -20.614 -12.137 -8.757 1.00 0.00 C ATOM 705 C VAL A 46 -21.621 -13.225 -8.379 1.00 0.00 C ATOM 706 O VAL A 46 -21.816 -13.514 -7.200 1.00 0.00 O ATOM 707 CB VAL A 46 -19.165 -12.541 -8.479 1.00 0.00 C ATOM 708 CG1 VAL A 46 -18.946 -14.028 -8.764 1.00 0.00 C ATOM 709 CG2 VAL A 46 -18.191 -11.679 -9.285 1.00 0.00 C ATOM 0 H VAL A 46 -21.441 -11.054 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.693 -11.980 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.967 -12.370 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.908 -14.289 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.602 -14.621 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.172 -14.235 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -17.168 -11.987 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.390 -11.803 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.320 -10.632 -9.012 1.00 0.00 H new ATOM 719 N GLY A 47 -22.235 -13.800 -9.403 1.00 0.00 N ATOM 720 CA GLY A 47 -23.217 -14.850 -9.194 1.00 0.00 C ATOM 721 C GLY A 47 -24.574 -14.261 -8.799 1.00 0.00 C ATOM 722 O GLY A 47 -24.932 -13.170 -9.240 1.00 0.00 O ATOM 0 H GLY A 47 -22.071 -13.558 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -23.324 -15.440 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.870 -15.528 -8.414 1.00 0.00 H new ATOM 726 N TYR A 48 -25.291 -15.010 -7.975 1.00 0.00 N ATOM 727 CA TYR A 48 -26.600 -14.576 -7.517 1.00 0.00 C ATOM 728 C TYR A 48 -26.619 -14.403 -5.997 1.00 0.00 C ATOM 729 O TYR A 48 -26.607 -15.384 -5.256 1.00 0.00 O ATOM 730 CB TYR A 48 -27.573 -15.693 -7.902 1.00 0.00 C ATOM 731 CG TYR A 48 -28.764 -15.219 -8.738 1.00 0.00 C ATOM 732 CD1 TYR A 48 -29.814 -14.561 -8.131 1.00 0.00 C ATOM 733 CD2 TYR A 48 -28.788 -15.448 -10.098 1.00 0.00 C ATOM 734 CE1 TYR A 48 -30.936 -14.115 -8.916 1.00 0.00 C ATOM 735 CE2 TYR A 48 -29.909 -15.002 -10.884 1.00 0.00 C ATOM 736 CZ TYR A 48 -30.927 -14.357 -10.254 1.00 0.00 C ATOM 737 OH TYR A 48 -31.986 -13.936 -10.997 1.00 0.00 O ATOM 0 H TYR A 48 -24.991 -15.915 -7.612 1.00 0.00 H new ATOM 0 HA TYR A 48 -26.865 -13.618 -7.964 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -27.031 -16.457 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -27.945 -16.166 -6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -29.794 -14.380 -7.066 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -27.966 -15.962 -10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -31.765 -13.600 -8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -29.941 -15.176 -11.949 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.843 -14.176 -11.936 1.00 0.00 H new ATOM 747 N GLY A 49 -26.648 -13.145 -5.578 1.00 0.00 N ATOM 748 CA GLY A 49 -26.668 -12.830 -4.160 1.00 0.00 C ATOM 749 C GLY A 49 -25.265 -12.922 -3.557 1.00 0.00 C ATOM 750 O GLY A 49 -25.082 -12.689 -2.363 1.00 0.00 O ATOM 0 H GLY A 49 -26.658 -12.333 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.066 -11.826 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.336 -13.517 -3.641 1.00 0.00 H new ATOM 754 N ILE A 50 -24.311 -13.265 -4.410 1.00 0.00 N ATOM 755 CA ILE A 50 -22.930 -13.390 -3.976 1.00 0.00 C ATOM 756 C ILE A 50 -22.147 -12.152 -4.416 1.00 0.00 C ATOM 757 O ILE A 50 -22.587 -11.415 -5.297 1.00 0.00 O ATOM 758 CB ILE A 50 -22.330 -14.707 -4.475 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.847 -15.890 -3.654 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.801 -14.642 -4.488 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.312 -17.028 -4.565 1.00 0.00 C ATOM 0 H ILE A 50 -24.467 -13.460 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.874 -13.432 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.654 -14.863 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.060 -16.249 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.673 -15.565 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.400 -15.590 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.477 -13.838 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.436 -14.452 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.675 -17.856 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.116 -16.673 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.477 -17.367 -5.179 1.00 0.00 H new ATOM 773 N LYS A 51 -20.999 -11.961 -3.782 1.00 0.00 N ATOM 774 CA LYS A 51 -20.151 -10.824 -4.097 1.00 0.00 C ATOM 775 C LYS A 51 -18.683 -11.237 -3.967 1.00 0.00 C ATOM 776 O LYS A 51 -18.380 -12.306 -3.438 1.00 0.00 O ATOM 777 CB LYS A 51 -20.529 -9.618 -3.236 1.00 0.00 C ATOM 778 CG LYS A 51 -21.813 -8.961 -3.745 1.00 0.00 C ATOM 779 CD LYS A 51 -23.001 -9.306 -2.846 1.00 0.00 C ATOM 780 CE LYS A 51 -23.601 -8.046 -2.221 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.689 -8.400 -1.282 1.00 0.00 N ATOM 0 H LYS A 51 -20.637 -12.574 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.304 -10.509 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.663 -9.933 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.716 -8.891 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.682 -7.879 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.016 -9.292 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.763 -9.826 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.680 -9.989 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.825 -7.489 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.987 -7.393 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.085 -7.533 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.436 -8.912 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.311 -9.005 -0.525 1.00 0.00 H new ATOM 795 N LYS A 52 -17.812 -10.369 -4.458 1.00 0.00 N ATOM 796 CA LYS A 52 -16.384 -10.630 -4.403 1.00 0.00 C ATOM 797 C LYS A 52 -15.800 -9.990 -3.141 1.00 0.00 C ATOM 798 O LYS A 52 -16.123 -8.849 -2.814 1.00 0.00 O ATOM 799 CB LYS A 52 -15.705 -10.170 -5.695 1.00 0.00 C ATOM 800 CG LYS A 52 -14.949 -11.324 -6.359 1.00 0.00 C ATOM 801 CD LYS A 52 -14.104 -10.824 -7.532 1.00 0.00 C ATOM 802 CE LYS A 52 -13.488 -11.994 -8.302 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.378 -12.412 -9.409 1.00 0.00 N ATOM 0 H LYS A 52 -18.067 -9.484 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.196 -11.701 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.453 -9.777 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.014 -9.356 -5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.307 -11.812 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.658 -12.073 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.723 -10.228 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.314 -10.170 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.515 -11.704 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.319 -12.833 -7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.860 -13.047 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.204 -12.910 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.695 -11.573 -9.935 1.00 0.00 H new ATOM 817 N LEU A 53 -14.953 -10.754 -2.468 1.00 0.00 N ATOM 818 CA LEU A 53 -14.322 -10.276 -1.248 1.00 0.00 C ATOM 819 C LEU A 53 -12.879 -9.868 -1.553 1.00 0.00 C ATOM 820 O LEU A 53 -11.938 -10.519 -1.103 1.00 0.00 O ATOM 821 CB LEU A 53 -14.445 -11.321 -0.138 1.00 0.00 C ATOM 822 CG LEU A 53 -15.195 -10.878 1.120 1.00 0.00 C ATOM 823 CD1 LEU A 53 -14.286 -10.064 2.043 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.472 -10.116 0.757 1.00 0.00 C ATOM 0 H LEU A 53 -14.688 -11.700 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.833 -9.388 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.947 -12.198 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.442 -11.634 0.152 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.496 -11.770 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.844 -9.762 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.432 -10.672 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.933 -9.177 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.986 -9.812 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.215 -9.232 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -17.126 -10.761 0.169 1.00 0.00 H new ATOM 836 N GLN A 54 -12.751 -8.791 -2.314 1.00 0.00 N ATOM 837 CA GLN A 54 -11.439 -8.288 -2.683 1.00 0.00 C ATOM 838 C GLN A 54 -11.023 -7.152 -1.746 1.00 0.00 C ATOM 839 O GLN A 54 -11.847 -6.319 -1.370 1.00 0.00 O ATOM 840 CB GLN A 54 -11.418 -7.830 -4.143 1.00 0.00 C ATOM 841 CG GLN A 54 -10.158 -7.014 -4.444 1.00 0.00 C ATOM 842 CD GLN A 54 -9.933 -6.890 -5.952 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.233 -5.882 -6.570 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.390 -7.970 -6.508 1.00 0.00 N ATOM 0 H GLN A 54 -13.534 -8.253 -2.685 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.718 -9.099 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.459 -8.698 -4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.303 -7.229 -4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.249 -6.021 -4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.293 -7.490 -3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.163 -8.781 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.201 -7.987 -7.510 1.00 0.00 H new ATOM 853 N ILE A 55 -9.745 -7.154 -1.397 1.00 0.00 N ATOM 854 CA ILE A 55 -9.210 -6.134 -0.510 1.00 0.00 C ATOM 855 C ILE A 55 -7.734 -5.905 -0.837 1.00 0.00 C ATOM 856 O ILE A 55 -7.052 -6.810 -1.317 1.00 0.00 O ATOM 857 CB ILE A 55 -9.467 -6.505 0.951 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.265 -7.238 1.550 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.759 -7.311 1.093 1.00 0.00 C ATOM 860 CD1 ILE A 55 -8.164 -8.663 1.002 1.00 0.00 C ATOM 0 H ILE A 55 -9.064 -7.845 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.723 -5.185 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.598 -5.584 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.350 -6.691 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.356 -7.268 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.918 -7.562 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.599 -6.719 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.682 -8.228 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.302 -9.162 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.070 -9.214 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.048 -8.629 -0.081 1.00 0.00 H new ATOM 872 N GLN A 56 -7.280 -4.689 -0.563 1.00 0.00 N ATOM 873 CA GLN A 56 -5.896 -4.331 -0.822 1.00 0.00 C ATOM 874 C GLN A 56 -5.184 -3.986 0.488 1.00 0.00 C ATOM 875 O GLN A 56 -5.771 -3.367 1.374 1.00 0.00 O ATOM 876 CB GLN A 56 -5.807 -3.171 -1.815 1.00 0.00 C ATOM 877 CG GLN A 56 -4.368 -2.966 -2.291 1.00 0.00 C ATOM 878 CD GLN A 56 -4.333 -2.247 -3.641 1.00 0.00 C ATOM 879 OE1 GLN A 56 -5.163 -1.408 -3.948 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.328 -2.621 -4.428 1.00 0.00 N ATOM 0 H GLN A 56 -7.847 -3.940 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.396 -5.190 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.452 -3.370 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.172 -2.257 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.816 -2.386 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.869 -3.931 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.667 -3.330 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.218 -2.199 -5.350 1.00 0.00 H new ATOM 889 N CYS A 57 -3.929 -4.403 0.569 1.00 0.00 N ATOM 890 CA CYS A 57 -3.131 -4.147 1.755 1.00 0.00 C ATOM 891 C CYS A 57 -1.956 -3.249 1.360 1.00 0.00 C ATOM 892 O CYS A 57 -1.946 -2.681 0.269 1.00 0.00 O ATOM 893 CB CYS A 57 -2.659 -5.446 2.411 1.00 0.00 C ATOM 894 SG CYS A 57 -2.906 -5.359 4.223 1.00 0.00 S ATOM 0 H CYS A 57 -3.445 -4.916 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.740 -3.639 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.211 -6.292 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.606 -5.614 2.187 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.161 -5.557 4.500 1.00 0.00 H new ATOM 900 N VAL A 58 -0.996 -3.149 2.268 1.00 0.00 N ATOM 901 CA VAL A 58 0.179 -2.331 2.027 1.00 0.00 C ATOM 902 C VAL A 58 1.365 -2.908 2.803 1.00 0.00 C ATOM 903 O VAL A 58 1.945 -2.231 3.650 1.00 0.00 O ATOM 904 CB VAL A 58 -0.117 -0.873 2.386 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.136 -0.007 2.239 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.267 -0.322 1.539 1.00 0.00 C ATOM 0 H VAL A 58 -1.009 -3.621 3.172 1.00 0.00 H new ATOM 0 HA VAL A 58 0.444 -2.345 0.970 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.426 -0.841 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.898 1.024 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.916 -0.379 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.488 -0.048 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.457 0.715 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.999 -0.374 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.165 -0.914 1.715 1.00 0.00 H new ATOM 916 N VAL A 59 1.689 -4.152 2.483 1.00 0.00 N ATOM 917 CA VAL A 59 2.796 -4.828 3.139 1.00 0.00 C ATOM 918 C VAL A 59 4.105 -4.447 2.444 1.00 0.00 C ATOM 919 O VAL A 59 4.092 -3.943 1.322 1.00 0.00 O ATOM 920 CB VAL A 59 2.548 -6.337 3.162 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.085 -6.647 3.484 1.00 0.00 C ATOM 922 CG2 VAL A 59 2.966 -6.981 1.839 1.00 0.00 C ATOM 0 H VAL A 59 1.205 -4.709 1.779 1.00 0.00 H new ATOM 0 HA VAL A 59 2.876 -4.510 4.178 1.00 0.00 H new ATOM 0 HB VAL A 59 3.163 -6.766 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.936 -7.727 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.833 -6.237 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.443 -6.199 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.779 -8.054 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.389 -6.544 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.028 -6.804 1.668 1.00 0.00 H new ATOM 932 N GLU A 60 5.203 -4.703 3.141 1.00 0.00 N ATOM 933 CA GLU A 60 6.517 -4.393 2.605 1.00 0.00 C ATOM 934 C GLU A 60 7.007 -5.533 1.710 1.00 0.00 C ATOM 935 O GLU A 60 6.636 -6.689 1.911 1.00 0.00 O ATOM 936 CB GLU A 60 7.516 -4.110 3.728 1.00 0.00 C ATOM 937 CG GLU A 60 8.157 -2.731 3.558 1.00 0.00 C ATOM 938 CD GLU A 60 9.244 -2.761 2.482 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.570 -3.838 1.961 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.755 -1.614 2.192 1.00 0.00 O ATOM 0 H GLU A 60 5.209 -5.121 4.071 1.00 0.00 H new ATOM 0 HA GLU A 60 6.437 -3.490 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.010 -4.163 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.291 -4.877 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.393 -2.002 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.587 -2.407 4.506 1.00 0.00 H new ATOM 947 N ASP A 61 7.835 -5.169 0.740 1.00 0.00 N ATOM 948 CA ASP A 61 8.379 -6.147 -0.186 1.00 0.00 C ATOM 949 C ASP A 61 9.580 -6.841 0.460 1.00 0.00 C ATOM 950 O ASP A 61 10.254 -7.647 -0.180 1.00 0.00 O ATOM 951 CB ASP A 61 8.857 -5.478 -1.475 1.00 0.00 C ATOM 952 CG ASP A 61 8.660 -6.308 -2.746 1.00 0.00 C ATOM 953 OD1 ASP A 61 7.525 -6.526 -3.197 1.00 0.00 O ATOM 954 OD2 ASP A 61 9.748 -6.744 -3.286 1.00 0.00 O ATOM 0 H ASP A 61 8.142 -4.210 0.576 1.00 0.00 H new ATOM 0 HA ASP A 61 7.592 -6.863 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.330 -4.531 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.916 -5.243 -1.373 1.00 0.00 H new ATOM 959 N ASP A 62 9.813 -6.501 1.719 1.00 0.00 N ATOM 960 CA ASP A 62 10.921 -7.080 2.458 1.00 0.00 C ATOM 961 C ASP A 62 10.511 -7.269 3.921 1.00 0.00 C ATOM 962 O ASP A 62 11.360 -7.287 4.809 1.00 0.00 O ATOM 963 CB ASP A 62 12.146 -6.164 2.425 1.00 0.00 C ATOM 964 CG ASP A 62 13.444 -6.801 2.925 1.00 0.00 C ATOM 965 OD1 ASP A 62 13.706 -6.847 4.136 1.00 0.00 O ATOM 966 OD2 ASP A 62 14.213 -7.268 2.001 1.00 0.00 O ATOM 0 H ASP A 62 9.253 -5.831 2.246 1.00 0.00 H new ATOM 0 HA ASP A 62 11.172 -8.034 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.298 -5.822 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.937 -5.281 3.028 1.00 0.00 H new ATOM 971 N LYS A 63 9.208 -7.402 4.123 1.00 0.00 N ATOM 972 CA LYS A 63 8.675 -7.587 5.463 1.00 0.00 C ATOM 973 C LYS A 63 7.694 -8.761 5.458 1.00 0.00 C ATOM 974 O LYS A 63 8.096 -9.911 5.637 1.00 0.00 O ATOM 975 CB LYS A 63 8.070 -6.282 5.983 1.00 0.00 C ATOM 976 CG LYS A 63 7.599 -6.435 7.431 1.00 0.00 C ATOM 977 CD LYS A 63 8.612 -5.831 8.404 1.00 0.00 C ATOM 978 CE LYS A 63 9.216 -6.909 9.308 1.00 0.00 C ATOM 979 NZ LYS A 63 10.664 -6.671 9.502 1.00 0.00 N ATOM 0 H LYS A 63 8.506 -7.385 3.383 1.00 0.00 H new ATOM 0 HA LYS A 63 9.474 -7.841 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.809 -5.484 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.230 -5.990 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.633 -5.946 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.454 -7.491 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.405 -5.333 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.126 -5.070 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.709 -6.909 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.059 -7.893 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.058 -7.411 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.146 -6.694 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.807 -5.741 9.944 1.00 0.00 H new ATOM 993 N VAL A 64 6.428 -8.432 5.253 1.00 0.00 N ATOM 994 CA VAL A 64 5.386 -9.445 5.223 1.00 0.00 C ATOM 995 C VAL A 64 4.889 -9.617 3.786 1.00 0.00 C ATOM 996 O VAL A 64 5.166 -8.784 2.926 1.00 0.00 O ATOM 997 CB VAL A 64 4.270 -9.078 6.203 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.091 -10.046 6.079 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.794 -9.032 7.638 1.00 0.00 C ATOM 0 H VAL A 64 6.099 -7.478 5.106 1.00 0.00 H new ATOM 0 HA VAL A 64 5.780 -10.408 5.548 1.00 0.00 H new ATOM 0 HB VAL A 64 3.913 -8.081 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.312 -9.763 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.693 -10.006 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.428 -11.059 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.981 -8.769 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.192 -10.009 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.584 -8.285 7.713 1.00 0.00 H new ATOM 1009 N GLY A 65 4.162 -10.704 3.572 1.00 0.00 N ATOM 1010 CA GLY A 65 3.624 -10.996 2.254 1.00 0.00 C ATOM 1011 C GLY A 65 2.161 -11.436 2.345 1.00 0.00 C ATOM 1012 O GLY A 65 1.499 -11.199 3.354 1.00 0.00 O ATOM 0 H GLY A 65 3.933 -11.393 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.703 -10.112 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.215 -11.781 1.782 1.00 0.00 H new ATOM 1016 N THR A 66 1.699 -12.069 1.276 1.00 0.00 N ATOM 1017 CA THR A 66 0.327 -12.545 1.223 1.00 0.00 C ATOM 1018 C THR A 66 0.162 -13.795 2.089 1.00 0.00 C ATOM 1019 O THR A 66 -0.911 -14.035 2.640 1.00 0.00 O ATOM 1020 CB THR A 66 -0.038 -12.771 -0.245 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.735 -11.584 -0.617 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.073 -13.883 -0.427 1.00 0.00 C ATOM 0 H THR A 66 2.250 -12.263 0.440 1.00 0.00 H new ATOM 0 HA THR A 66 -0.363 -11.809 1.635 1.00 0.00 H new ATOM 0 HB THR A 66 0.862 -13.017 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.211 -10.800 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.296 -14.002 -1.487 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.675 -14.818 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.986 -13.622 0.109 1.00 0.00 H new ATOM 1030 N ASP A 67 1.241 -14.558 2.183 1.00 0.00 N ATOM 1031 CA ASP A 67 1.230 -15.777 2.973 1.00 0.00 C ATOM 1032 C ASP A 67 0.427 -15.542 4.254 1.00 0.00 C ATOM 1033 O ASP A 67 -0.721 -15.972 4.360 1.00 0.00 O ATOM 1034 CB ASP A 67 2.648 -16.189 3.373 1.00 0.00 C ATOM 1035 CG ASP A 67 3.644 -15.034 3.500 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.732 -14.166 2.620 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.360 -15.049 4.574 1.00 0.00 O ATOM 0 H ASP A 67 2.129 -14.355 1.725 1.00 0.00 H new ATOM 0 HA ASP A 67 0.783 -16.566 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.602 -16.716 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.027 -16.896 2.635 1.00 0.00 H new ATOM 1042 N MET A 68 1.063 -14.861 5.196 1.00 0.00 N ATOM 1043 CA MET A 68 0.423 -14.563 6.466 1.00 0.00 C ATOM 1044 C MET A 68 -1.052 -14.202 6.266 1.00 0.00 C ATOM 1045 O MET A 68 -1.934 -14.835 6.844 1.00 0.00 O ATOM 1046 CB MET A 68 1.146 -13.398 7.142 1.00 0.00 C ATOM 1047 CG MET A 68 1.183 -13.582 8.660 1.00 0.00 C ATOM 1048 SD MET A 68 -0.472 -13.508 9.324 1.00 0.00 S ATOM 1049 CE MET A 68 -0.956 -11.881 8.773 1.00 0.00 C ATOM 0 H MET A 68 2.015 -14.507 5.105 1.00 0.00 H new ATOM 0 HA MET A 68 0.479 -15.451 7.096 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.163 -13.323 6.756 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.643 -12.462 6.898 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.641 -14.540 8.907 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.801 -12.807 9.114 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.428 -11.344 9.596 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.075 -11.333 8.440 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.661 -11.971 7.947 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.272 -13.186 5.444 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.623 -12.733 5.160 1.00 0.00 C ATOM 1061 C LEU A 69 -3.488 -13.935 4.775 1.00 0.00 C ATOM 1062 O LEU A 69 -4.499 -14.209 5.420 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.607 -11.624 4.107 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.269 -10.220 4.616 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -2.201 -9.220 3.460 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -3.254 -9.779 5.700 1.00 0.00 C ATOM 0 H LEU A 69 -0.538 -12.664 4.966 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.071 -12.289 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.885 -11.893 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.586 -11.590 3.629 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.280 -10.250 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.959 -8.231 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.430 -9.531 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.165 -9.185 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.992 -8.779 6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.264 -9.769 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.209 -10.475 6.538 1.00 0.00 H new ATOM 1078 N GLU A 70 -3.061 -14.618 3.723 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.784 -15.784 3.245 1.00 0.00 C ATOM 1080 C GLU A 70 -4.056 -16.751 4.398 1.00 0.00 C ATOM 1081 O GLU A 70 -5.197 -17.161 4.612 1.00 0.00 O ATOM 1082 CB GLU A 70 -3.018 -16.479 2.117 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.735 -17.755 1.671 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.804 -18.649 0.850 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.714 -18.211 0.453 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.247 -19.840 0.628 1.00 0.00 O ATOM 0 H GLU A 70 -2.224 -14.386 3.188 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.741 -15.453 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.916 -15.800 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.010 -16.723 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.091 -18.300 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.612 -17.495 1.078 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.992 -17.087 5.111 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.102 -17.999 6.237 1.00 0.00 C ATOM 1095 C GLU A 71 -3.945 -17.370 7.347 1.00 0.00 C ATOM 1096 O GLU A 71 -4.311 -18.042 8.311 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.720 -18.398 6.757 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.108 -19.503 5.896 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.043 -19.081 4.427 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -2.089 -19.371 3.729 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -0.034 -18.508 3.989 1.00 0.00 O ATOM 0 H GLU A 71 -2.048 -16.744 4.931 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.601 -18.907 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.063 -17.528 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.801 -18.739 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.106 -19.736 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.700 -20.413 5.991 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.231 -16.088 7.176 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.025 -15.360 8.152 1.00 0.00 C ATOM 1110 C GLN A 72 -6.485 -15.290 7.702 1.00 0.00 C ATOM 1111 O GLN A 72 -7.391 -15.621 8.467 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.457 -13.960 8.387 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.255 -13.217 9.461 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.338 -12.717 10.579 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.128 -12.869 10.538 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.978 -12.115 11.576 1.00 0.00 N ATOM 0 H GLN A 72 -3.927 -15.534 6.375 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.982 -15.897 9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.413 -14.034 8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.479 -13.394 7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.779 -12.374 9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.014 -13.879 9.878 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.993 -12.021 11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.454 -11.747 12.370 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.670 -14.858 6.463 1.00 0.00 N ATOM 1126 CA ILE A 73 -8.005 -14.741 5.902 1.00 0.00 C ATOM 1127 C ILE A 73 -8.526 -16.133 5.540 1.00 0.00 C ATOM 1128 O ILE A 73 -9.515 -16.596 6.105 1.00 0.00 O ATOM 1129 CB ILE A 73 -8.010 -13.758 4.729 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -7.257 -12.474 5.087 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.437 -13.473 4.258 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.257 -12.101 3.991 1.00 0.00 C ATOM 0 H ILE A 73 -5.917 -14.585 5.832 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.692 -14.325 6.639 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.482 -14.219 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.967 -11.659 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.732 -12.608 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.412 -12.772 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.906 -14.403 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.011 -13.041 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.736 -11.185 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.534 -12.907 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.788 -11.944 3.052 1.00 0.00 H new ATOM 1144 N THR A 74 -7.836 -16.761 4.599 1.00 0.00 N ATOM 1145 CA THR A 74 -8.216 -18.091 4.154 1.00 0.00 C ATOM 1146 C THR A 74 -8.297 -19.049 5.345 1.00 0.00 C ATOM 1147 O THR A 74 -8.995 -20.059 5.287 1.00 0.00 O ATOM 1148 CB THR A 74 -7.217 -18.535 3.084 1.00 0.00 C ATOM 1149 OG1 THR A 74 -8.014 -19.238 2.135 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.236 -19.590 3.601 1.00 0.00 C ATOM 0 H THR A 74 -7.016 -16.373 4.133 1.00 0.00 H new ATOM 0 HA THR A 74 -9.211 -18.090 3.709 1.00 0.00 H new ATOM 0 HB THR A 74 -6.662 -17.669 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.445 -19.560 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.549 -19.870 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.671 -19.182 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.788 -20.470 3.930 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.573 -18.696 6.397 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.554 -19.511 7.600 1.00 0.00 C ATOM 1160 C ALA A 75 -8.967 -20.024 7.885 1.00 0.00 C ATOM 1161 O ALA A 75 -9.136 -21.098 8.461 1.00 0.00 O ATOM 1162 CB ALA A 75 -6.985 -18.695 8.761 1.00 0.00 C ATOM 0 H ALA A 75 -6.995 -17.857 6.441 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.909 -20.379 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.971 -19.307 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.970 -18.379 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.608 -17.816 8.928 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.944 -19.234 7.468 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.337 -19.595 7.671 1.00 0.00 C ATOM 1170 C PHE A 76 -11.901 -20.319 6.447 1.00 0.00 C ATOM 1171 O PHE A 76 -12.557 -19.706 5.606 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.112 -18.292 7.879 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.516 -18.033 9.332 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.138 -19.007 10.049 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.252 -16.830 9.908 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.513 -18.767 11.397 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.627 -16.590 11.256 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.250 -17.564 11.973 1.00 0.00 C ATOM 0 H PHE A 76 -9.799 -18.345 6.990 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.426 -20.263 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.503 -17.459 7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.010 -18.313 7.261 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.347 -19.963 9.593 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.757 -16.057 9.340 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.008 -19.541 11.965 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.418 -15.634 11.712 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.535 -17.382 12.999 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.624 -21.613 6.384 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.094 -22.427 5.276 1.00 0.00 C ATOM 1190 C GLU A 77 -13.612 -22.602 5.355 1.00 0.00 C ATOM 1191 O GLU A 77 -14.231 -23.110 4.421 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.385 -23.782 5.252 1.00 0.00 C ATOM 1193 CG GLU A 77 -10.343 -23.836 4.133 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.015 -23.908 2.761 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -11.769 -24.853 2.488 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -10.731 -22.934 1.962 1.00 0.00 O ATOM 0 H GLU A 77 -11.079 -22.118 7.083 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.855 -21.914 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.902 -23.961 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.117 -24.577 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.704 -22.954 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.699 -24.704 4.272 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.168 -22.174 6.478 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.602 -22.278 6.691 1.00 0.00 C ATOM 1205 C ASP A 78 -16.284 -21.015 6.163 1.00 0.00 C ATOM 1206 O ASP A 78 -17.471 -20.800 6.403 1.00 0.00 O ATOM 1207 CB ASP A 78 -15.930 -22.406 8.180 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.204 -23.192 8.496 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.930 -23.623 7.588 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -17.443 -23.359 9.753 1.00 0.00 O ATOM 0 H ASP A 78 -13.652 -21.754 7.251 1.00 0.00 H new ATOM 0 HA ASP A 78 -15.958 -23.165 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.090 -22.887 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.024 -21.406 8.603 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.505 -20.212 5.454 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.020 -18.976 4.890 1.00 0.00 C ATOM 1217 C TYR A 79 -15.326 -18.646 3.567 1.00 0.00 C ATOM 1218 O TYR A 79 -15.972 -18.218 2.612 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.697 -17.881 5.909 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.453 -18.019 7.230 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -17.820 -17.831 7.267 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -15.769 -18.331 8.388 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -18.532 -17.961 8.512 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -16.481 -18.462 9.632 1.00 0.00 C ATOM 1225 CZ TYR A 79 -17.827 -18.270 9.634 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.500 -18.393 10.809 1.00 0.00 O ATOM 0 H TYR A 79 -14.521 -20.393 5.257 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.088 -19.060 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.626 -17.892 6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.928 -16.911 5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.356 -17.586 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.699 -18.477 8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -19.601 -17.816 8.554 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.957 -18.707 10.544 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.870 -18.617 11.525 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.017 -18.859 3.552 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.229 -18.589 2.362 1.00 0.00 C ATOM 1238 C VAL A 80 -13.316 -19.788 1.415 1.00 0.00 C ATOM 1239 O VAL A 80 -13.068 -20.922 1.820 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.791 -18.242 2.755 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.949 -17.916 1.520 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.762 -17.087 3.759 1.00 0.00 C ATOM 0 H VAL A 80 -13.484 -19.215 4.345 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.625 -17.724 1.830 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.354 -19.117 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.932 -17.673 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.931 -18.779 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.384 -17.064 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.729 -16.860 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.225 -16.206 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.311 -17.371 4.657 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.669 -19.494 0.173 1.00 0.00 N ATOM 1253 CA GLN A 81 -13.792 -20.534 -0.835 1.00 0.00 C ATOM 1254 C GLN A 81 -12.429 -20.827 -1.465 1.00 0.00 C ATOM 1255 O GLN A 81 -12.132 -21.972 -1.807 1.00 0.00 O ATOM 1256 CB GLN A 81 -14.816 -20.144 -1.903 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.051 -21.295 -2.883 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.588 -20.777 -4.220 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.157 -19.702 -4.314 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -15.375 -21.599 -5.244 1.00 0.00 N ATOM 0 H GLN A 81 -13.874 -18.551 -0.159 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.149 -21.442 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.757 -19.869 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.465 -19.266 -2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.118 -21.834 -3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.758 -22.004 -2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.892 -22.485 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.695 -21.343 -6.178 1.00 0.00 H new ATOM 1269 N SER A 82 -11.635 -19.775 -1.599 1.00 0.00 N ATOM 1270 CA SER A 82 -10.311 -19.905 -2.181 1.00 0.00 C ATOM 1271 C SER A 82 -9.730 -18.521 -2.476 1.00 0.00 C ATOM 1272 O SER A 82 -10.237 -17.802 -3.335 1.00 0.00 O ATOM 1273 CB SER A 82 -10.351 -20.747 -3.458 1.00 0.00 C ATOM 1274 OG SER A 82 -11.522 -20.493 -4.227 1.00 0.00 O ATOM 0 H SER A 82 -11.884 -18.828 -1.314 1.00 0.00 H new ATOM 0 HA SER A 82 -9.670 -20.415 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.468 -20.534 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.311 -21.804 -3.197 1.00 0.00 H new ATOM 0 HG SER A 82 -11.510 -21.048 -5.035 1.00 0.00 H new ATOM 1280 N MET A 83 -8.675 -18.189 -1.747 1.00 0.00 N ATOM 1281 CA MET A 83 -8.020 -16.903 -1.920 1.00 0.00 C ATOM 1282 C MET A 83 -7.143 -16.898 -3.174 1.00 0.00 C ATOM 1283 O MET A 83 -6.628 -17.939 -3.578 1.00 0.00 O ATOM 1284 CB MET A 83 -7.157 -16.601 -0.693 1.00 0.00 C ATOM 1285 CG MET A 83 -6.673 -15.149 -0.708 1.00 0.00 C ATOM 1286 SD MET A 83 -5.193 -14.990 0.278 1.00 0.00 S ATOM 1287 CE MET A 83 -3.979 -15.589 -0.885 1.00 0.00 C ATOM 0 H MET A 83 -8.257 -18.788 -1.035 1.00 0.00 H new ATOM 0 HA MET A 83 -8.788 -16.138 -2.033 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.731 -16.788 0.215 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.300 -17.274 -0.672 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.473 -14.834 -1.732 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.452 -14.493 -0.319 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.056 -15.827 -0.357 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.357 -16.486 -1.376 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.782 -14.821 -1.633 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.004 -15.716 -3.753 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.198 -15.561 -4.953 1.00 0.00 C ATOM 1299 C ASP A 84 -5.449 -14.230 -4.892 1.00 0.00 C ATOM 1300 O ASP A 84 -5.510 -13.525 -3.886 1.00 0.00 O ATOM 1301 CB ASP A 84 -7.075 -15.553 -6.207 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.489 -16.934 -6.718 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -8.049 -17.751 -5.970 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.208 -17.165 -7.956 1.00 0.00 O ATOM 0 H ASP A 84 -7.435 -14.856 -3.415 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.503 -16.399 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.975 -14.975 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.540 -15.034 -7.002 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.758 -13.925 -5.981 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.995 -12.690 -6.063 1.00 0.00 C ATOM 1311 C VAL A 85 -4.546 -11.833 -7.204 1.00 0.00 C ATOM 1312 O VAL A 85 -4.852 -12.346 -8.279 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.506 -13.004 -6.214 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.723 -11.754 -6.625 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.939 -13.608 -4.929 1.00 0.00 C ATOM 0 H VAL A 85 -4.710 -14.512 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.098 -12.113 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.398 -13.744 -7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.667 -12.003 -6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.101 -11.385 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.843 -10.983 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.879 -13.822 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.065 -12.902 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.468 -14.532 -4.697 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.655 -10.540 -6.932 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.161 -9.607 -7.922 1.00 0.00 C ATOM 1327 C ALA A 86 -4.023 -8.696 -8.389 1.00 0.00 C ATOM 1328 O ALA A 86 -4.103 -8.097 -9.461 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.332 -8.819 -7.329 1.00 0.00 C ATOM 0 H ALA A 86 -4.401 -10.118 -6.039 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.535 -10.141 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.712 -8.118 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.126 -9.508 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.993 -8.269 -6.451 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.991 -8.622 -7.562 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.839 -7.795 -7.877 1.00 0.00 C ATOM 1337 C ALA A 87 -0.774 -7.978 -6.793 1.00 0.00 C ATOM 1338 O ALA A 87 -1.100 -8.165 -5.622 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.279 -6.337 -8.020 1.00 0.00 C ATOM 0 H ALA A 87 -2.928 -9.121 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.399 -8.097 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.414 -5.717 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.013 -6.256 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.724 -5.998 -7.084 1.00 0.00 H new ATOM 1345 N PHE A 88 0.478 -7.919 -7.224 1.00 0.00 N ATOM 1346 CA PHE A 88 1.593 -8.076 -6.304 1.00 0.00 C ATOM 1347 C PHE A 88 2.852 -7.398 -6.848 1.00 0.00 C ATOM 1348 O PHE A 88 3.680 -8.041 -7.493 1.00 0.00 O ATOM 1349 CB PHE A 88 1.855 -9.577 -6.171 1.00 0.00 C ATOM 1350 CG PHE A 88 2.324 -10.007 -4.780 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.225 -9.247 -4.101 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.839 -11.148 -4.220 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.660 -9.645 -2.809 1.00 0.00 C ATOM 1354 CE2 PHE A 88 2.274 -11.545 -2.929 1.00 0.00 C ATOM 1355 CZ PHE A 88 3.176 -10.786 -2.251 1.00 0.00 C ATOM 0 H PHE A 88 0.745 -7.765 -8.196 1.00 0.00 H new ATOM 0 HA PHE A 88 1.351 -7.618 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.942 -10.118 -6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.607 -9.870 -6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.610 -8.341 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.123 -11.752 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.375 -9.041 -2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.888 -12.451 -2.485 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.508 -11.090 -1.269 1.00 0.00 H new ATOM 1365 N ASN A 89 2.957 -6.107 -6.570 1.00 0.00 N ATOM 1366 CA ASN A 89 4.101 -5.333 -7.024 1.00 0.00 C ATOM 1367 C ASN A 89 4.285 -4.120 -6.110 1.00 0.00 C ATOM 1368 O ASN A 89 3.549 -3.952 -5.138 1.00 0.00 O ATOM 1369 CB ASN A 89 3.890 -4.823 -8.450 1.00 0.00 C ATOM 1370 CG ASN A 89 4.616 -5.712 -9.463 1.00 0.00 C ATOM 1371 OD1 ASN A 89 5.810 -5.597 -9.683 1.00 0.00 O ATOM 1372 ND2 ASN A 89 3.830 -6.599 -10.064 1.00 0.00 N ATOM 0 H ASN A 89 2.269 -5.577 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 89 4.978 -5.980 -6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.824 -4.801 -8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.255 -3.799 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.219 -7.238 -10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.838 -6.641 -9.832 1.00 0.00 H new ATOM 1379 N LYS A 90 5.271 -3.305 -6.454 1.00 0.00 N ATOM 1380 CA LYS A 90 5.563 -2.113 -5.677 1.00 0.00 C ATOM 1381 C LYS A 90 4.490 -1.056 -5.952 1.00 0.00 C ATOM 1382 O LYS A 90 4.024 -0.877 -7.075 1.00 0.00 O ATOM 1383 CB LYS A 90 6.988 -1.628 -5.951 1.00 0.00 C ATOM 1384 CG LYS A 90 7.344 -1.783 -7.431 1.00 0.00 C ATOM 1385 CD LYS A 90 8.252 -2.994 -7.653 1.00 0.00 C ATOM 1386 CE LYS A 90 8.991 -2.888 -8.988 1.00 0.00 C ATOM 1387 NZ LYS A 90 10.383 -3.372 -8.849 1.00 0.00 N ATOM 0 H LYS A 90 5.878 -3.447 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 90 5.528 -2.336 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.083 -0.582 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.692 -2.195 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.432 -1.895 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.842 -0.881 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.973 -3.066 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.657 -3.907 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.470 -3.473 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.992 -1.853 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.871 -3.293 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.881 -2.797 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.376 -4.366 -8.545 1.00 0.00 H new ATOM 1401 N ILE A 91 4.106 -0.352 -4.885 1.00 0.00 N ATOM 1402 CA ILE A 91 3.101 0.688 -4.975 1.00 0.00 C ATOM 1403 C ILE A 91 3.525 1.888 -4.139 1.00 0.00 C ATOM 1404 O ILE A 91 3.588 1.802 -2.915 1.00 0.00 O ATOM 1405 CB ILE A 91 1.759 0.142 -4.496 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.135 -0.711 -5.597 1.00 0.00 C ATOM 1407 CG2 ILE A 91 0.827 1.303 -4.161 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.070 -1.462 -5.036 1.00 0.00 C ATOM 1409 OXT ILE A 91 3.810 2.955 -4.681 1.00 0.00 O ATOM 0 H ILE A 91 4.483 -0.491 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 91 2.997 1.010 -6.011 1.00 0.00 H new ATOM 0 HB ILE A 91 1.912 -0.469 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.828 -0.080 -6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.869 -1.417 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.132 0.913 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.273 1.912 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.673 1.914 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.517 -2.072 -5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.251 -2.105 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.806 -0.747 -4.669 1.00 0.00 H new TER 1421 ILE A 91