USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 71 TYR OH : rot 180:sc= -0.136 USER MOD Set 1.2: A 77 MET CE :methyl 168:sc= -0.0632 (180deg=-0.201) USER MOD Set 2.1: A 15 GLN : amide:sc= 0 X(o=-2.7,f=-2.7) USER MOD Set 2.2: A 72 ASN : amide:sc= -2.67! X(o=-2.7!,f=-2.3) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0396 (180deg=-0.365) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.0917 (180deg=0.0917) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 10 ASN : amide:sc= -0.473 K(o=-0.47,f=-1.9) USER MOD Single : A 11 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.47) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -2.05! (180deg=-3.21!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 24 SER OG : rot -85:sc= 0.0873 USER MOD Single : A 29 THR OG1 : rot 91:sc= -0.477 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.628) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0172) USER MOD Single : A 44 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -0.914 K(o=-0.91,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 54 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 57 GLN : amide:sc= -0.0707 K(o=-0.071,f=-0.83) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 0.319 (180deg=0.159) USER MOD Single : A 67 TYR OH : rot 0:sc= -0.75 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= -2.42 (180deg=-2.42) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= -1.8! (180deg=-2.35!) USER MOD Single : A 89 ASN : amide:sc= -3.63! C(o=-3.6!,f=-8.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.974 -10.542 -9.403 1.00 0.00 N ATOM 2 CA MET A 1 -10.691 -11.450 -8.304 1.00 0.00 C ATOM 3 C MET A 1 -11.850 -11.482 -7.307 1.00 0.00 C ATOM 4 O MET A 1 -12.773 -10.673 -7.395 1.00 0.00 O ATOM 5 CB MET A 1 -9.414 -11.003 -7.589 1.00 0.00 C ATOM 6 CG MET A 1 -8.246 -11.933 -7.920 1.00 0.00 C ATOM 7 SD MET A 1 -8.041 -12.052 -9.689 1.00 0.00 S ATOM 8 CE MET A 1 -6.416 -11.333 -9.862 1.00 0.00 C ATOM 0 H1 MET A 1 -10.172 -10.538 -10.066 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.832 -10.855 -9.900 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.120 -9.582 -9.031 1.00 0.00 H new ATOM 0 HA MET A 1 -10.559 -12.453 -8.710 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.166 -9.983 -7.883 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.581 -10.992 -6.512 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.330 -11.556 -7.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.428 -12.922 -7.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.019 -11.565 -10.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.482 -10.252 -9.742 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.754 -11.743 -9.100 1.00 0.00 H new ATOM 18 N ASP A 2 -11.766 -12.427 -6.382 1.00 0.00 N ATOM 19 CA ASP A 2 -12.797 -12.576 -5.369 1.00 0.00 C ATOM 20 C ASP A 2 -12.235 -12.155 -4.009 1.00 0.00 C ATOM 21 O ASP A 2 -11.379 -12.837 -3.449 1.00 0.00 O ATOM 22 CB ASP A 2 -13.256 -14.032 -5.260 1.00 0.00 C ATOM 23 CG ASP A 2 -12.789 -14.944 -6.397 1.00 0.00 C ATOM 24 OD1 ASP A 2 -11.585 -15.060 -6.668 1.00 0.00 O ATOM 25 OD2 ASP A 2 -13.733 -15.559 -7.025 1.00 0.00 O ATOM 0 H ASP A 2 -11.000 -13.097 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.643 -11.951 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.897 -14.441 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.345 -14.052 -5.222 1.00 0.00 H new ATOM 31 N ILE A 3 -12.740 -11.033 -3.518 1.00 0.00 N ATOM 32 CA ILE A 3 -12.300 -10.512 -2.234 1.00 0.00 C ATOM 33 C ILE A 3 -13.441 -10.630 -1.222 1.00 0.00 C ATOM 34 O ILE A 3 -14.606 -10.454 -1.573 1.00 0.00 O ATOM 35 CB ILE A 3 -11.760 -9.090 -2.390 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.276 -9.104 -2.764 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.027 -8.261 -1.133 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.774 -7.691 -3.070 1.00 0.00 C ATOM 0 H ILE A 3 -13.450 -10.470 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.469 -11.103 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.294 -8.611 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.695 -9.531 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.122 -9.744 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.633 -7.254 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.101 -8.209 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.538 -8.728 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.717 -7.729 -3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.340 -7.276 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.907 -7.060 -2.192 1.00 0.00 H new ATOM 50 N SER A 4 -13.065 -10.926 0.013 1.00 0.00 N ATOM 51 CA SER A 4 -14.043 -11.069 1.078 1.00 0.00 C ATOM 52 C SER A 4 -13.662 -10.176 2.261 1.00 0.00 C ATOM 53 O SER A 4 -12.541 -10.246 2.760 1.00 0.00 O ATOM 54 CB SER A 4 -14.158 -12.527 1.529 1.00 0.00 C ATOM 55 OG SER A 4 -15.511 -12.968 1.569 1.00 0.00 O ATOM 0 H SER A 4 -12.097 -11.071 0.300 1.00 0.00 H new ATOM 0 HA SER A 4 -15.015 -10.758 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.590 -13.162 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.711 -12.637 2.517 1.00 0.00 H new ATOM 0 HG SER A 4 -15.542 -13.903 1.860 1.00 0.00 H new ATOM 61 N ILE A 5 -14.618 -9.357 2.675 1.00 0.00 N ATOM 62 CA ILE A 5 -14.398 -8.452 3.789 1.00 0.00 C ATOM 63 C ILE A 5 -14.537 -9.223 5.103 1.00 0.00 C ATOM 64 O ILE A 5 -15.494 -9.973 5.287 1.00 0.00 O ATOM 65 CB ILE A 5 -15.325 -7.239 3.686 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.303 -6.649 2.275 1.00 0.00 C ATOM 67 CG2 ILE A 5 -14.981 -6.194 4.749 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.944 -6.020 1.965 1.00 0.00 C ATOM 0 H ILE A 5 -15.547 -9.302 2.258 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.384 -8.052 3.760 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.345 -7.572 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.521 -7.430 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.086 -5.897 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.655 -5.342 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.090 -6.634 5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.953 -5.860 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.955 -5.608 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.740 -5.223 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.166 -6.780 2.038 1.00 0.00 H new ATOM 80 N ILE A 6 -13.567 -9.012 5.982 1.00 0.00 N ATOM 81 CA ILE A 6 -13.570 -9.678 7.273 1.00 0.00 C ATOM 82 C ILE A 6 -14.283 -8.794 8.297 1.00 0.00 C ATOM 83 O ILE A 6 -15.272 -9.208 8.900 1.00 0.00 O ATOM 84 CB ILE A 6 -12.147 -10.066 7.679 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.469 -10.889 6.582 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.139 -10.790 9.027 1.00 0.00 C ATOM 87 CD1 ILE A 6 -11.924 -12.349 6.632 1.00 0.00 C ATOM 0 H ILE A 6 -12.774 -8.389 5.825 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.127 -10.613 7.218 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.566 -9.152 7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.704 -10.464 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.387 -10.837 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.115 -11.055 9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.555 -10.136 9.794 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.741 -11.696 8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.427 -12.912 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.666 -12.778 7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.003 -12.399 6.489 1.00 0.00 H new ATOM 99 N SER A 7 -13.753 -7.591 8.463 1.00 0.00 N ATOM 100 CA SER A 7 -14.326 -6.643 9.404 1.00 0.00 C ATOM 101 C SER A 7 -14.253 -5.227 8.831 1.00 0.00 C ATOM 102 O SER A 7 -13.509 -4.974 7.884 1.00 0.00 O ATOM 103 CB SER A 7 -13.608 -6.706 10.754 1.00 0.00 C ATOM 104 OG SER A 7 -13.178 -8.027 11.069 1.00 0.00 O ATOM 0 H SER A 7 -12.933 -7.251 7.962 1.00 0.00 H new ATOM 0 HA SER A 7 -15.371 -6.910 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.746 -6.039 10.738 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.276 -6.346 11.537 1.00 0.00 H new ATOM 0 HG SER A 7 -12.723 -8.025 11.937 1.00 0.00 H new ATOM 110 N ASP A 8 -15.037 -4.341 9.426 1.00 0.00 N ATOM 111 CA ASP A 8 -15.071 -2.956 8.986 1.00 0.00 C ATOM 112 C ASP A 8 -14.999 -2.036 10.206 1.00 0.00 C ATOM 113 O ASP A 8 -16.019 -1.737 10.825 1.00 0.00 O ATOM 114 CB ASP A 8 -16.370 -2.648 8.239 1.00 0.00 C ATOM 115 CG ASP A 8 -17.647 -2.804 9.068 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.740 -3.683 9.937 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.584 -1.964 8.789 1.00 0.00 O ATOM 0 H ASP A 8 -15.654 -4.555 10.210 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.224 -2.793 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.322 -1.626 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.436 -3.304 7.371 1.00 0.00 H new ATOM 123 N ARG A 9 -13.782 -1.611 10.516 1.00 0.00 N ATOM 124 CA ARG A 9 -13.562 -0.731 11.650 1.00 0.00 C ATOM 125 C ARG A 9 -13.329 0.704 11.172 1.00 0.00 C ATOM 126 O ARG A 9 -12.937 0.924 10.027 1.00 0.00 O ATOM 127 CB ARG A 9 -12.359 -1.188 12.476 1.00 0.00 C ATOM 128 CG ARG A 9 -12.808 -1.954 13.722 1.00 0.00 C ATOM 129 CD ARG A 9 -12.426 -1.200 14.998 1.00 0.00 C ATOM 130 NE ARG A 9 -11.990 -2.157 16.039 1.00 0.00 N ATOM 131 CZ ARG A 9 -11.922 -1.863 17.355 1.00 0.00 C ATOM 132 NH1 ARG A 9 -12.264 -0.636 17.802 1.00 0.00 N ATOM 133 NH2 ARG A 9 -11.518 -2.795 18.200 1.00 0.00 N ATOM 0 H ARG A 9 -12.938 -1.861 10.000 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.453 -0.768 12.276 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.715 -1.823 11.867 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.766 -0.322 12.771 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.887 -2.102 13.693 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.350 -2.943 13.729 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.626 -0.491 14.786 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.277 -0.622 15.357 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.724 -3.097 15.744 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.577 0.078 17.144 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.210 -0.423 18.798 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.263 -3.720 17.855 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.461 -2.589 19.197 1.00 0.00 H new ATOM 146 N ASN A 10 -13.580 1.642 12.072 1.00 0.00 N ATOM 147 CA ASN A 10 -13.402 3.049 11.757 1.00 0.00 C ATOM 148 C ASN A 10 -12.585 3.717 12.866 1.00 0.00 C ATOM 149 O ASN A 10 -12.847 3.504 14.048 1.00 0.00 O ATOM 150 CB ASN A 10 -14.750 3.768 11.664 1.00 0.00 C ATOM 151 CG ASN A 10 -14.567 5.285 11.717 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.630 5.843 11.169 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.511 5.921 12.405 1.00 0.00 N ATOM 0 H ASN A 10 -13.906 1.455 13.020 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.890 3.117 10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.251 3.491 10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.395 3.447 12.482 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.478 6.936 12.498 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.268 5.394 12.839 1.00 0.00 H new ATOM 160 N ASN A 11 -11.614 4.512 12.443 1.00 0.00 N ATOM 161 CA ASN A 11 -10.758 5.212 13.386 1.00 0.00 C ATOM 162 C ASN A 11 -10.844 6.718 13.126 1.00 0.00 C ATOM 163 O ASN A 11 -10.089 7.257 12.320 1.00 0.00 O ATOM 164 CB ASN A 11 -9.296 4.789 13.223 1.00 0.00 C ATOM 165 CG ASN A 11 -9.104 3.322 13.614 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.626 2.996 14.688 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.502 2.457 12.685 1.00 0.00 N ATOM 0 H ASN A 11 -11.401 4.687 11.461 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.095 4.966 14.393 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.984 4.938 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.659 5.421 13.842 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.415 1.454 12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.894 2.796 11.807 1.00 0.00 H new ATOM 174 N PRO A 12 -11.798 7.370 13.844 1.00 0.00 N ATOM 175 CA PRO A 12 -11.994 8.803 13.699 1.00 0.00 C ATOM 176 C PRO A 12 -10.882 9.582 14.403 1.00 0.00 C ATOM 177 O PRO A 12 -10.440 10.620 13.912 1.00 0.00 O ATOM 178 CB PRO A 12 -13.370 9.073 14.285 1.00 0.00 C ATOM 179 CG PRO A 12 -13.698 7.868 15.151 1.00 0.00 C ATOM 180 CD PRO A 12 -12.711 6.764 14.808 1.00 0.00 C ATOM 0 HA PRO A 12 -11.946 9.131 12.661 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.370 9.990 14.875 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.112 9.201 13.497 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.629 8.127 16.207 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.720 7.535 14.971 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.179 6.419 15.695 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.218 5.898 14.383 1.00 0.00 H new ATOM 188 N LEU A 13 -10.461 9.053 15.542 1.00 0.00 N ATOM 189 CA LEU A 13 -9.408 9.685 16.318 1.00 0.00 C ATOM 190 C LEU A 13 -8.275 10.110 15.382 1.00 0.00 C ATOM 191 O LEU A 13 -7.977 11.297 15.262 1.00 0.00 O ATOM 192 CB LEU A 13 -8.954 8.767 17.455 1.00 0.00 C ATOM 193 CG LEU A 13 -9.989 8.493 18.548 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.582 7.090 18.402 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.392 8.720 19.938 1.00 0.00 C ATOM 0 H LEU A 13 -10.831 8.193 15.947 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.781 10.589 16.799 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.647 7.813 17.025 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.071 9.206 17.920 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.807 9.203 18.429 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.315 6.921 19.191 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.068 7.000 17.430 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.787 6.349 18.480 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.149 8.518 20.696 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.545 8.050 20.084 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.057 9.753 20.026 1.00 0.00 H new ATOM 207 N LEU A 14 -7.675 9.117 14.743 1.00 0.00 N ATOM 208 CA LEU A 14 -6.581 9.373 13.821 1.00 0.00 C ATOM 209 C LEU A 14 -7.139 9.530 12.406 1.00 0.00 C ATOM 210 O LEU A 14 -6.428 9.308 11.426 1.00 0.00 O ATOM 211 CB LEU A 14 -5.510 8.287 13.944 1.00 0.00 C ATOM 212 CG LEU A 14 -4.884 8.117 15.330 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.348 6.696 15.518 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.808 9.174 15.581 1.00 0.00 C ATOM 0 H LEU A 14 -7.925 8.134 14.845 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.082 10.309 14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.950 7.335 13.647 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.714 8.507 13.232 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.663 8.269 16.077 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.908 6.601 16.511 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.165 5.982 15.413 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.588 6.491 14.764 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.380 9.029 16.573 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.023 9.080 14.830 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.252 10.167 15.519 1.00 0.00 H new ATOM 226 N GLN A 15 -8.407 9.909 12.342 1.00 0.00 N ATOM 227 CA GLN A 15 -9.068 10.096 11.062 1.00 0.00 C ATOM 228 C GLN A 15 -8.612 9.028 10.067 1.00 0.00 C ATOM 229 O GLN A 15 -8.479 9.301 8.875 1.00 0.00 O ATOM 230 CB GLN A 15 -8.812 11.501 10.513 1.00 0.00 C ATOM 231 CG GLN A 15 -10.048 12.389 10.678 1.00 0.00 C ATOM 232 CD GLN A 15 -9.651 13.816 11.057 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.636 14.723 10.241 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.331 13.967 12.340 1.00 0.00 N ATOM 0 H GLN A 15 -8.994 10.092 13.156 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.142 9.990 11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.966 11.950 11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.542 11.440 9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.618 12.401 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.699 11.973 11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.364 13.167 12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.053 14.883 12.692 1.00 0.00 H new ATOM 243 N ARG A 16 -8.387 7.833 10.592 1.00 0.00 N ATOM 244 CA ARG A 16 -7.949 6.722 9.765 1.00 0.00 C ATOM 245 C ARG A 16 -9.069 5.690 9.626 1.00 0.00 C ATOM 246 O ARG A 16 -10.138 5.845 10.213 1.00 0.00 O ATOM 247 CB ARG A 16 -6.713 6.045 10.361 1.00 0.00 C ATOM 248 CG ARG A 16 -5.503 6.981 10.323 1.00 0.00 C ATOM 249 CD ARG A 16 -4.339 6.341 9.564 1.00 0.00 C ATOM 250 NE ARG A 16 -4.113 4.962 10.052 1.00 0.00 N ATOM 251 CZ ARG A 16 -3.457 4.661 11.192 1.00 0.00 C ATOM 252 NH1 ARG A 16 -2.956 5.642 11.974 1.00 0.00 N ATOM 253 NH2 ARG A 16 -3.313 3.394 11.533 1.00 0.00 N ATOM 0 H ARG A 16 -8.500 7.610 11.581 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.693 7.121 8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.917 5.750 11.390 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.490 5.134 9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.780 7.921 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.191 7.220 11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.555 6.327 8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.436 6.936 9.699 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.476 4.191 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.072 6.619 11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.461 5.406 12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.695 2.659 10.938 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.820 3.150 12.392 1.00 0.00 H new ATOM 266 N ARG A 17 -8.786 4.657 8.845 1.00 0.00 N ATOM 267 CA ARG A 17 -9.757 3.600 8.620 1.00 0.00 C ATOM 268 C ARG A 17 -9.065 2.235 8.623 1.00 0.00 C ATOM 269 O ARG A 17 -8.077 2.035 7.915 1.00 0.00 O ATOM 270 CB ARG A 17 -10.485 3.794 7.289 1.00 0.00 C ATOM 271 CG ARG A 17 -11.940 3.331 7.387 1.00 0.00 C ATOM 272 CD ARG A 17 -12.902 4.471 7.053 1.00 0.00 C ATOM 273 NE ARG A 17 -13.947 3.996 6.118 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.143 4.599 5.948 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.456 5.708 6.650 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.000 4.087 5.086 1.00 0.00 N ATOM 0 H ARG A 17 -7.898 4.530 8.360 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.487 3.643 9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.453 4.845 7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.974 3.234 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.107 2.498 6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.141 2.964 8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.363 4.847 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.354 5.301 6.607 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.751 3.160 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.787 6.097 7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.362 6.158 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.755 3.248 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.908 4.530 4.945 1.00 0.00 H new ATOM 289 N GLU A 18 -9.610 1.332 9.423 1.00 0.00 N ATOM 290 CA GLU A 18 -9.057 -0.008 9.526 1.00 0.00 C ATOM 291 C GLU A 18 -10.074 -1.040 9.033 1.00 0.00 C ATOM 292 O GLU A 18 -11.024 -1.368 9.742 1.00 0.00 O ATOM 293 CB GLU A 18 -8.617 -0.312 10.959 1.00 0.00 C ATOM 294 CG GLU A 18 -7.361 0.480 11.327 1.00 0.00 C ATOM 295 CD GLU A 18 -6.581 -0.217 12.443 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.976 -0.142 13.617 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.529 -0.858 12.056 1.00 0.00 O ATOM 0 H GLU A 18 -10.429 1.501 10.007 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.173 -0.065 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.423 -0.065 11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.422 -1.379 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.726 0.590 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.640 1.484 11.646 1.00 0.00 H new ATOM 305 N ILE A 19 -9.838 -1.525 7.823 1.00 0.00 N ATOM 306 CA ILE A 19 -10.721 -2.514 7.227 1.00 0.00 C ATOM 307 C ILE A 19 -9.905 -3.742 6.821 1.00 0.00 C ATOM 308 O ILE A 19 -8.899 -3.619 6.123 1.00 0.00 O ATOM 309 CB ILE A 19 -11.518 -1.896 6.076 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.334 -0.694 6.557 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.395 -2.946 5.392 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.465 -0.372 5.580 1.00 0.00 C ATOM 0 H ILE A 19 -9.048 -1.252 7.239 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.462 -2.850 7.953 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.813 -1.529 5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.749 -0.903 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.682 0.173 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.951 -2.481 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.766 -3.742 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.094 -3.364 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.029 0.486 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.045 -0.140 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.129 -1.233 5.495 1.00 0.00 H new ATOM 324 N LYS A 20 -10.367 -4.898 7.273 1.00 0.00 N ATOM 325 CA LYS A 20 -9.692 -6.147 6.966 1.00 0.00 C ATOM 326 C LYS A 20 -10.506 -6.918 5.925 1.00 0.00 C ATOM 327 O LYS A 20 -11.735 -6.855 5.921 1.00 0.00 O ATOM 328 CB LYS A 20 -9.421 -6.940 8.246 1.00 0.00 C ATOM 329 CG LYS A 20 -8.036 -6.614 8.810 1.00 0.00 C ATOM 330 CD LYS A 20 -7.040 -7.731 8.494 1.00 0.00 C ATOM 331 CE LYS A 20 -6.995 -8.020 6.993 1.00 0.00 C ATOM 332 NZ LYS A 20 -5.731 -8.699 6.632 1.00 0.00 N ATOM 0 H LYS A 20 -11.202 -4.996 7.850 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.713 -5.953 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.184 -6.709 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.491 -8.008 8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.680 -5.674 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.102 -6.475 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.047 -7.447 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.320 -8.636 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.843 -8.644 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.086 -7.088 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.800 -9.068 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.944 -8.021 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.559 -9.486 7.290 1.00 0.00 H new ATOM 345 N PHE A 21 -9.789 -7.629 5.067 1.00 0.00 N ATOM 346 CA PHE A 21 -10.429 -8.412 4.024 1.00 0.00 C ATOM 347 C PHE A 21 -9.484 -9.488 3.487 1.00 0.00 C ATOM 348 O PHE A 21 -8.346 -9.602 3.940 1.00 0.00 O ATOM 349 CB PHE A 21 -10.780 -7.445 2.890 1.00 0.00 C ATOM 350 CG PHE A 21 -9.572 -6.980 2.075 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.268 -7.596 0.900 1.00 0.00 C ATOM 352 CD2 PHE A 21 -8.804 -5.951 2.523 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.148 -7.164 0.143 1.00 0.00 C ATOM 354 CE2 PHE A 21 -7.684 -5.520 1.765 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.379 -6.135 0.591 1.00 0.00 C ATOM 0 H PHE A 21 -8.770 -7.679 5.073 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.313 -8.910 4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.493 -7.928 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.279 -6.572 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.878 -8.413 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.046 -5.462 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.906 -7.652 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.074 -4.703 2.121 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.527 -5.807 0.015 1.00 0.00 H new ATOM 365 N THR A 22 -9.989 -10.250 2.529 1.00 0.00 N ATOM 366 CA THR A 22 -9.204 -11.313 1.925 1.00 0.00 C ATOM 367 C THR A 22 -9.326 -11.266 0.401 1.00 0.00 C ATOM 368 O THR A 22 -10.256 -10.665 -0.134 1.00 0.00 O ATOM 369 CB THR A 22 -9.662 -12.642 2.530 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.725 -12.889 3.574 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.472 -13.818 1.571 1.00 0.00 C ATOM 0 H THR A 22 -10.933 -10.153 2.156 1.00 0.00 H new ATOM 0 HA THR A 22 -8.142 -11.191 2.139 1.00 0.00 H new ATOM 0 HB THR A 22 -10.713 -12.570 2.811 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.948 -13.732 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.812 -14.736 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.051 -13.645 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.417 -13.912 1.315 1.00 0.00 H new ATOM 379 N VAL A 23 -8.371 -11.907 -0.257 1.00 0.00 N ATOM 380 CA VAL A 23 -8.359 -11.946 -1.709 1.00 0.00 C ATOM 381 C VAL A 23 -8.108 -13.382 -2.175 1.00 0.00 C ATOM 382 O VAL A 23 -7.165 -14.029 -1.723 1.00 0.00 O ATOM 383 CB VAL A 23 -7.328 -10.954 -2.250 1.00 0.00 C ATOM 384 CG1 VAL A 23 -5.965 -11.163 -1.588 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.219 -11.052 -3.774 1.00 0.00 C ATOM 0 H VAL A 23 -7.600 -12.404 0.189 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.326 -11.640 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.669 -9.949 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.251 -10.445 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.057 -11.018 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.614 -12.175 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.479 -10.336 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.913 -12.060 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.187 -10.829 -4.223 1.00 0.00 H new ATOM 395 N SER A 24 -8.968 -13.837 -3.073 1.00 0.00 N ATOM 396 CA SER A 24 -8.852 -15.185 -3.605 1.00 0.00 C ATOM 397 C SER A 24 -8.437 -15.133 -5.076 1.00 0.00 C ATOM 398 O SER A 24 -8.891 -14.267 -5.823 1.00 0.00 O ATOM 399 CB SER A 24 -10.167 -15.953 -3.451 1.00 0.00 C ATOM 400 OG SER A 24 -10.319 -16.957 -4.452 1.00 0.00 O ATOM 0 H SER A 24 -9.749 -13.297 -3.446 1.00 0.00 H new ATOM 0 HA SER A 24 -8.086 -15.712 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.203 -16.416 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.003 -15.256 -3.507 1.00 0.00 H new ATOM 0 HG SER A 24 -10.699 -16.557 -5.262 1.00 0.00 H new ATOM 406 N PHE A 25 -7.577 -16.070 -5.450 1.00 0.00 N ATOM 407 CA PHE A 25 -7.096 -16.142 -6.818 1.00 0.00 C ATOM 408 C PHE A 25 -6.175 -17.347 -7.013 1.00 0.00 C ATOM 409 O PHE A 25 -5.529 -17.798 -6.068 1.00 0.00 O ATOM 410 CB PHE A 25 -6.302 -14.860 -7.080 1.00 0.00 C ATOM 411 CG PHE A 25 -4.881 -14.881 -6.512 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.868 -15.429 -7.235 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.632 -14.353 -5.284 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.549 -15.449 -6.708 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.315 -14.373 -4.757 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.300 -14.920 -5.480 1.00 0.00 C ATOM 0 H PHE A 25 -7.201 -16.786 -4.828 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.937 -16.248 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.250 -14.690 -8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.842 -14.016 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.066 -15.849 -8.210 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.437 -13.918 -4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.744 -15.884 -7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.118 -13.954 -3.781 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.297 -14.934 -5.079 1.00 0.00 H new ATOM 426 N ASP A 26 -6.142 -17.834 -8.245 1.00 0.00 N ATOM 427 CA ASP A 26 -5.311 -18.979 -8.575 1.00 0.00 C ATOM 428 C ASP A 26 -4.509 -18.673 -9.842 1.00 0.00 C ATOM 429 O ASP A 26 -4.989 -18.893 -10.953 1.00 0.00 O ATOM 430 CB ASP A 26 -6.164 -20.221 -8.845 1.00 0.00 C ATOM 431 CG ASP A 26 -7.413 -20.349 -7.969 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.471 -19.806 -6.856 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.367 -21.051 -8.481 1.00 0.00 O ATOM 0 H ASP A 26 -6.678 -17.456 -9.027 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.652 -19.171 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.471 -20.212 -9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.545 -21.107 -8.702 1.00 0.00 H new ATOM 439 N ALA A 27 -3.301 -18.170 -9.632 1.00 0.00 N ATOM 440 CA ALA A 27 -2.429 -17.831 -10.743 1.00 0.00 C ATOM 441 C ALA A 27 -1.316 -16.906 -10.248 1.00 0.00 C ATOM 442 O ALA A 27 -0.167 -17.326 -10.117 1.00 0.00 O ATOM 443 CB ALA A 27 -3.254 -17.202 -11.867 1.00 0.00 C ATOM 0 H ALA A 27 -2.906 -17.989 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.957 -18.727 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.599 -16.948 -12.700 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.011 -17.911 -12.203 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.741 -16.299 -11.499 1.00 0.00 H new ATOM 449 N ALA A 28 -1.696 -15.664 -9.987 1.00 0.00 N ATOM 450 CA ALA A 28 -0.744 -14.675 -9.509 1.00 0.00 C ATOM 451 C ALA A 28 -1.505 -13.483 -8.925 1.00 0.00 C ATOM 452 O ALA A 28 -2.537 -13.079 -9.458 1.00 0.00 O ATOM 453 CB ALA A 28 0.188 -14.269 -10.652 1.00 0.00 C ATOM 0 H ALA A 28 -2.650 -15.320 -10.097 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.123 -15.091 -8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.902 -13.527 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.726 -15.146 -11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.399 -13.844 -11.466 1.00 0.00 H new ATOM 459 N THR A 29 -0.964 -12.952 -7.838 1.00 0.00 N ATOM 460 CA THR A 29 -1.578 -11.814 -7.176 1.00 0.00 C ATOM 461 C THR A 29 -1.265 -10.523 -7.935 1.00 0.00 C ATOM 462 O THR A 29 -0.169 -10.362 -8.470 1.00 0.00 O ATOM 463 CB THR A 29 -1.098 -11.796 -5.723 1.00 0.00 C ATOM 464 OG1 THR A 29 -2.166 -11.176 -5.012 1.00 0.00 O ATOM 465 CG2 THR A 29 0.088 -10.853 -5.509 1.00 0.00 C ATOM 0 H THR A 29 -0.107 -13.289 -7.399 1.00 0.00 H new ATOM 0 HA THR A 29 -2.665 -11.897 -7.173 1.00 0.00 H new ATOM 0 HB THR A 29 -0.818 -12.805 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.792 -11.862 -4.698 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.389 -10.878 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.923 -11.171 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.201 -9.837 -5.779 1.00 0.00 H new ATOM 473 N PRO A 30 -2.274 -9.611 -7.959 1.00 0.00 N ATOM 474 CA PRO A 30 -2.117 -8.339 -8.644 1.00 0.00 C ATOM 475 C PRO A 30 -1.230 -7.388 -7.838 1.00 0.00 C ATOM 476 O PRO A 30 -0.497 -7.820 -6.949 1.00 0.00 O ATOM 477 CB PRO A 30 -3.532 -7.816 -8.831 1.00 0.00 C ATOM 478 CG PRO A 30 -4.394 -8.581 -7.839 1.00 0.00 C ATOM 479 CD PRO A 30 -3.585 -9.766 -7.336 1.00 0.00 C ATOM 0 HA PRO A 30 -1.613 -8.438 -9.605 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.580 -6.743 -8.644 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.876 -7.977 -9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.684 -7.937 -7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.314 -8.921 -8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.510 -9.761 -6.249 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.049 -10.711 -7.619 1.00 0.00 H new ATOM 487 N SER A 31 -1.326 -6.111 -8.175 1.00 0.00 N ATOM 488 CA SER A 31 -0.541 -5.095 -7.495 1.00 0.00 C ATOM 489 C SER A 31 -1.407 -4.370 -6.461 1.00 0.00 C ATOM 490 O SER A 31 -2.558 -4.743 -6.239 1.00 0.00 O ATOM 491 CB SER A 31 0.046 -4.093 -8.490 1.00 0.00 C ATOM 492 OG SER A 31 0.921 -4.721 -9.424 1.00 0.00 O ATOM 0 H SER A 31 -1.936 -5.756 -8.911 1.00 0.00 H new ATOM 0 HA SER A 31 0.288 -5.588 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.763 -3.598 -9.027 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.589 -3.319 -7.948 1.00 0.00 H new ATOM 0 HG SER A 31 1.275 -4.049 -10.044 1.00 0.00 H new ATOM 498 N ILE A 32 -0.820 -3.347 -5.858 1.00 0.00 N ATOM 499 CA ILE A 32 -1.523 -2.567 -4.853 1.00 0.00 C ATOM 500 C ILE A 32 -2.590 -1.708 -5.537 1.00 0.00 C ATOM 501 O ILE A 32 -3.770 -1.794 -5.199 1.00 0.00 O ATOM 502 CB ILE A 32 -0.533 -1.762 -4.011 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.753 -2.554 -3.769 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.176 -1.300 -2.701 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.566 -1.946 -2.625 1.00 0.00 C ATOM 0 H ILE A 32 0.134 -3.040 -6.046 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.040 -3.223 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.259 -0.867 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.507 -3.590 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.353 -2.567 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.451 -0.730 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.039 -0.672 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.497 -2.169 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.475 -2.529 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.831 -0.918 -2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.972 -1.957 -1.711 1.00 0.00 H new ATOM 517 N LYS A 33 -2.138 -0.902 -6.485 1.00 0.00 N ATOM 518 CA LYS A 33 -3.040 -0.028 -7.217 1.00 0.00 C ATOM 519 C LYS A 33 -4.061 -0.878 -7.975 1.00 0.00 C ATOM 520 O LYS A 33 -5.252 -0.569 -7.978 1.00 0.00 O ATOM 521 CB LYS A 33 -2.248 0.926 -8.114 1.00 0.00 C ATOM 522 CG LYS A 33 -2.152 2.317 -7.483 1.00 0.00 C ATOM 523 CD LYS A 33 -0.821 2.495 -6.748 1.00 0.00 C ATOM 524 CE LYS A 33 -0.971 2.180 -5.258 1.00 0.00 C ATOM 525 NZ LYS A 33 -0.596 3.355 -4.440 1.00 0.00 N ATOM 0 H LYS A 33 -1.159 -0.835 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.599 0.606 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.247 0.528 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.729 0.997 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.249 3.079 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.978 2.462 -6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.068 1.841 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.466 3.518 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.000 1.893 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.341 1.330 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.374 3.047 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.238 3.816 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.388 4.029 -4.416 1.00 0.00 H new ATOM 538 N ASP A 34 -3.559 -1.933 -8.601 1.00 0.00 N ATOM 539 CA ASP A 34 -4.414 -2.830 -9.360 1.00 0.00 C ATOM 540 C ASP A 34 -5.487 -3.409 -8.436 1.00 0.00 C ATOM 541 O ASP A 34 -6.608 -3.673 -8.870 1.00 0.00 O ATOM 542 CB ASP A 34 -3.610 -3.995 -9.941 1.00 0.00 C ATOM 543 CG ASP A 34 -3.963 -4.369 -11.383 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.085 -4.455 -12.254 1.00 0.00 O ATOM 545 OD2 ASP A 34 -5.217 -4.578 -11.600 1.00 0.00 O ATOM 0 H ASP A 34 -2.571 -2.186 -8.598 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.863 -2.261 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.550 -3.744 -9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.758 -4.870 -9.308 1.00 0.00 H new ATOM 551 N VAL A 35 -5.106 -3.591 -7.181 1.00 0.00 N ATOM 552 CA VAL A 35 -6.021 -4.134 -6.192 1.00 0.00 C ATOM 553 C VAL A 35 -6.978 -3.033 -5.729 1.00 0.00 C ATOM 554 O VAL A 35 -8.184 -3.252 -5.636 1.00 0.00 O ATOM 555 CB VAL A 35 -5.235 -4.766 -5.042 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.118 -4.941 -3.805 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.617 -6.099 -5.468 1.00 0.00 C ATOM 0 H VAL A 35 -4.175 -3.372 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.627 -4.928 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.422 -4.089 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.535 -5.392 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.488 -3.968 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.961 -5.587 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.064 -6.527 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.407 -6.786 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.939 -5.935 -6.306 1.00 0.00 H new ATOM 567 N LYS A 36 -6.402 -1.872 -5.451 1.00 0.00 N ATOM 568 CA LYS A 36 -7.188 -0.736 -4.999 1.00 0.00 C ATOM 569 C LYS A 36 -8.382 -0.544 -5.936 1.00 0.00 C ATOM 570 O LYS A 36 -9.433 -0.061 -5.517 1.00 0.00 O ATOM 571 CB LYS A 36 -6.305 0.506 -4.865 1.00 0.00 C ATOM 572 CG LYS A 36 -6.552 1.481 -6.020 1.00 0.00 C ATOM 573 CD LYS A 36 -5.342 2.393 -6.234 1.00 0.00 C ATOM 574 CE LYS A 36 -5.695 3.852 -5.940 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.868 4.761 -6.762 1.00 0.00 N ATOM 0 H LYS A 36 -5.401 -1.694 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.590 -0.922 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.509 1.001 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.256 0.211 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.758 0.924 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.435 2.085 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.524 2.076 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.990 2.300 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.751 4.025 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.538 4.064 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.121 5.747 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.863 4.607 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.038 4.569 -7.770 1.00 0.00 H new ATOM 588 N MET A 37 -8.181 -0.931 -7.187 1.00 0.00 N ATOM 589 CA MET A 37 -9.229 -0.808 -8.186 1.00 0.00 C ATOM 590 C MET A 37 -10.531 -1.446 -7.697 1.00 0.00 C ATOM 591 O MET A 37 -11.566 -0.784 -7.636 1.00 0.00 O ATOM 592 CB MET A 37 -8.782 -1.487 -9.482 1.00 0.00 C ATOM 593 CG MET A 37 -7.718 -0.654 -10.200 1.00 0.00 C ATOM 594 SD MET A 37 -8.231 -0.321 -11.876 1.00 0.00 S ATOM 595 CE MET A 37 -9.060 1.242 -11.643 1.00 0.00 C ATOM 0 H MET A 37 -7.308 -1.330 -7.532 1.00 0.00 H new ATOM 0 HA MET A 37 -9.411 0.252 -8.365 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.384 -2.477 -9.259 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.641 -1.629 -10.137 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.558 0.283 -9.667 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.767 -1.187 -10.201 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.445 1.596 -12.599 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.887 1.115 -10.944 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.356 1.971 -11.243 1.00 0.00 H new ATOM 605 N LYS A 38 -10.436 -2.725 -7.363 1.00 0.00 N ATOM 606 CA LYS A 38 -11.594 -3.459 -6.881 1.00 0.00 C ATOM 607 C LYS A 38 -11.898 -3.039 -5.442 1.00 0.00 C ATOM 608 O LYS A 38 -13.042 -2.734 -5.110 1.00 0.00 O ATOM 609 CB LYS A 38 -11.380 -4.965 -7.050 1.00 0.00 C ATOM 610 CG LYS A 38 -10.429 -5.257 -8.213 1.00 0.00 C ATOM 611 CD LYS A 38 -9.005 -5.502 -7.708 1.00 0.00 C ATOM 612 CE LYS A 38 -8.661 -6.992 -7.744 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.738 -7.575 -6.385 1.00 0.00 N ATOM 0 H LYS A 38 -9.576 -3.271 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.474 -3.215 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.974 -5.384 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.338 -5.454 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.779 -6.130 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.433 -4.419 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.297 -4.946 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.907 -5.127 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.349 -7.514 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.659 -7.130 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.452 -8.574 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.102 -7.055 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.714 -7.506 -6.032 1.00 0.00 H new ATOM 626 N LEU A 39 -10.853 -3.036 -4.627 1.00 0.00 N ATOM 627 CA LEU A 39 -10.993 -2.658 -3.232 1.00 0.00 C ATOM 628 C LEU A 39 -11.724 -1.317 -3.142 1.00 0.00 C ATOM 629 O LEU A 39 -12.480 -1.079 -2.202 1.00 0.00 O ATOM 630 CB LEU A 39 -9.631 -2.664 -2.535 1.00 0.00 C ATOM 631 CG LEU A 39 -9.147 -4.021 -2.021 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.704 -3.933 -1.521 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.092 -4.571 -0.950 1.00 0.00 C ATOM 0 H LEU A 39 -9.906 -3.290 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.601 -3.389 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.887 -2.275 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.673 -1.973 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.158 -4.726 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.383 -4.911 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.055 -3.616 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.644 -3.209 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.725 -5.536 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.136 -3.876 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.089 -4.693 -1.373 1.00 0.00 H new ATOM 645 N VAL A 40 -11.473 -0.475 -4.134 1.00 0.00 N ATOM 646 CA VAL A 40 -12.097 0.836 -4.179 1.00 0.00 C ATOM 647 C VAL A 40 -13.614 0.670 -4.302 1.00 0.00 C ATOM 648 O VAL A 40 -14.374 1.347 -3.610 1.00 0.00 O ATOM 649 CB VAL A 40 -11.494 1.664 -5.316 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.495 2.700 -5.831 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.191 2.333 -4.873 1.00 0.00 C ATOM 0 H VAL A 40 -10.846 -0.676 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.902 1.383 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.262 0.987 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.041 3.275 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.385 2.192 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.773 3.372 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.782 2.916 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.389 2.992 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.472 1.569 -4.577 1.00 0.00 H new ATOM 661 N ALA A 41 -14.009 -0.234 -5.186 1.00 0.00 N ATOM 662 CA ALA A 41 -15.420 -0.498 -5.407 1.00 0.00 C ATOM 663 C ALA A 41 -15.978 -1.295 -4.226 1.00 0.00 C ATOM 664 O ALA A 41 -17.155 -1.175 -3.892 1.00 0.00 O ATOM 665 CB ALA A 41 -15.601 -1.226 -6.740 1.00 0.00 C ATOM 0 H ALA A 41 -13.376 -0.793 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.979 0.436 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.660 -1.424 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.217 -0.604 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.055 -2.169 -6.717 1.00 0.00 H new ATOM 671 N VAL A 42 -15.104 -2.092 -3.628 1.00 0.00 N ATOM 672 CA VAL A 42 -15.494 -2.909 -2.492 1.00 0.00 C ATOM 673 C VAL A 42 -15.681 -2.015 -1.265 1.00 0.00 C ATOM 674 O VAL A 42 -16.724 -2.058 -0.614 1.00 0.00 O ATOM 675 CB VAL A 42 -14.467 -4.021 -2.270 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.794 -4.828 -1.011 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.370 -4.932 -3.495 1.00 0.00 C ATOM 0 H VAL A 42 -14.128 -2.189 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.448 -3.399 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.494 -3.552 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.048 -5.612 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.786 -4.168 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.781 -5.280 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.633 -5.713 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.341 -5.388 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.067 -4.345 -4.362 1.00 0.00 H new ATOM 687 N LEU A 43 -14.655 -1.224 -0.987 1.00 0.00 N ATOM 688 CA LEU A 43 -14.693 -0.320 0.150 1.00 0.00 C ATOM 689 C LEU A 43 -15.619 0.855 -0.169 1.00 0.00 C ATOM 690 O LEU A 43 -16.205 1.452 0.733 1.00 0.00 O ATOM 691 CB LEU A 43 -13.277 0.103 0.545 1.00 0.00 C ATOM 692 CG LEU A 43 -12.295 -1.032 0.841 1.00 0.00 C ATOM 693 CD1 LEU A 43 -10.965 -0.484 1.363 1.00 0.00 C ATOM 694 CD2 LEU A 43 -12.911 -2.053 1.800 1.00 0.00 C ATOM 0 H LEU A 43 -13.792 -1.190 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.106 -0.824 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.864 0.713 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.342 0.739 1.427 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.084 -1.554 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.285 -1.311 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.523 0.174 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.138 0.077 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.193 -2.849 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.170 -1.561 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.810 -2.477 1.352 1.00 0.00 H new ATOM 706 N ASN A 44 -15.726 1.152 -1.456 1.00 0.00 N ATOM 707 CA ASN A 44 -16.571 2.244 -1.906 1.00 0.00 C ATOM 708 C ASN A 44 -16.204 3.517 -1.139 1.00 0.00 C ATOM 709 O ASN A 44 -17.047 4.106 -0.466 1.00 0.00 O ATOM 710 CB ASN A 44 -18.048 1.943 -1.641 1.00 0.00 C ATOM 711 CG ASN A 44 -18.937 2.579 -2.710 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.472 3.177 -3.666 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.240 2.417 -2.497 1.00 0.00 N ATOM 0 H ASN A 44 -15.240 0.654 -2.202 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.415 2.371 -2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.206 0.865 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.329 2.320 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.916 2.805 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.563 1.905 -1.676 1.00 0.00 H new ATOM 720 N ALA A 45 -14.942 3.902 -1.267 1.00 0.00 N ATOM 721 CA ALA A 45 -14.453 5.094 -0.594 1.00 0.00 C ATOM 722 C ALA A 45 -13.625 5.925 -1.577 1.00 0.00 C ATOM 723 O ALA A 45 -13.572 5.615 -2.766 1.00 0.00 O ATOM 724 CB ALA A 45 -13.653 4.688 0.646 1.00 0.00 C ATOM 0 H ALA A 45 -14.245 3.410 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.284 5.714 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.286 5.582 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.294 4.125 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.808 4.068 0.347 1.00 0.00 H new ATOM 730 N ASN A 46 -12.998 6.963 -1.042 1.00 0.00 N ATOM 731 CA ASN A 46 -12.175 7.840 -1.858 1.00 0.00 C ATOM 732 C ASN A 46 -10.960 7.063 -2.369 1.00 0.00 C ATOM 733 O ASN A 46 -10.007 6.833 -1.626 1.00 0.00 O ATOM 734 CB ASN A 46 -11.665 9.030 -1.042 1.00 0.00 C ATOM 735 CG ASN A 46 -11.442 10.251 -1.936 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.602 10.205 -3.145 1.00 0.00 O ATOM 737 ND2 ASN A 46 -11.065 11.344 -1.277 1.00 0.00 N ATOM 0 H ASN A 46 -13.043 7.216 -0.055 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.785 8.203 -2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.384 9.274 -0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.732 8.763 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.892 12.211 -1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.949 11.314 -0.264 1.00 0.00 H new ATOM 744 N LYS A 47 -11.035 6.678 -3.635 1.00 0.00 N ATOM 745 CA LYS A 47 -9.954 5.931 -4.254 1.00 0.00 C ATOM 746 C LYS A 47 -8.702 6.809 -4.315 1.00 0.00 C ATOM 747 O LYS A 47 -7.584 6.299 -4.363 1.00 0.00 O ATOM 748 CB LYS A 47 -10.390 5.388 -5.617 1.00 0.00 C ATOM 749 CG LYS A 47 -10.710 6.528 -6.586 1.00 0.00 C ATOM 750 CD LYS A 47 -9.466 6.941 -7.376 1.00 0.00 C ATOM 751 CE LYS A 47 -9.221 5.991 -8.550 1.00 0.00 C ATOM 752 NZ LYS A 47 -8.443 6.668 -9.611 1.00 0.00 N ATOM 0 H LYS A 47 -11.827 6.869 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.703 5.057 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.599 4.764 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.267 4.753 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.495 6.215 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.094 7.384 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.588 7.959 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.597 6.943 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.684 5.108 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.174 5.648 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.286 6.009 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.970 7.497 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.526 6.974 -9.227 1.00 0.00 H new ATOM 765 N GLN A 48 -8.932 8.113 -4.309 1.00 0.00 N ATOM 766 CA GLN A 48 -7.838 9.067 -4.363 1.00 0.00 C ATOM 767 C GLN A 48 -6.925 8.897 -3.147 1.00 0.00 C ATOM 768 O GLN A 48 -5.704 8.839 -3.285 1.00 0.00 O ATOM 769 CB GLN A 48 -8.363 10.501 -4.457 1.00 0.00 C ATOM 770 CG GLN A 48 -9.032 10.752 -5.810 1.00 0.00 C ATOM 771 CD GLN A 48 -8.816 12.197 -6.268 1.00 0.00 C ATOM 772 OE1 GLN A 48 -8.815 13.130 -5.483 1.00 0.00 O ATOM 773 NE2 GLN A 48 -8.636 12.327 -7.579 1.00 0.00 N ATOM 0 H GLN A 48 -9.861 8.532 -4.268 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.255 8.869 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.078 10.684 -3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.541 11.203 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.626 10.066 -6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.100 10.546 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.649 11.503 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.485 13.251 -7.984 1.00 0.00 H new ATOM 782 N VAL A 49 -7.552 8.821 -1.982 1.00 0.00 N ATOM 783 CA VAL A 49 -6.812 8.658 -0.743 1.00 0.00 C ATOM 784 C VAL A 49 -7.058 7.253 -0.188 1.00 0.00 C ATOM 785 O VAL A 49 -7.521 7.099 0.941 1.00 0.00 O ATOM 786 CB VAL A 49 -7.192 9.764 0.242 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.699 11.127 -0.247 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.702 9.784 0.491 1.00 0.00 C ATOM 0 H VAL A 49 -8.565 8.869 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.741 8.754 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.700 9.550 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.982 11.896 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.614 11.107 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.149 11.351 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.944 10.580 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.224 9.961 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.015 8.826 0.905 1.00 0.00 H new ATOM 798 N LEU A 50 -6.736 6.263 -1.008 1.00 0.00 N ATOM 799 CA LEU A 50 -6.916 4.876 -0.613 1.00 0.00 C ATOM 800 C LEU A 50 -5.677 4.072 -1.013 1.00 0.00 C ATOM 801 O LEU A 50 -5.167 4.221 -2.122 1.00 0.00 O ATOM 802 CB LEU A 50 -8.221 4.320 -1.187 1.00 0.00 C ATOM 803 CG LEU A 50 -8.425 2.811 -1.050 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.893 2.478 -0.776 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.890 2.071 -2.278 1.00 0.00 C ATOM 0 H LEU A 50 -6.352 6.394 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.012 4.798 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.054 4.825 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.268 4.578 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.850 2.466 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.010 1.398 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.208 2.958 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.508 2.840 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.048 1.000 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.417 2.415 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.824 2.271 -2.387 1.00 0.00 H new ATOM 817 N VAL A 51 -5.229 3.237 -0.087 1.00 0.00 N ATOM 818 CA VAL A 51 -4.061 2.408 -0.328 1.00 0.00 C ATOM 819 C VAL A 51 -4.146 1.149 0.536 1.00 0.00 C ATOM 820 O VAL A 51 -5.033 1.028 1.378 1.00 0.00 O ATOM 821 CB VAL A 51 -2.786 3.218 -0.081 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.684 2.820 -1.065 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.068 4.720 -0.152 1.00 0.00 C ATOM 0 H VAL A 51 -5.655 3.117 0.832 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.030 2.085 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.435 2.990 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.789 3.410 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.454 1.761 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.023 3.004 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.145 5.272 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.455 4.971 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.804 4.988 0.606 1.00 0.00 H new ATOM 833 N VAL A 52 -3.209 0.242 0.298 1.00 0.00 N ATOM 834 CA VAL A 52 -3.167 -1.004 1.044 1.00 0.00 C ATOM 835 C VAL A 52 -1.996 -0.965 2.028 1.00 0.00 C ATOM 836 O VAL A 52 -0.991 -0.301 1.777 1.00 0.00 O ATOM 837 CB VAL A 52 -3.098 -2.190 0.078 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.281 -3.337 0.677 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.500 -2.660 -0.313 1.00 0.00 C ATOM 0 H VAL A 52 -2.473 0.346 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.078 -1.131 1.628 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.592 -1.856 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.247 -4.167 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.267 -2.993 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.746 -3.669 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.423 -3.503 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.043 -2.968 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.035 -1.844 -0.799 1.00 0.00 H new ATOM 849 N ASP A 53 -2.165 -1.684 3.127 1.00 0.00 N ATOM 850 CA ASP A 53 -1.135 -1.740 4.150 1.00 0.00 C ATOM 851 C ASP A 53 -0.167 -2.882 3.832 1.00 0.00 C ATOM 852 O ASP A 53 1.036 -2.662 3.699 1.00 0.00 O ATOM 853 CB ASP A 53 -1.742 -2.006 5.530 1.00 0.00 C ATOM 854 CG ASP A 53 -1.595 -0.861 6.532 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.056 -1.041 7.634 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.070 0.273 6.139 1.00 0.00 O ATOM 0 H ASP A 53 -3.000 -2.233 3.332 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.620 -0.780 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.802 -2.228 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.276 -2.898 5.949 1.00 0.00 H new ATOM 862 N THR A 54 -0.728 -4.077 3.719 1.00 0.00 N ATOM 863 CA THR A 54 0.070 -5.253 3.418 1.00 0.00 C ATOM 864 C THR A 54 -0.835 -6.447 3.112 1.00 0.00 C ATOM 865 O THR A 54 -2.012 -6.448 3.471 1.00 0.00 O ATOM 866 CB THR A 54 1.017 -5.495 4.596 1.00 0.00 C ATOM 867 OG1 THR A 54 2.212 -4.813 4.225 1.00 0.00 O ATOM 868 CG2 THR A 54 1.444 -6.959 4.712 1.00 0.00 C ATOM 0 H THR A 54 -1.726 -4.256 3.831 1.00 0.00 H new ATOM 0 HA THR A 54 0.673 -5.104 2.522 1.00 0.00 H new ATOM 0 HB THR A 54 0.533 -5.184 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.034 -3.851 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.115 -7.076 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.563 -7.585 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.959 -7.261 3.800 1.00 0.00 H new ATOM 876 N LEU A 55 -0.252 -7.437 2.451 1.00 0.00 N ATOM 877 CA LEU A 55 -0.992 -8.636 2.093 1.00 0.00 C ATOM 878 C LEU A 55 -0.136 -9.868 2.397 1.00 0.00 C ATOM 879 O LEU A 55 1.044 -9.744 2.721 1.00 0.00 O ATOM 880 CB LEU A 55 -1.464 -8.559 0.640 1.00 0.00 C ATOM 881 CG LEU A 55 -2.745 -9.328 0.309 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.865 -8.374 -0.111 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.481 -10.403 -0.747 1.00 0.00 C ATOM 0 H LEU A 55 0.724 -7.433 2.154 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.897 -8.720 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.617 -7.511 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.665 -8.931 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.080 -9.839 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.764 -8.947 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.075 -7.679 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.555 -7.816 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.407 -10.935 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.109 -9.934 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.738 -11.107 -0.372 1.00 0.00 H new ATOM 895 N ASP A 56 -0.766 -11.028 2.281 1.00 0.00 N ATOM 896 CA ASP A 56 -0.077 -12.282 2.540 1.00 0.00 C ATOM 897 C ASP A 56 -0.857 -13.429 1.896 1.00 0.00 C ATOM 898 O ASP A 56 -2.071 -13.530 2.065 1.00 0.00 O ATOM 899 CB ASP A 56 0.018 -12.559 4.042 1.00 0.00 C ATOM 900 CG ASP A 56 1.431 -12.490 4.624 1.00 0.00 C ATOM 901 OD1 ASP A 56 2.415 -12.315 3.891 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.500 -12.624 5.905 1.00 0.00 O ATOM 0 H ASP A 56 -1.745 -11.126 2.012 1.00 0.00 H new ATOM 0 HA ASP A 56 0.927 -12.207 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.611 -11.842 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.392 -13.549 4.240 1.00 0.00 H new ATOM 908 N GLN A 57 -0.128 -14.265 1.172 1.00 0.00 N ATOM 909 CA GLN A 57 -0.736 -15.402 0.502 1.00 0.00 C ATOM 910 C GLN A 57 -1.034 -16.514 1.509 1.00 0.00 C ATOM 911 O GLN A 57 -0.237 -16.771 2.410 1.00 0.00 O ATOM 912 CB GLN A 57 0.156 -15.912 -0.631 1.00 0.00 C ATOM 913 CG GLN A 57 -0.617 -16.855 -1.556 1.00 0.00 C ATOM 914 CD GLN A 57 0.287 -17.973 -2.079 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.503 -17.874 -2.081 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.373 -19.040 -2.521 1.00 0.00 N ATOM 0 H GLN A 57 0.879 -14.178 1.035 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.678 -15.077 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.540 -15.068 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.018 -16.432 -0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.461 -17.287 -1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.027 -16.292 -2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.392 -19.058 -2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.140 -19.840 -2.890 1.00 0.00 H new ATOM 925 N ILE A 58 -2.184 -17.146 1.322 1.00 0.00 N ATOM 926 CA ILE A 58 -2.597 -18.225 2.204 1.00 0.00 C ATOM 927 C ILE A 58 -2.022 -19.546 1.688 1.00 0.00 C ATOM 928 O ILE A 58 -2.123 -19.850 0.501 1.00 0.00 O ATOM 929 CB ILE A 58 -4.119 -18.236 2.360 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.640 -16.850 2.748 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.559 -19.313 3.354 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.806 -16.248 3.880 1.00 0.00 C ATOM 0 H ILE A 58 -2.842 -16.932 0.573 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.198 -18.072 3.207 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.561 -18.487 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.611 -16.191 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.682 -16.923 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.645 -19.300 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.237 -20.291 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.109 -19.116 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.197 -15.263 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.856 -16.897 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.769 -16.154 3.557 1.00 0.00 H new ATOM 944 N PHE A 59 -1.431 -20.296 2.607 1.00 0.00 N ATOM 945 CA PHE A 59 -0.840 -21.577 2.260 1.00 0.00 C ATOM 946 C PHE A 59 -1.916 -22.654 2.110 1.00 0.00 C ATOM 947 O PHE A 59 -1.913 -23.409 1.139 1.00 0.00 O ATOM 948 CB PHE A 59 0.096 -21.963 3.408 1.00 0.00 C ATOM 949 CG PHE A 59 0.673 -23.375 3.291 1.00 0.00 C ATOM 950 CD1 PHE A 59 0.222 -24.365 4.109 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.638 -23.642 2.370 1.00 0.00 C ATOM 952 CE1 PHE A 59 0.758 -25.675 4.001 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.174 -24.952 2.262 1.00 0.00 C ATOM 954 CZ PHE A 59 1.723 -25.941 3.080 1.00 0.00 C ATOM 0 H PHE A 59 -1.349 -20.041 3.591 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.309 -21.498 1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.918 -21.248 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.447 -21.880 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.544 -24.154 4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.996 -22.857 1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.400 -26.460 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.940 -25.164 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.131 -26.938 2.998 1.00 0.00 H new ATOM 964 N GLY A 60 -2.811 -22.692 3.086 1.00 0.00 N ATOM 965 CA GLY A 60 -3.890 -23.665 3.075 1.00 0.00 C ATOM 966 C GLY A 60 -4.414 -23.886 1.654 1.00 0.00 C ATOM 967 O GLY A 60 -4.521 -25.023 1.199 1.00 0.00 O ATOM 0 H GLY A 60 -2.811 -22.064 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.537 -24.610 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.701 -23.321 3.716 1.00 0.00 H new ATOM 971 N LYS A 61 -4.725 -22.781 0.994 1.00 0.00 N ATOM 972 CA LYS A 61 -5.235 -22.839 -0.366 1.00 0.00 C ATOM 973 C LYS A 61 -4.597 -21.723 -1.194 1.00 0.00 C ATOM 974 O LYS A 61 -3.485 -21.285 -0.901 1.00 0.00 O ATOM 975 CB LYS A 61 -6.765 -22.809 -0.366 1.00 0.00 C ATOM 976 CG LYS A 61 -7.286 -21.429 0.038 1.00 0.00 C ATOM 977 CD LYS A 61 -8.779 -21.294 -0.271 1.00 0.00 C ATOM 978 CE LYS A 61 -9.625 -21.621 0.960 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.908 -20.885 0.918 1.00 0.00 N ATOM 0 H LYS A 61 -4.634 -21.839 1.375 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.958 -23.782 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.137 -23.066 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.147 -23.562 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.116 -21.269 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.730 -20.657 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.994 -20.279 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.047 -21.963 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.815 -22.693 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.078 -21.358 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.305 -20.824 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.746 -19.926 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.576 -21.387 0.299 1.00 0.00 H new ATOM 992 N LEU A 62 -5.329 -21.292 -2.211 1.00 0.00 N ATOM 993 CA LEU A 62 -4.849 -20.234 -3.083 1.00 0.00 C ATOM 994 C LEU A 62 -5.471 -18.903 -2.654 1.00 0.00 C ATOM 995 O LEU A 62 -5.848 -18.090 -3.497 1.00 0.00 O ATOM 996 CB LEU A 62 -5.108 -20.589 -4.549 1.00 0.00 C ATOM 997 CG LEU A 62 -4.279 -21.744 -5.116 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.144 -22.671 -5.971 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.065 -21.221 -5.885 1.00 0.00 C ATOM 0 H LEU A 62 -6.251 -21.657 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.768 -20.126 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.164 -20.836 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.922 -19.702 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.901 -22.335 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.531 -23.483 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.947 -23.084 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.571 -22.108 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.493 -22.062 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.400 -20.593 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.435 -20.635 -5.216 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.557 -18.723 -1.345 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.127 -17.505 -0.794 1.00 0.00 C ATOM 1013 C GLU A 63 -5.017 -16.510 -0.448 1.00 0.00 C ATOM 1014 O GLU A 63 -3.835 -16.842 -0.522 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.990 -17.809 0.432 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.333 -17.078 0.351 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.268 -17.758 -0.650 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -8.862 -18.035 -1.789 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.456 -18.000 -0.209 1.00 0.00 O ATOM 0 H GLU A 63 -5.242 -19.399 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.771 -17.055 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.160 -18.883 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.462 -17.508 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.800 -17.059 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.170 -16.042 0.055 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.437 -15.308 -0.078 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.494 -14.263 0.280 1.00 0.00 C ATOM 1029 C ALA A 64 -5.200 -13.219 1.147 1.00 0.00 C ATOM 1030 O ALA A 64 -6.186 -12.618 0.723 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.898 -13.656 -0.993 1.00 0.00 C ATOM 0 H ALA A 64 -6.418 -15.035 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.670 -14.673 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.190 -12.872 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.383 -14.432 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.696 -13.232 -1.602 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.668 -13.036 2.347 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.236 -12.076 3.278 1.00 0.00 C ATOM 1039 C GLU A 65 -4.401 -10.794 3.291 1.00 0.00 C ATOM 1040 O GLU A 65 -3.177 -10.844 3.179 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.346 -12.674 4.683 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.336 -11.881 5.539 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.902 -11.867 7.007 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.073 -11.034 7.400 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.460 -12.764 7.748 1.00 0.00 O ATOM 0 H GLU A 65 -3.850 -13.536 2.696 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.244 -11.827 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.668 -13.713 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.366 -12.674 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.407 -10.859 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.330 -12.321 5.454 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.097 -9.674 3.432 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.436 -8.381 3.462 1.00 0.00 C ATOM 1055 C GLY A 66 -5.292 -7.344 4.192 1.00 0.00 C ATOM 1056 O GLY A 66 -6.494 -7.538 4.367 1.00 0.00 O ATOM 0 H GLY A 66 -6.112 -9.636 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.470 -8.474 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.241 -8.045 2.444 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.640 -6.265 4.598 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.326 -5.197 5.304 1.00 0.00 C ATOM 1062 C TYR A 67 -5.298 -3.898 4.496 1.00 0.00 C ATOM 1063 O TYR A 67 -4.247 -3.491 4.004 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.553 -4.989 6.608 1.00 0.00 C ATOM 1065 CG TYR A 67 -4.700 -3.586 7.202 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -3.616 -2.971 7.793 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.917 -2.938 7.145 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -3.754 -1.651 8.351 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.055 -1.618 7.704 1.00 0.00 C ATOM 1070 CZ TYR A 67 -4.967 -1.039 8.280 1.00 0.00 C ATOM 1071 OH TYR A 67 -5.098 0.208 8.808 1.00 0.00 O ATOM 0 H TYR A 67 -3.643 -6.107 4.451 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.370 -5.459 5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.894 -5.720 7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.496 -5.187 6.428 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.664 -3.479 7.837 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.765 -3.420 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.913 -1.158 8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.001 -1.099 7.667 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.241 0.495 9.186 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.467 -3.283 4.384 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.589 -2.039 3.643 1.00 0.00 C ATOM 1083 C ALA A 68 -6.708 -0.874 4.628 1.00 0.00 C ATOM 1084 O ALA A 68 -7.535 -0.908 5.539 1.00 0.00 O ATOM 1085 CB ALA A 68 -7.786 -2.125 2.695 1.00 0.00 C ATOM 0 H ALA A 68 -7.337 -3.623 4.794 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.702 -1.867 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.878 -1.192 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.639 -2.950 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.695 -2.295 3.272 1.00 0.00 H new ATOM 1091 N LYS A 69 -5.870 0.129 4.413 1.00 0.00 N ATOM 1092 CA LYS A 69 -5.870 1.302 5.271 1.00 0.00 C ATOM 1093 C LYS A 69 -6.269 2.529 4.449 1.00 0.00 C ATOM 1094 O LYS A 69 -5.894 2.648 3.283 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.522 1.448 5.979 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.588 2.526 7.064 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.322 3.913 6.475 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.838 4.272 6.565 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.000 3.066 6.373 1.00 0.00 N ATOM 0 H LYS A 69 -5.186 0.154 3.657 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.610 1.194 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.236 0.495 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.751 1.705 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.569 2.510 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.855 2.310 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.643 3.937 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.913 4.658 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.592 5.017 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.624 4.720 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.995 3.327 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.224 2.367 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.192 2.655 5.437 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.025 3.410 5.088 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.479 4.623 4.430 1.00 0.00 C ATOM 1114 C ILE A 70 -7.306 5.809 5.381 1.00 0.00 C ATOM 1115 O ILE A 70 -7.633 5.714 6.563 1.00 0.00 O ATOM 1116 CB ILE A 70 -8.909 4.451 3.916 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -8.981 3.358 2.849 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.475 5.782 3.413 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.318 2.616 2.912 1.00 0.00 C ATOM 0 H ILE A 70 -7.334 3.308 6.055 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.871 4.829 3.549 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.534 4.129 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.853 3.800 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.162 2.652 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.493 5.632 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.481 6.506 4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.854 6.157 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.342 1.844 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.432 2.154 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.133 3.320 2.746 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.790 6.898 4.830 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.569 8.101 5.615 1.00 0.00 C ATOM 1133 C TYR A 71 -7.484 9.235 5.149 1.00 0.00 C ATOM 1134 O TYR A 71 -8.096 9.148 4.085 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.114 8.503 5.370 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.641 8.283 3.932 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.963 7.129 3.597 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.891 9.240 2.970 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.518 6.922 2.243 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -4.447 9.035 1.616 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.782 7.886 1.319 1.00 0.00 C ATOM 1142 OH TYR A 71 -3.362 7.690 0.040 1.00 0.00 O ATOM 0 H TYR A 71 -6.519 6.973 3.850 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.780 7.916 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.991 9.556 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.473 7.935 6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.766 6.381 4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.420 10.144 3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.987 6.023 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.637 9.776 0.854 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.620 8.459 -0.511 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.549 10.275 5.968 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.377 11.425 5.652 1.00 0.00 C ATOM 1154 C ASN A 72 -7.721 12.231 4.529 1.00 0.00 C ATOM 1155 O ASN A 72 -8.340 12.482 3.496 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.530 12.344 6.866 1.00 0.00 C ATOM 1157 CG ASN A 72 -9.974 12.353 7.371 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -10.659 13.363 7.354 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.398 11.175 7.817 1.00 0.00 N ATOM 0 H ASN A 72 -7.041 10.344 6.850 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.358 11.059 5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.865 12.012 7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.228 13.357 6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.349 11.077 8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.773 10.369 7.803 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.474 12.613 4.769 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.727 13.384 3.790 1.00 0.00 C ATOM 1168 C ASP A 73 -4.231 13.130 3.984 1.00 0.00 C ATOM 1169 O ASP A 73 -3.783 12.852 5.096 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.978 14.884 3.963 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.204 15.339 5.405 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -5.286 15.304 6.238 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -7.399 15.752 5.666 1.00 0.00 O ATOM 0 H ASP A 73 -5.963 12.403 5.627 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.053 13.076 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.127 15.429 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.849 15.162 3.369 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.498 13.235 2.884 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.062 13.019 2.919 1.00 0.00 C ATOM 1181 C GLU A 74 -1.405 13.981 3.913 1.00 0.00 C ATOM 1182 O GLU A 74 -0.294 13.733 4.380 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.451 13.172 1.524 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.160 12.267 0.515 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.546 13.047 -0.744 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -1.746 13.138 -1.687 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -3.726 13.569 -0.721 1.00 0.00 O ATOM 0 H GLU A 74 -3.872 13.467 1.964 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.875 11.998 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.525 14.211 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.390 12.924 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.509 11.435 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.053 11.839 0.970 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.119 15.056 4.207 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.621 16.055 5.136 1.00 0.00 C ATOM 1197 C LYS A 75 -1.389 15.405 6.502 1.00 0.00 C ATOM 1198 O LYS A 75 -0.319 15.553 7.090 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.561 17.262 5.182 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.476 18.072 3.888 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.468 19.216 4.019 1.00 0.00 C ATOM 1202 CE LYS A 75 -0.034 18.683 4.031 1.00 0.00 C ATOM 1203 NZ LYS A 75 0.897 19.689 3.476 1.00 0.00 N ATOM 0 H LYS A 75 -3.040 15.258 3.818 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.660 16.442 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.586 16.924 5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.303 17.896 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.185 17.419 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.458 18.475 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.594 19.913 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.661 19.772 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.258 18.432 5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.024 17.764 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.866 19.311 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.627 19.909 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.854 20.555 4.050 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.409 14.699 6.966 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.330 14.025 8.250 1.00 0.00 C ATOM 1218 C ALA A 76 -1.451 12.780 8.116 1.00 0.00 C ATOM 1219 O ALA A 76 -0.502 12.599 8.878 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.740 13.692 8.741 1.00 0.00 C ATOM 0 H ALA A 76 -3.295 14.579 6.475 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.870 14.674 8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.680 13.186 9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.314 14.612 8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.232 13.040 8.019 1.00 0.00 H new ATOM 1226 N MET A 77 -1.797 11.953 7.140 1.00 0.00 N ATOM 1227 CA MET A 77 -1.051 10.730 6.894 1.00 0.00 C ATOM 1228 C MET A 77 0.450 11.014 6.797 1.00 0.00 C ATOM 1229 O MET A 77 1.252 10.367 7.467 1.00 0.00 O ATOM 1230 CB MET A 77 -1.536 10.089 5.593 1.00 0.00 C ATOM 1231 CG MET A 77 -0.445 9.214 4.973 1.00 0.00 C ATOM 1232 SD MET A 77 -1.175 8.018 3.867 1.00 0.00 S ATOM 1233 CE MET A 77 -0.597 8.651 2.302 1.00 0.00 C ATOM 0 H MET A 77 -2.584 12.106 6.510 1.00 0.00 H new ATOM 0 HA MET A 77 -1.219 10.049 7.728 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.423 9.486 5.789 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.828 10.867 4.887 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.267 9.836 4.430 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.112 8.703 5.758 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.779 7.912 1.521 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.130 9.571 2.062 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.471 8.857 2.365 1.00 0.00 H new ATOM 1243 N ALA A 78 0.783 11.982 5.955 1.00 0.00 N ATOM 1244 CA ALA A 78 2.172 12.358 5.761 1.00 0.00 C ATOM 1245 C ALA A 78 2.846 12.526 7.124 1.00 0.00 C ATOM 1246 O ALA A 78 4.052 12.319 7.254 1.00 0.00 O ATOM 1247 CB ALA A 78 2.243 13.631 4.915 1.00 0.00 C ATOM 0 H ALA A 78 0.115 12.516 5.400 1.00 0.00 H new ATOM 0 HA ALA A 78 2.709 11.577 5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.286 13.913 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.777 13.450 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.717 14.437 5.426 1.00 0.00 H new ATOM 1253 N THR A 79 2.039 12.901 8.106 1.00 0.00 N ATOM 1254 CA THR A 79 2.543 13.099 9.455 1.00 0.00 C ATOM 1255 C THR A 79 2.305 11.847 10.301 1.00 0.00 C ATOM 1256 O THR A 79 3.255 11.191 10.725 1.00 0.00 O ATOM 1257 CB THR A 79 1.880 14.353 10.027 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.523 15.427 9.345 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.232 14.583 11.497 1.00 0.00 C ATOM 0 H THR A 79 1.040 13.073 7.995 1.00 0.00 H new ATOM 0 HA THR A 79 3.622 13.254 9.456 1.00 0.00 H new ATOM 0 HB THR A 79 0.798 14.272 9.921 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.152 16.280 9.654 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.735 15.486 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.901 13.729 12.088 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.311 14.698 11.599 1.00 0.00 H new ATOM 1267 N ILE A 80 1.032 11.554 10.523 1.00 0.00 N ATOM 1268 CA ILE A 80 0.658 10.392 11.312 1.00 0.00 C ATOM 1269 C ILE A 80 1.513 9.196 10.887 1.00 0.00 C ATOM 1270 O ILE A 80 2.419 8.788 11.611 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.847 10.138 11.212 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.629 11.139 12.065 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -1.185 8.691 11.573 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -3.122 10.801 12.077 1.00 0.00 C ATOM 0 H ILE A 80 0.247 12.101 10.170 1.00 0.00 H new ATOM 0 HA ILE A 80 0.858 10.569 12.369 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.151 10.290 10.176 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.243 11.133 13.084 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.484 12.146 11.675 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.261 8.538 11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.671 8.016 10.889 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.864 8.486 12.594 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.655 11.528 12.690 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.510 10.831 11.059 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.266 9.803 12.490 1.00 0.00 H new ATOM 1286 N GLU A 81 1.193 8.668 9.714 1.00 0.00 N ATOM 1287 CA GLU A 81 1.920 7.527 9.184 1.00 0.00 C ATOM 1288 C GLU A 81 3.428 7.756 9.303 1.00 0.00 C ATOM 1289 O GLU A 81 3.866 8.846 9.669 1.00 0.00 O ATOM 1290 CB GLU A 81 1.520 7.248 7.735 1.00 0.00 C ATOM 1291 CG GLU A 81 0.259 6.384 7.669 1.00 0.00 C ATOM 1292 CD GLU A 81 -1.001 7.242 7.796 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -1.126 8.022 8.752 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -1.869 7.079 6.856 1.00 0.00 O ATOM 0 H GLU A 81 0.440 9.009 9.116 1.00 0.00 H new ATOM 0 HA GLU A 81 1.659 6.648 9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.347 8.190 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.337 6.744 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.237 5.837 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.280 5.642 8.467 1.00 0.00 H new ATOM 1302 N THR A 82 4.179 6.712 8.987 1.00 0.00 N ATOM 1303 CA THR A 82 5.630 6.786 9.053 1.00 0.00 C ATOM 1304 C THR A 82 6.244 6.437 7.696 1.00 0.00 C ATOM 1305 O THR A 82 5.577 5.861 6.838 1.00 0.00 O ATOM 1306 CB THR A 82 6.098 5.872 10.186 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.399 4.651 9.959 1.00 0.00 O ATOM 1308 CG2 THR A 82 5.601 6.335 11.557 1.00 0.00 C ATOM 0 H THR A 82 3.811 5.810 8.685 1.00 0.00 H new ATOM 0 HA THR A 82 5.965 7.799 9.274 1.00 0.00 H new ATOM 0 HB THR A 82 7.187 5.830 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.645 4.000 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.962 5.651 12.325 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.975 7.338 11.760 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.511 6.346 11.564 1.00 0.00 H new ATOM 1316 N LYS A 83 7.509 6.801 7.545 1.00 0.00 N ATOM 1317 CA LYS A 83 8.222 6.533 6.306 1.00 0.00 C ATOM 1318 C LYS A 83 8.005 5.073 5.904 1.00 0.00 C ATOM 1319 O LYS A 83 8.069 4.734 4.724 1.00 0.00 O ATOM 1320 CB LYS A 83 9.695 6.922 6.442 1.00 0.00 C ATOM 1321 CG LYS A 83 10.447 5.923 7.324 1.00 0.00 C ATOM 1322 CD LYS A 83 10.664 6.488 8.729 1.00 0.00 C ATOM 1323 CE LYS A 83 11.980 7.264 8.811 1.00 0.00 C ATOM 1324 NZ LYS A 83 11.719 8.701 9.047 1.00 0.00 N ATOM 0 H LYS A 83 8.059 7.279 8.259 1.00 0.00 H new ATOM 0 HA LYS A 83 7.827 7.148 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.157 6.961 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.773 7.921 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.885 4.991 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.409 5.685 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.834 7.143 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.671 5.675 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.596 6.863 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.542 7.137 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.622 9.214 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.149 9.083 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.202 8.818 9.942 1.00 0.00 H new ATOM 1337 N SER A 84 7.753 4.247 6.909 1.00 0.00 N ATOM 1338 CA SER A 84 7.526 2.831 6.674 1.00 0.00 C ATOM 1339 C SER A 84 6.245 2.633 5.863 1.00 0.00 C ATOM 1340 O SER A 84 6.186 1.768 4.990 1.00 0.00 O ATOM 1341 CB SER A 84 7.443 2.060 7.994 1.00 0.00 C ATOM 1342 OG SER A 84 8.293 0.917 7.999 1.00 0.00 O ATOM 0 H SER A 84 7.701 4.531 7.887 1.00 0.00 H new ATOM 0 HA SER A 84 8.371 2.439 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.718 2.720 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.413 1.747 8.167 1.00 0.00 H new ATOM 0 HG SER A 84 8.213 0.453 8.859 1.00 0.00 H new ATOM 1348 N VAL A 85 5.250 3.449 6.179 1.00 0.00 N ATOM 1349 CA VAL A 85 3.973 3.374 5.490 1.00 0.00 C ATOM 1350 C VAL A 85 4.112 3.993 4.098 1.00 0.00 C ATOM 1351 O VAL A 85 3.993 3.297 3.091 1.00 0.00 O ATOM 1352 CB VAL A 85 2.884 4.040 6.333 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.663 4.389 5.478 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.488 3.154 7.517 1.00 0.00 C ATOM 0 H VAL A 85 5.302 4.165 6.903 1.00 0.00 H new ATOM 0 HA VAL A 85 3.672 2.335 5.356 1.00 0.00 H new ATOM 0 HB VAL A 85 3.291 4.970 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.904 4.861 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.959 5.075 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.255 3.479 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.712 3.651 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.110 2.201 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.360 2.979 8.148 1.00 0.00 H new ATOM 1364 N LEU A 86 4.364 5.294 4.086 1.00 0.00 N ATOM 1365 CA LEU A 86 4.522 6.014 2.834 1.00 0.00 C ATOM 1366 C LEU A 86 5.484 5.246 1.926 1.00 0.00 C ATOM 1367 O LEU A 86 5.440 5.390 0.705 1.00 0.00 O ATOM 1368 CB LEU A 86 4.947 7.460 3.097 1.00 0.00 C ATOM 1369 CG LEU A 86 3.823 8.436 3.450 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.573 7.688 3.916 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.292 9.465 4.481 1.00 0.00 C ATOM 0 H LEU A 86 4.463 5.868 4.923 1.00 0.00 H new ATOM 0 HA LEU A 86 3.569 6.077 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.672 7.462 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.461 7.834 2.211 1.00 0.00 H new ATOM 0 HG LEU A 86 3.553 8.985 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.790 8.405 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.226 7.029 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.811 7.096 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.473 10.146 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.607 8.952 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.130 10.031 4.075 1.00 0.00 H new ATOM 1383 N GLU A 87 6.331 4.446 2.557 1.00 0.00 N ATOM 1384 CA GLU A 87 7.303 3.655 1.821 1.00 0.00 C ATOM 1385 C GLU A 87 6.597 2.769 0.793 1.00 0.00 C ATOM 1386 O GLU A 87 7.012 2.700 -0.362 1.00 0.00 O ATOM 1387 CB GLU A 87 8.159 2.816 2.772 1.00 0.00 C ATOM 1388 CG GLU A 87 9.572 3.390 2.887 1.00 0.00 C ATOM 1389 CD GLU A 87 10.606 2.425 2.301 1.00 0.00 C ATOM 1390 OE1 GLU A 87 11.113 2.659 1.193 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.877 1.403 3.039 1.00 0.00 O ATOM 0 H GLU A 87 6.364 4.328 3.570 1.00 0.00 H new ATOM 0 HA GLU A 87 7.969 4.335 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.693 2.787 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.208 1.788 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.624 4.345 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.805 3.586 3.934 1.00 0.00 H new ATOM 1399 N LYS A 88 5.541 2.112 1.251 1.00 0.00 N ATOM 1400 CA LYS A 88 4.772 1.234 0.385 1.00 0.00 C ATOM 1401 C LYS A 88 4.153 2.054 -0.747 1.00 0.00 C ATOM 1402 O LYS A 88 4.028 1.571 -1.872 1.00 0.00 O ATOM 1403 CB LYS A 88 3.748 0.441 1.200 1.00 0.00 C ATOM 1404 CG LYS A 88 2.614 1.345 1.686 1.00 0.00 C ATOM 1405 CD LYS A 88 2.392 1.185 3.191 1.00 0.00 C ATOM 1406 CE LYS A 88 1.787 -0.183 3.513 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.436 -0.271 4.948 1.00 0.00 N ATOM 0 H LYS A 88 5.200 2.170 2.211 1.00 0.00 H new ATOM 0 HA LYS A 88 5.422 0.492 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.339 -0.365 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.239 -0.023 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.850 2.385 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.696 1.102 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.340 1.300 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.730 1.973 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.897 -0.346 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.496 -0.970 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.204 -1.256 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.243 0.045 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.614 0.336 5.142 1.00 0.00 H new ATOM 1420 N ASN A 89 3.783 3.282 -0.413 1.00 0.00 N ATOM 1421 CA ASN A 89 3.180 4.175 -1.388 1.00 0.00 C ATOM 1422 C ASN A 89 4.277 4.774 -2.270 1.00 0.00 C ATOM 1423 O ASN A 89 4.444 5.993 -2.316 1.00 0.00 O ATOM 1424 CB ASN A 89 2.443 5.325 -0.700 1.00 0.00 C ATOM 1425 CG ASN A 89 0.998 4.938 -0.381 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.096 5.088 -1.188 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.830 4.432 0.838 1.00 0.00 N ATOM 0 H ASN A 89 3.889 3.680 0.520 1.00 0.00 H new ATOM 0 HA ASN A 89 2.471 3.598 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.962 5.596 0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.454 6.205 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.098 4.142 1.146 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.629 4.334 1.464 1.00 0.00 H new ATOM 1434 N LYS A 90 4.998 3.893 -2.947 1.00 0.00 N ATOM 1435 CA LYS A 90 6.073 4.321 -3.825 1.00 0.00 C ATOM 1436 C LYS A 90 5.492 5.152 -4.969 1.00 0.00 C ATOM 1437 O LYS A 90 4.334 4.975 -5.344 1.00 0.00 O ATOM 1438 CB LYS A 90 6.894 3.117 -4.293 1.00 0.00 C ATOM 1439 CG LYS A 90 8.376 3.302 -3.964 1.00 0.00 C ATOM 1440 CD LYS A 90 9.173 2.038 -4.294 1.00 0.00 C ATOM 1441 CE LYS A 90 9.408 1.916 -5.801 1.00 0.00 C ATOM 1442 NZ LYS A 90 10.801 1.497 -6.076 1.00 0.00 N ATOM 0 H LYS A 90 4.858 2.883 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 90 6.771 4.964 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.522 2.211 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.770 2.984 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.775 4.145 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.490 3.543 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.131 2.061 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.636 1.161 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.713 1.191 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.207 2.872 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.944 1.419 -7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.459 2.203 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.980 0.575 -5.631 1.00 0.00 H new ATOM 1455 N ILE A 91 6.323 6.041 -5.494 1.00 0.00 N ATOM 1456 CA ILE A 91 5.905 6.900 -6.590 1.00 0.00 C ATOM 1457 C ILE A 91 5.592 6.041 -7.816 1.00 0.00 C ATOM 1458 O ILE A 91 4.427 5.783 -8.117 1.00 0.00 O ATOM 1459 CB ILE A 91 6.953 7.984 -6.849 1.00 0.00 C ATOM 1460 CG1 ILE A 91 7.237 8.790 -5.580 1.00 0.00 C ATOM 1461 CG2 ILE A 91 6.537 8.880 -8.017 1.00 0.00 C ATOM 1462 CD1 ILE A 91 6.051 9.691 -5.228 1.00 0.00 C ATOM 0 H ILE A 91 7.283 6.185 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 91 4.988 7.430 -6.331 1.00 0.00 H new ATOM 0 HB ILE A 91 7.885 7.496 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.442 8.112 -4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.131 9.398 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.299 9.642 -8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.429 8.276 -8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 91 5.587 9.361 -7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.278 10.253 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.864 10.384 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.165 9.078 -5.062 1.00 0.00 H new ATOM 1474 N GLU A 92 6.652 5.620 -8.490 1.00 0.00 N ATOM 1475 CA GLU A 92 6.504 4.794 -9.677 1.00 0.00 C ATOM 1476 C GLU A 92 6.422 3.316 -9.288 1.00 0.00 C ATOM 1477 O GLU A 92 6.721 2.951 -8.152 1.00 0.00 O ATOM 1478 CB GLU A 92 7.650 5.040 -10.661 1.00 0.00 C ATOM 1479 CG GLU A 92 7.114 5.312 -12.068 1.00 0.00 C ATOM 1480 CD GLU A 92 7.178 6.804 -12.398 1.00 0.00 C ATOM 1481 OE1 GLU A 92 6.427 7.601 -11.817 1.00 0.00 O ATOM 1482 OE2 GLU A 92 8.047 7.128 -13.296 1.00 0.00 O ATOM 0 H GLU A 92 7.617 5.835 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 92 5.575 5.070 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.247 5.888 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.310 4.173 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.695 4.749 -12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.084 4.963 -12.143 1.00 0.00 H new ATOM 1490 N GLU A 93 6.015 2.505 -10.254 1.00 0.00 N ATOM 1491 CA GLU A 93 5.890 1.076 -10.027 1.00 0.00 C ATOM 1492 C GLU A 93 7.043 0.328 -10.699 1.00 0.00 C ATOM 1493 O GLU A 93 7.913 0.945 -11.313 1.00 0.00 O ATOM 1494 CB GLU A 93 4.538 0.558 -10.524 1.00 0.00 C ATOM 1495 CG GLU A 93 4.357 0.843 -12.017 1.00 0.00 C ATOM 1496 CD GLU A 93 3.392 -0.159 -12.652 1.00 0.00 C ATOM 1497 OE1 GLU A 93 3.078 -1.191 -12.041 1.00 0.00 O ATOM 1498 OE2 GLU A 93 2.962 0.166 -13.824 1.00 0.00 O ATOM 0 H GLU A 93 5.768 2.811 -11.195 1.00 0.00 H new ATOM 0 HA GLU A 93 5.941 0.893 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.467 -0.515 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.734 1.030 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.978 1.856 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.323 0.793 -12.520 1.00 0.00 H new ATOM 1506 N GLU A 94 7.014 -0.989 -10.561 1.00 0.00 N ATOM 1507 CA GLU A 94 8.047 -1.826 -11.147 1.00 0.00 C ATOM 1508 C GLU A 94 7.664 -2.220 -12.575 1.00 0.00 C ATOM 1509 O GLU A 94 6.756 -1.632 -13.162 1.00 0.00 O ATOM 1510 CB GLU A 94 8.300 -3.065 -10.286 1.00 0.00 C ATOM 1511 CG GLU A 94 7.101 -4.015 -10.323 1.00 0.00 C ATOM 1512 CD GLU A 94 7.274 -5.156 -9.319 1.00 0.00 C ATOM 1513 OE1 GLU A 94 8.066 -5.034 -8.372 1.00 0.00 O ATOM 1514 OE2 GLU A 94 6.551 -6.199 -9.549 1.00 0.00 O ATOM 0 H GLU A 94 6.291 -1.497 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 94 8.974 -1.254 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.190 -3.584 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.497 -2.763 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.188 -3.463 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.987 -4.424 -11.327 1.00 0.00 H new ATOM 1522 N ALA A 95 8.374 -3.211 -13.092 1.00 0.00 N ATOM 1523 CA ALA A 95 8.120 -3.690 -14.440 1.00 0.00 C ATOM 1524 C ALA A 95 9.145 -4.768 -14.795 1.00 0.00 C ATOM 1525 O ALA A 95 9.981 -4.570 -15.677 1.00 0.00 O ATOM 1526 CB ALA A 95 8.154 -2.511 -15.415 1.00 0.00 C ATOM 0 H ALA A 95 9.126 -3.696 -12.602 1.00 0.00 H new ATOM 0 HA ALA A 95 7.130 -4.141 -14.507 1.00 0.00 H new ATOM 0 HB1 ALA A 95 7.964 -2.870 -16.427 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.389 -1.787 -15.137 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.134 -2.036 -15.377 1.00 0.00 H new ATOM 1532 N GLU A 96 9.048 -5.887 -14.092 1.00 0.00 N ATOM 1533 CA GLU A 96 9.956 -6.998 -14.321 1.00 0.00 C ATOM 1534 C GLU A 96 9.906 -7.429 -15.788 1.00 0.00 C ATOM 1535 O GLU A 96 10.899 -7.320 -16.506 1.00 0.00 O ATOM 1536 CB GLU A 96 9.633 -8.170 -13.393 1.00 0.00 C ATOM 1537 CG GLU A 96 9.867 -7.792 -11.929 1.00 0.00 C ATOM 1538 CD GLU A 96 9.644 -8.994 -11.009 1.00 0.00 C ATOM 1539 OE1 GLU A 96 10.375 -9.991 -11.106 1.00 0.00 O ATOM 1540 OE2 GLU A 96 8.673 -8.867 -10.171 1.00 0.00 O ATOM 0 H GLU A 96 8.353 -6.048 -13.363 1.00 0.00 H new ATOM 0 HA GLU A 96 10.970 -6.667 -14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.595 -8.473 -13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.254 -9.027 -13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.883 -7.418 -11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.193 -6.983 -11.646 1.00 0.00 H new ATOM 1548 N ALA A 97 8.739 -7.911 -16.190 1.00 0.00 N ATOM 1549 CA ALA A 97 8.547 -8.360 -17.560 1.00 0.00 C ATOM 1550 C ALA A 97 7.065 -8.666 -17.787 1.00 0.00 C ATOM 1551 O ALA A 97 6.301 -8.800 -16.833 1.00 0.00 O ATOM 1552 CB ALA A 97 9.441 -9.571 -17.830 1.00 0.00 C ATOM 0 H ALA A 97 7.917 -8.001 -15.592 1.00 0.00 H new ATOM 0 HA ALA A 97 8.835 -7.580 -18.265 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.297 -9.908 -18.857 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.485 -9.293 -17.682 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.179 -10.377 -17.144 1.00 0.00 H new ATOM 1558 N GLU A 98 6.704 -8.769 -19.058 1.00 0.00 N ATOM 1559 CA GLU A 98 5.328 -9.057 -19.424 1.00 0.00 C ATOM 1560 C GLU A 98 4.737 -10.108 -18.482 1.00 0.00 C ATOM 1561 O GLU A 98 3.661 -9.908 -17.920 1.00 0.00 O ATOM 1562 CB GLU A 98 5.231 -9.511 -20.882 1.00 0.00 C ATOM 1563 CG GLU A 98 4.441 -8.503 -21.719 1.00 0.00 C ATOM 1564 CD GLU A 98 4.483 -8.871 -23.203 1.00 0.00 C ATOM 1565 OE1 GLU A 98 3.433 -9.146 -23.804 1.00 0.00 O ATOM 1566 OE2 GLU A 98 5.659 -8.864 -23.734 1.00 0.00 O ATOM 0 H GLU A 98 7.341 -8.658 -19.847 1.00 0.00 H new ATOM 0 HA GLU A 98 4.747 -8.140 -19.324 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.232 -9.629 -21.297 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.749 -10.487 -20.931 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.406 -8.473 -21.377 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.853 -7.504 -21.576 1.00 0.00 H new ATOM 1574 N VAL A 99 5.467 -11.204 -18.338 1.00 0.00 N ATOM 1575 CA VAL A 99 5.028 -12.287 -17.473 1.00 0.00 C ATOM 1576 C VAL A 99 5.368 -11.943 -16.021 1.00 0.00 C ATOM 1577 O VAL A 99 6.112 -10.999 -15.760 1.00 0.00 O ATOM 1578 CB VAL A 99 5.646 -13.608 -17.936 1.00 0.00 C ATOM 1579 CG1 VAL A 99 5.180 -13.967 -19.348 1.00 0.00 C ATOM 1580 CG2 VAL A 99 7.173 -13.556 -17.859 1.00 0.00 C ATOM 0 H VAL A 99 6.359 -11.366 -18.805 1.00 0.00 H new ATOM 0 HA VAL A 99 3.947 -12.411 -17.533 1.00 0.00 H new ATOM 0 HB VAL A 99 5.303 -14.392 -17.261 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.634 -14.910 -19.652 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.095 -14.067 -19.359 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.479 -13.180 -20.041 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.587 -14.507 -18.194 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.542 -12.755 -18.499 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.479 -13.369 -16.830 1.00 0.00 H new ATOM 1590 N ALA A 100 4.806 -12.729 -15.115 1.00 0.00 N ATOM 1591 CA ALA A 100 5.040 -12.520 -13.696 1.00 0.00 C ATOM 1592 C ALA A 100 5.737 -13.750 -13.112 1.00 0.00 C ATOM 1593 O ALA A 100 6.854 -13.654 -12.606 1.00 0.00 O ATOM 1594 CB ALA A 100 3.712 -12.217 -12.999 1.00 0.00 C ATOM 0 H ALA A 100 4.190 -13.511 -15.335 1.00 0.00 H new ATOM 0 HA ALA A 100 5.695 -11.663 -13.537 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.887 -12.060 -11.935 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.271 -11.318 -13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.030 -13.056 -13.135 1.00 0.00 H new ATOM 1600 N GLU A 101 5.048 -14.879 -13.200 1.00 0.00 N ATOM 1601 CA GLU A 101 5.587 -16.127 -12.687 1.00 0.00 C ATOM 1602 C GLU A 101 5.687 -16.074 -11.160 1.00 0.00 C ATOM 1603 O GLU A 101 5.534 -15.011 -10.562 1.00 0.00 O ATOM 1604 CB GLU A 101 6.948 -16.436 -13.314 1.00 0.00 C ATOM 1605 CG GLU A 101 7.250 -17.934 -13.261 1.00 0.00 C ATOM 1606 CD GLU A 101 8.202 -18.343 -14.386 1.00 0.00 C ATOM 1607 OE1 GLU A 101 9.342 -17.856 -14.440 1.00 0.00 O ATOM 1608 OE2 GLU A 101 7.722 -19.198 -15.224 1.00 0.00 O ATOM 0 H GLU A 101 4.121 -14.955 -13.619 1.00 0.00 H new ATOM 0 HA GLU A 101 4.906 -16.933 -12.960 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.961 -16.096 -14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.728 -15.886 -12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.692 -18.185 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.321 -18.499 -13.343 1.00 0.00 H new ATOM 1616 N GLU A 102 5.942 -17.235 -10.576 1.00 0.00 N ATOM 1617 CA GLU A 102 6.064 -17.335 -9.131 1.00 0.00 C ATOM 1618 C GLU A 102 6.848 -16.142 -8.581 1.00 0.00 C ATOM 1619 O GLU A 102 8.042 -16.252 -8.308 1.00 0.00 O ATOM 1620 CB GLU A 102 6.720 -18.657 -8.727 1.00 0.00 C ATOM 1621 CG GLU A 102 5.798 -19.840 -9.023 1.00 0.00 C ATOM 1622 CD GLU A 102 6.267 -20.603 -10.264 1.00 0.00 C ATOM 1623 OE1 GLU A 102 5.951 -20.203 -11.394 1.00 0.00 O ATOM 1624 OE2 GLU A 102 6.986 -21.646 -10.023 1.00 0.00 O ATOM 0 H GLU A 102 6.068 -18.115 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 102 5.064 -17.317 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.660 -18.780 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.962 -18.637 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.776 -20.512 -8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.779 -19.483 -9.175 1.00 0.00 H new TER 1632 GLU A 102