USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 968 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 97 TYR OH : rot 79:sc= 0.0406 USER MOD Set 1.2: A 115 HIS : no HE2:sc= -0.719 K(o=-0.68,f=-2.5) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.00583) USER MOD Set 2.2: A 70 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.91) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= -0.0706 (180deg=-1.21) USER MOD Single : A 12 SER OG : rot 180:sc= -0.106 USER MOD Single : A 14 THR OG1 : rot 180:sc= -2! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.593 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 22:sc= -0.555 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 153:sc= 0 (180deg=-0.847) USER MOD Single : A 62 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.3!) USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= -0.466 (180deg=-0.52) USER MOD Single : A 71 SER OG : rot 10:sc= -0.482 USER MOD Single : A 74 SER OG : rot 53:sc= -1.19! USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 82 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.16) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00442) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= -0.0343 (180deg=-0.219) USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= -0.187 (180deg=-0.634) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 75:sc= 0.0634 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.655 1.266 17.350 1.00 0.00 N ATOM 2 CA MET A 1 -1.563 1.732 16.269 1.00 0.00 C ATOM 3 C MET A 1 -0.963 1.464 14.892 1.00 0.00 C ATOM 4 O MET A 1 -0.140 2.235 14.401 1.00 0.00 O ATOM 5 CB MET A 1 -1.812 3.230 16.454 1.00 0.00 C ATOM 6 CG MET A 1 -2.983 3.543 17.369 1.00 0.00 C ATOM 7 SD MET A 1 -3.249 5.314 17.577 1.00 0.00 S ATOM 8 CE MET A 1 -4.611 5.319 18.738 1.00 0.00 C ATOM 0 H1 MET A 1 -1.088 1.461 18.275 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.494 0.243 17.251 1.00 0.00 H new ATOM 0 H3 MET A 1 0.253 1.768 17.281 1.00 0.00 H new ATOM 0 HA MET A 1 -2.503 1.184 16.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.912 3.692 16.859 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.992 3.683 15.479 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.887 3.089 16.963 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.808 3.089 18.344 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.891 6.347 18.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.464 4.799 18.301 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.309 4.813 19.655 1.00 0.00 H new ATOM 20 N LYS A 2 -1.382 0.364 14.274 1.00 0.00 N ATOM 21 CA LYS A 2 -0.886 -0.007 12.954 1.00 0.00 C ATOM 22 C LYS A 2 -2.020 -0.524 12.074 1.00 0.00 C ATOM 23 O LYS A 2 -2.686 -1.502 12.413 1.00 0.00 O ATOM 24 CB LYS A 2 0.206 -1.071 13.077 1.00 0.00 C ATOM 25 CG LYS A 2 1.251 -0.753 14.132 1.00 0.00 C ATOM 26 CD LYS A 2 2.277 0.245 13.619 1.00 0.00 C ATOM 27 CE LYS A 2 3.301 0.596 14.687 1.00 0.00 C ATOM 28 NZ LYS A 2 4.696 0.426 14.196 1.00 0.00 N ATOM 0 H LYS A 2 -2.064 -0.286 14.666 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.464 0.883 12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.257 -2.029 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.700 -1.186 12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.763 -0.350 15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.755 -1.671 14.435 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.786 -0.170 12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.770 1.152 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.152 1.627 15.008 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.144 -0.036 15.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.256 -0.082 14.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.688 -0.119 13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.120 1.360 14.024 1.00 0.00 H new ATOM 42 N ARG A 3 -2.233 0.139 10.941 1.00 0.00 N ATOM 43 CA ARG A 3 -3.286 -0.253 10.012 1.00 0.00 C ATOM 44 C ARG A 3 -2.879 0.051 8.573 1.00 0.00 C ATOM 45 O ARG A 3 -3.245 1.087 8.021 1.00 0.00 O ATOM 46 CB ARG A 3 -4.591 0.475 10.347 1.00 0.00 C ATOM 47 CG ARG A 3 -4.887 0.547 11.837 1.00 0.00 C ATOM 48 CD ARG A 3 -4.061 1.627 12.522 1.00 0.00 C ATOM 49 NE ARG A 3 -4.902 2.649 13.141 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.346 3.733 12.507 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.036 3.944 11.233 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.105 4.610 13.149 1.00 0.00 N ATOM 0 H ARG A 3 -1.690 0.950 10.645 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.442 -1.327 10.111 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.545 1.487 9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.417 -0.030 9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.947 0.749 11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.677 -0.419 12.297 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.426 1.171 13.282 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.399 2.095 11.793 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.165 2.525 14.119 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.453 3.273 10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.380 4.777 10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.348 4.454 14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.446 5.441 12.665 1.00 0.00 H new ATOM 66 N VAL A 4 -2.121 -0.860 7.971 1.00 0.00 N ATOM 67 CA VAL A 4 -1.662 -0.687 6.596 1.00 0.00 C ATOM 68 C VAL A 4 -2.826 -0.789 5.613 1.00 0.00 C ATOM 69 O VAL A 4 -3.881 -1.329 5.942 1.00 0.00 O ATOM 70 CB VAL A 4 -0.590 -1.734 6.229 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.008 -1.435 4.864 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.502 -1.782 7.293 1.00 0.00 C ATOM 0 H VAL A 4 -1.811 -1.726 8.413 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.222 0.308 6.527 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.070 -2.712 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.762 -2.185 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.778 -1.457 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.470 -0.448 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.248 -2.527 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.977 -0.804 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.062 -2.050 8.254 1.00 0.00 H new ATOM 82 N LEU A 5 -2.633 -0.265 4.406 1.00 0.00 N ATOM 83 CA LEU A 5 -3.671 -0.302 3.383 1.00 0.00 C ATOM 84 C LEU A 5 -3.201 -1.080 2.161 1.00 0.00 C ATOM 85 O LEU A 5 -2.072 -0.913 1.701 1.00 0.00 O ATOM 86 CB LEU A 5 -4.070 1.117 2.973 1.00 0.00 C ATOM 87 CG LEU A 5 -5.098 1.197 1.841 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.445 0.654 2.298 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.234 2.631 1.347 1.00 0.00 C ATOM 0 H LEU A 5 -1.768 0.190 4.113 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.540 -0.807 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.472 1.632 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.173 1.657 2.669 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.748 0.580 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.161 0.720 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.334 -0.387 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.806 1.240 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.968 2.671 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.560 3.269 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.271 2.981 0.976 1.00 0.00 H new ATOM 101 N VAL A 6 -4.074 -1.935 1.642 1.00 0.00 N ATOM 102 CA VAL A 6 -3.749 -2.743 0.474 1.00 0.00 C ATOM 103 C VAL A 6 -4.678 -2.421 -0.690 1.00 0.00 C ATOM 104 O VAL A 6 -5.880 -2.233 -0.508 1.00 0.00 O ATOM 105 CB VAL A 6 -3.843 -4.249 0.792 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.251 -5.081 -0.338 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.148 -4.562 2.107 1.00 0.00 C ATOM 0 H VAL A 6 -5.012 -2.086 2.012 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.724 -2.501 0.194 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.897 -4.510 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.329 -6.140 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.797 -4.883 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.202 -4.817 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.225 -5.629 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.097 -4.280 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.623 -4.001 2.912 1.00 0.00 H new ATOM 117 N VAL A 7 -4.112 -2.361 -1.889 1.00 0.00 N ATOM 118 CA VAL A 7 -4.889 -2.068 -3.085 1.00 0.00 C ATOM 119 C VAL A 7 -4.678 -3.148 -4.135 1.00 0.00 C ATOM 120 O VAL A 7 -3.557 -3.376 -4.589 1.00 0.00 O ATOM 121 CB VAL A 7 -4.511 -0.698 -3.681 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.447 -0.335 -4.822 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.527 0.375 -2.604 1.00 0.00 C ATOM 0 H VAL A 7 -3.117 -2.511 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.939 -2.042 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.499 -0.763 -4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.164 0.635 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.378 -1.091 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.471 -0.288 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.258 1.335 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.525 0.441 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.810 0.119 -1.824 1.00 0.00 H new ATOM 133 N ASP A 8 -5.760 -3.821 -4.512 1.00 0.00 N ATOM 134 CA ASP A 8 -5.680 -4.887 -5.500 1.00 0.00 C ATOM 135 C ASP A 8 -7.072 -5.332 -5.930 1.00 0.00 C ATOM 136 O ASP A 8 -8.055 -5.085 -5.232 1.00 0.00 O ATOM 137 CB ASP A 8 -4.906 -6.074 -4.921 1.00 0.00 C ATOM 138 CG ASP A 8 -4.740 -7.202 -5.920 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.534 -6.908 -7.116 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.815 -8.378 -5.508 1.00 0.00 O ATOM 0 H ASP A 8 -6.698 -3.647 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.156 -4.507 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.923 -5.737 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.427 -6.448 -4.039 1.00 0.00 H new ATOM 145 N ASP A 9 -7.150 -5.992 -7.081 1.00 0.00 N ATOM 146 CA ASP A 9 -8.428 -6.472 -7.594 1.00 0.00 C ATOM 147 C ASP A 9 -8.734 -7.867 -7.053 1.00 0.00 C ATOM 148 O ASP A 9 -9.060 -8.785 -7.807 1.00 0.00 O ATOM 149 CB ASP A 9 -8.420 -6.481 -9.125 1.00 0.00 C ATOM 150 CG ASP A 9 -9.716 -7.002 -9.714 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.788 -6.472 -9.353 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.660 -7.941 -10.536 1.00 0.00 O ATOM 0 H ASP A 9 -6.348 -6.206 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.211 -5.793 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.241 -5.469 -9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.592 -7.097 -9.476 1.00 0.00 H new ATOM 157 N GLU A 10 -8.628 -8.016 -5.737 1.00 0.00 N ATOM 158 CA GLU A 10 -8.893 -9.291 -5.083 1.00 0.00 C ATOM 159 C GLU A 10 -9.868 -9.110 -3.922 1.00 0.00 C ATOM 160 O GLU A 10 -9.656 -8.272 -3.046 1.00 0.00 O ATOM 161 CB GLU A 10 -7.586 -9.910 -4.580 1.00 0.00 C ATOM 162 CG GLU A 10 -7.329 -11.309 -5.118 1.00 0.00 C ATOM 163 CD GLU A 10 -6.396 -12.111 -4.233 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.758 -12.365 -3.065 1.00 0.00 O ATOM 165 OE2 GLU A 10 -5.303 -12.485 -4.708 1.00 0.00 O ATOM 0 H GLU A 10 -8.359 -7.266 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.345 -9.963 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.755 -9.263 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.606 -9.947 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.277 -11.838 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.902 -11.237 -6.118 1.00 0.00 H new ATOM 172 N GLU A 11 -10.937 -9.899 -3.925 1.00 0.00 N ATOM 173 CA GLU A 11 -11.944 -9.822 -2.872 1.00 0.00 C ATOM 174 C GLU A 11 -11.495 -10.576 -1.624 1.00 0.00 C ATOM 175 O GLU A 11 -10.767 -11.564 -1.712 1.00 0.00 O ATOM 176 CB GLU A 11 -13.275 -10.391 -3.370 1.00 0.00 C ATOM 177 CG GLU A 11 -14.115 -9.387 -4.144 1.00 0.00 C ATOM 178 CD GLU A 11 -15.172 -8.725 -3.282 1.00 0.00 C ATOM 179 OE1 GLU A 11 -16.162 -9.401 -2.933 1.00 0.00 O ATOM 180 OE2 GLU A 11 -15.010 -7.530 -2.957 1.00 0.00 O ATOM 0 H GLU A 11 -11.129 -10.598 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.075 -8.772 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.076 -11.253 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.849 -10.751 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.463 -8.622 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.598 -9.891 -4.981 1.00 0.00 H new ATOM 187 N SER A 12 -11.939 -10.103 -0.463 1.00 0.00 N ATOM 188 CA SER A 12 -11.590 -10.731 0.806 1.00 0.00 C ATOM 189 C SER A 12 -10.081 -10.713 1.035 1.00 0.00 C ATOM 190 O SER A 12 -9.436 -11.760 1.068 1.00 0.00 O ATOM 191 CB SER A 12 -12.106 -12.171 0.842 1.00 0.00 C ATOM 192 OG SER A 12 -13.236 -12.330 0.000 1.00 0.00 O ATOM 0 H SER A 12 -12.542 -9.285 -0.376 1.00 0.00 H new ATOM 0 HA SER A 12 -12.062 -10.159 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.315 -12.852 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.370 -12.440 1.865 1.00 0.00 H new ATOM 0 HG SER A 12 -13.545 -13.259 0.040 1.00 0.00 H new ATOM 198 N ILE A 13 -9.528 -9.515 1.210 1.00 0.00 N ATOM 199 CA ILE A 13 -8.105 -9.350 1.452 1.00 0.00 C ATOM 200 C ILE A 13 -7.272 -10.041 0.376 1.00 0.00 C ATOM 201 O ILE A 13 -7.785 -10.828 -0.420 1.00 0.00 O ATOM 202 CB ILE A 13 -7.739 -9.928 2.823 1.00 0.00 C ATOM 203 CG1 ILE A 13 -8.635 -9.335 3.913 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.267 -9.712 3.153 1.00 0.00 C ATOM 205 CD1 ILE A 13 -8.377 -7.867 4.182 1.00 0.00 C ATOM 0 H ILE A 13 -10.052 -8.640 1.188 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.885 -8.283 1.426 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.907 -11.004 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.678 -9.464 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.488 -9.896 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.048 -10.136 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.650 -10.201 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.049 -8.644 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.049 -7.517 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.344 -7.732 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.552 -7.294 3.271 1.00 0.00 H new ATOM 217 N THR A 14 -5.982 -9.747 0.369 1.00 0.00 N ATOM 218 CA THR A 14 -5.064 -10.342 -0.591 1.00 0.00 C ATOM 219 C THR A 14 -4.481 -11.633 -0.024 1.00 0.00 C ATOM 220 O THR A 14 -4.274 -11.752 1.185 1.00 0.00 O ATOM 221 CB THR A 14 -3.949 -9.355 -0.942 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.271 -8.925 0.224 1.00 0.00 O ATOM 223 CG2 THR A 14 -4.452 -8.119 -1.659 1.00 0.00 C ATOM 0 H THR A 14 -5.544 -9.096 1.021 1.00 0.00 H new ATOM 0 HA THR A 14 -5.611 -10.579 -1.504 1.00 0.00 H new ATOM 0 HB THR A 14 -3.280 -9.900 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.561 -8.296 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.613 -7.460 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.939 -8.411 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.167 -7.596 -1.024 1.00 0.00 H new ATOM 231 N SER A 15 -4.232 -12.602 -0.896 1.00 0.00 N ATOM 232 CA SER A 15 -3.689 -13.891 -0.476 1.00 0.00 C ATOM 233 C SER A 15 -2.382 -13.730 0.299 1.00 0.00 C ATOM 234 O SER A 15 -1.487 -12.997 -0.119 1.00 0.00 O ATOM 235 CB SER A 15 -3.462 -14.788 -1.694 1.00 0.00 C ATOM 236 OG SER A 15 -4.608 -15.575 -1.969 1.00 0.00 O ATOM 0 H SER A 15 -4.397 -12.521 -1.899 1.00 0.00 H new ATOM 0 HA SER A 15 -4.418 -14.354 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.222 -14.174 -2.562 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.605 -15.438 -1.516 1.00 0.00 H new ATOM 0 HG SER A 15 -4.438 -16.138 -2.753 1.00 0.00 H new ATOM 242 N SER A 16 -2.283 -14.441 1.425 1.00 0.00 N ATOM 243 CA SER A 16 -1.087 -14.413 2.275 1.00 0.00 C ATOM 244 C SER A 16 -1.072 -13.209 3.217 1.00 0.00 C ATOM 245 O SER A 16 -0.731 -13.342 4.393 1.00 0.00 O ATOM 246 CB SER A 16 0.185 -14.419 1.421 1.00 0.00 C ATOM 247 OG SER A 16 -0.002 -15.162 0.230 1.00 0.00 O ATOM 0 H SER A 16 -3.024 -15.049 1.773 1.00 0.00 H new ATOM 0 HA SER A 16 -1.117 -15.314 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.465 -13.395 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.009 -14.846 1.993 1.00 0.00 H new ATOM 0 HG SER A 16 0.824 -15.148 -0.297 1.00 0.00 H new ATOM 253 N LEU A 17 -1.427 -12.036 2.702 1.00 0.00 N ATOM 254 CA LEU A 17 -1.435 -10.818 3.506 1.00 0.00 C ATOM 255 C LEU A 17 -2.237 -11.006 4.794 1.00 0.00 C ATOM 256 O LEU A 17 -1.737 -10.751 5.890 1.00 0.00 O ATOM 257 CB LEU A 17 -2.021 -9.660 2.687 1.00 0.00 C ATOM 258 CG LEU A 17 -1.158 -8.389 2.546 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.990 -7.160 2.847 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.077 -8.425 3.440 1.00 0.00 C ATOM 0 H LEU A 17 -1.713 -11.903 1.732 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.406 -10.586 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.241 -10.032 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.972 -9.375 3.138 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.806 -8.347 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.372 -6.268 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.824 -7.105 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.374 -7.221 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.651 -7.509 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.231 -8.510 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.694 -9.283 3.173 1.00 0.00 H new ATOM 272 N SER A 18 -3.483 -11.447 4.653 1.00 0.00 N ATOM 273 CA SER A 18 -4.361 -11.662 5.803 1.00 0.00 C ATOM 274 C SER A 18 -3.648 -12.422 6.918 1.00 0.00 C ATOM 275 O SER A 18 -3.324 -11.853 7.960 1.00 0.00 O ATOM 276 CB SER A 18 -5.616 -12.425 5.374 1.00 0.00 C ATOM 277 OG SER A 18 -6.453 -12.697 6.484 1.00 0.00 O ATOM 0 H SER A 18 -3.910 -11.664 3.752 1.00 0.00 H new ATOM 0 HA SER A 18 -4.646 -10.684 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.165 -11.841 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.330 -13.360 4.893 1.00 0.00 H new ATOM 0 HG SER A 18 -7.248 -13.184 6.182 1.00 0.00 H new ATOM 283 N ALA A 19 -3.409 -13.712 6.695 1.00 0.00 N ATOM 284 CA ALA A 19 -2.736 -14.554 7.684 1.00 0.00 C ATOM 285 C ALA A 19 -1.498 -13.867 8.253 1.00 0.00 C ATOM 286 O ALA A 19 -1.227 -13.944 9.452 1.00 0.00 O ATOM 287 CB ALA A 19 -2.356 -15.889 7.062 1.00 0.00 C ATOM 0 H ALA A 19 -3.671 -14.199 5.838 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.430 -14.725 8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.856 -16.508 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.255 -16.397 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.685 -15.720 6.220 1.00 0.00 H new ATOM 293 N ILE A 20 -0.750 -13.199 7.384 1.00 0.00 N ATOM 294 CA ILE A 20 0.462 -12.499 7.792 1.00 0.00 C ATOM 295 C ILE A 20 0.142 -11.359 8.754 1.00 0.00 C ATOM 296 O ILE A 20 0.498 -11.412 9.929 1.00 0.00 O ATOM 297 CB ILE A 20 1.220 -11.947 6.567 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.844 -13.093 5.777 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.285 -10.944 6.988 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.939 -12.822 4.292 1.00 0.00 C ATOM 0 H ILE A 20 -0.962 -13.127 6.389 1.00 0.00 H new ATOM 0 HA ILE A 20 1.097 -13.221 8.304 1.00 0.00 H new ATOM 0 HB ILE A 20 0.506 -11.427 5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.843 -13.291 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.255 -13.996 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.803 -10.571 6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.814 -10.111 7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.001 -11.430 7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.392 -13.679 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.941 -12.654 3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.553 -11.937 4.122 1.00 0.00 H new ATOM 312 N LEU A 21 -0.524 -10.328 8.247 1.00 0.00 N ATOM 313 CA LEU A 21 -0.889 -9.176 9.065 1.00 0.00 C ATOM 314 C LEU A 21 -1.519 -9.613 10.384 1.00 0.00 C ATOM 315 O LEU A 21 -1.400 -8.927 11.399 1.00 0.00 O ATOM 316 CB LEU A 21 -1.855 -8.286 8.295 1.00 0.00 C ATOM 317 CG LEU A 21 -1.369 -7.889 6.903 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.459 -8.117 5.871 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.902 -6.441 6.895 1.00 0.00 C ATOM 0 H LEU A 21 -0.822 -10.266 7.274 1.00 0.00 H new ATOM 0 HA LEU A 21 0.018 -8.617 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.810 -8.803 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.038 -7.381 8.875 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.520 -8.520 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.093 -7.828 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.736 -9.171 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.332 -7.515 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.559 -6.175 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.729 -5.790 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.083 -6.319 7.604 1.00 0.00 H new ATOM 331 N GLU A 22 -2.187 -10.762 10.360 1.00 0.00 N ATOM 332 CA GLU A 22 -2.835 -11.296 11.551 1.00 0.00 C ATOM 333 C GLU A 22 -1.806 -11.858 12.528 1.00 0.00 C ATOM 334 O GLU A 22 -2.061 -11.941 13.729 1.00 0.00 O ATOM 335 CB GLU A 22 -3.841 -12.380 11.168 1.00 0.00 C ATOM 336 CG GLU A 22 -5.101 -11.837 10.517 1.00 0.00 C ATOM 337 CD GLU A 22 -6.189 -12.885 10.385 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.990 -13.853 9.622 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.238 -12.738 11.044 1.00 0.00 O ATOM 0 H GLU A 22 -2.293 -11.341 9.527 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.364 -10.479 12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.363 -13.083 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.116 -12.941 12.061 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.478 -11.000 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.856 -11.447 9.529 1.00 0.00 H new ATOM 346 N GLU A 23 -0.640 -12.237 12.009 1.00 0.00 N ATOM 347 CA GLU A 23 0.422 -12.781 12.839 1.00 0.00 C ATOM 348 C GLU A 23 1.198 -11.652 13.510 1.00 0.00 C ATOM 349 O GLU A 23 1.612 -11.768 14.663 1.00 0.00 O ATOM 350 CB GLU A 23 1.356 -13.645 11.989 1.00 0.00 C ATOM 351 CG GLU A 23 2.664 -13.996 12.677 1.00 0.00 C ATOM 352 CD GLU A 23 2.992 -15.474 12.594 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.571 -15.896 11.571 1.00 0.00 O ATOM 354 OE2 GLU A 23 2.669 -16.208 13.550 1.00 0.00 O ATOM 0 H GLU A 23 -0.411 -12.176 11.017 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.018 -13.404 13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.839 -14.566 11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.575 -13.120 11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.473 -13.423 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.610 -13.698 13.724 1.00 0.00 H new ATOM 361 N GLU A 24 1.389 -10.559 12.777 1.00 0.00 N ATOM 362 CA GLU A 24 2.111 -9.407 13.301 1.00 0.00 C ATOM 363 C GLU A 24 1.220 -8.569 14.214 1.00 0.00 C ATOM 364 O GLU A 24 1.708 -7.857 15.091 1.00 0.00 O ATOM 365 CB GLU A 24 2.647 -8.546 12.162 1.00 0.00 C ATOM 366 CG GLU A 24 4.079 -8.081 12.372 1.00 0.00 C ATOM 367 CD GLU A 24 4.265 -7.343 13.683 1.00 0.00 C ATOM 368 OE1 GLU A 24 3.443 -6.452 13.986 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.233 -7.655 14.409 1.00 0.00 O ATOM 0 H GLU A 24 1.054 -10.448 11.820 1.00 0.00 H new ATOM 0 HA GLU A 24 2.951 -9.780 13.888 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.590 -9.112 11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.004 -7.674 12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.745 -8.944 12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.370 -7.430 11.548 1.00 0.00 H new ATOM 376 N GLY A 25 -0.089 -8.653 13.996 1.00 0.00 N ATOM 377 CA GLY A 25 -1.025 -7.893 14.803 1.00 0.00 C ATOM 378 C GLY A 25 -1.295 -6.518 14.227 1.00 0.00 C ATOM 379 O GLY A 25 -1.145 -5.508 14.914 1.00 0.00 O ATOM 0 H GLY A 25 -0.517 -9.234 13.275 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.963 -8.442 14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.630 -7.790 15.814 1.00 0.00 H new ATOM 383 N TYR A 26 -1.690 -6.480 12.959 1.00 0.00 N ATOM 384 CA TYR A 26 -1.978 -5.222 12.281 1.00 0.00 C ATOM 385 C TYR A 26 -3.461 -5.092 11.959 1.00 0.00 C ATOM 386 O TYR A 26 -4.263 -5.972 12.267 1.00 0.00 O ATOM 387 CB TYR A 26 -1.187 -5.123 10.973 1.00 0.00 C ATOM 388 CG TYR A 26 0.291 -4.831 11.135 1.00 0.00 C ATOM 389 CD1 TYR A 26 0.790 -4.208 12.272 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.187 -5.174 10.130 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.138 -3.937 12.402 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.536 -4.909 10.253 1.00 0.00 C ATOM 393 CZ TYR A 26 3.007 -4.290 11.390 1.00 0.00 C ATOM 394 OH TYR A 26 4.350 -4.021 11.517 1.00 0.00 O ATOM 0 H TYR A 26 -1.818 -7.309 12.379 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.685 -4.419 12.957 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.298 -6.060 10.428 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.630 -4.341 10.357 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.113 -3.931 13.067 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.821 -5.657 9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.510 -3.451 13.292 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.218 -5.185 9.463 1.00 0.00 H new ATOM 0 HH TYR A 26 4.851 -4.533 10.848 1.00 0.00 H new ATOM 404 N HIS A 27 -3.799 -3.990 11.303 1.00 0.00 N ATOM 405 CA HIS A 27 -5.165 -3.717 10.883 1.00 0.00 C ATOM 406 C HIS A 27 -5.148 -3.308 9.415 1.00 0.00 C ATOM 407 O HIS A 27 -5.195 -2.124 9.084 1.00 0.00 O ATOM 408 CB HIS A 27 -5.788 -2.617 11.745 1.00 0.00 C ATOM 409 CG HIS A 27 -7.070 -3.026 12.402 1.00 0.00 C ATOM 410 ND1 HIS A 27 -8.301 -2.909 11.791 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.308 -3.556 13.626 1.00 0.00 C ATOM 412 CE1 HIS A 27 -9.240 -3.348 12.609 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.665 -3.746 13.729 1.00 0.00 N ATOM 0 H HIS A 27 -3.133 -3.261 11.047 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.773 -4.613 11.008 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.074 -2.320 12.513 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.971 -1.740 11.124 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.569 -3.786 14.380 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.299 -3.377 12.398 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.150 -4.132 14.539 1.00 0.00 H new ATOM 422 N PRO A 28 -5.037 -4.296 8.517 1.00 0.00 N ATOM 423 CA PRO A 28 -4.962 -4.055 7.080 1.00 0.00 C ATOM 424 C PRO A 28 -6.320 -3.894 6.410 1.00 0.00 C ATOM 425 O PRO A 28 -7.265 -4.627 6.701 1.00 0.00 O ATOM 426 CB PRO A 28 -4.263 -5.312 6.571 1.00 0.00 C ATOM 427 CG PRO A 28 -4.698 -6.390 7.506 1.00 0.00 C ATOM 428 CD PRO A 28 -4.940 -5.731 8.842 1.00 0.00 C ATOM 0 HA PRO A 28 -4.449 -3.120 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.551 -5.538 5.544 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.179 -5.194 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.604 -6.875 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.934 -7.163 7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.854 -6.098 9.309 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.125 -5.929 9.539 1.00 0.00 H new ATOM 436 N ASP A 29 -6.390 -2.941 5.488 1.00 0.00 N ATOM 437 CA ASP A 29 -7.608 -2.677 4.737 1.00 0.00 C ATOM 438 C ASP A 29 -7.325 -2.825 3.250 1.00 0.00 C ATOM 439 O ASP A 29 -6.492 -2.110 2.696 1.00 0.00 O ATOM 440 CB ASP A 29 -8.131 -1.272 5.038 1.00 0.00 C ATOM 441 CG ASP A 29 -9.480 -1.008 4.396 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.602 -1.206 3.169 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.413 -0.603 5.121 1.00 0.00 O ATOM 0 H ASP A 29 -5.608 -2.334 5.242 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.372 -3.395 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.213 -1.141 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.411 -0.535 4.681 1.00 0.00 H new ATOM 448 N THR A 30 -8.001 -3.768 2.606 1.00 0.00 N ATOM 449 CA THR A 30 -7.791 -4.007 1.186 1.00 0.00 C ATOM 450 C THR A 30 -8.908 -3.404 0.344 1.00 0.00 C ATOM 451 O THR A 30 -10.088 -3.670 0.574 1.00 0.00 O ATOM 452 CB THR A 30 -7.679 -5.507 0.914 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.890 -6.168 1.234 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.571 -6.173 1.700 1.00 0.00 C ATOM 0 H THR A 30 -8.695 -4.376 3.042 1.00 0.00 H new ATOM 0 HA THR A 30 -6.859 -3.519 0.902 1.00 0.00 H new ATOM 0 HB THR A 30 -7.453 -5.593 -0.149 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.627 -5.523 1.224 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.544 -7.236 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.615 -5.719 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.754 -6.045 2.767 1.00 0.00 H new ATOM 462 N ALA A 31 -8.522 -2.599 -0.639 1.00 0.00 N ATOM 463 CA ALA A 31 -9.481 -1.961 -1.530 1.00 0.00 C ATOM 464 C ALA A 31 -9.593 -2.736 -2.838 1.00 0.00 C ATOM 465 O ALA A 31 -9.150 -3.880 -2.930 1.00 0.00 O ATOM 466 CB ALA A 31 -9.077 -0.518 -1.797 1.00 0.00 C ATOM 0 H ALA A 31 -7.548 -2.373 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.458 -1.963 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.803 -0.054 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.047 0.031 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.091 -0.496 -2.262 1.00 0.00 H new ATOM 472 N LYS A 32 -10.190 -2.112 -3.847 1.00 0.00 N ATOM 473 CA LYS A 32 -10.357 -2.758 -5.146 1.00 0.00 C ATOM 474 C LYS A 32 -9.820 -1.887 -6.282 1.00 0.00 C ATOM 475 O LYS A 32 -9.778 -2.317 -7.434 1.00 0.00 O ATOM 476 CB LYS A 32 -11.833 -3.087 -5.405 1.00 0.00 C ATOM 477 CG LYS A 32 -12.704 -3.036 -4.161 1.00 0.00 C ATOM 478 CD LYS A 32 -14.171 -2.852 -4.514 1.00 0.00 C ATOM 479 CE LYS A 32 -15.079 -3.514 -3.490 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.030 -2.820 -2.173 1.00 0.00 N ATOM 0 H LYS A 32 -10.565 -1.165 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.781 -3.683 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.227 -2.387 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.901 -4.083 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.579 -3.956 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.377 -2.217 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.401 -1.788 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.365 -3.274 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.104 -3.516 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.784 -4.556 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.663 -3.302 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.057 -2.840 -1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.336 -1.833 -2.289 1.00 0.00 H new ATOM 494 N THR A 33 -9.406 -0.667 -5.954 1.00 0.00 N ATOM 495 CA THR A 33 -8.869 0.252 -6.948 1.00 0.00 C ATOM 496 C THR A 33 -8.265 1.472 -6.264 1.00 0.00 C ATOM 497 O THR A 33 -8.226 1.549 -5.036 1.00 0.00 O ATOM 498 CB THR A 33 -9.965 0.684 -7.926 1.00 0.00 C ATOM 499 OG1 THR A 33 -11.250 0.443 -7.379 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.892 -0.030 -9.259 1.00 0.00 C ATOM 0 H THR A 33 -9.433 -0.293 -5.006 1.00 0.00 H new ATOM 0 HA THR A 33 -8.087 -0.261 -7.508 1.00 0.00 H new ATOM 0 HB THR A 33 -9.801 1.749 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.936 0.727 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.696 0.322 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.931 0.177 -9.730 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.996 -1.104 -9.103 1.00 0.00 H new ATOM 508 N LEU A 34 -7.805 2.431 -7.058 1.00 0.00 N ATOM 509 CA LEU A 34 -7.218 3.646 -6.510 1.00 0.00 C ATOM 510 C LEU A 34 -8.310 4.586 -6.018 1.00 0.00 C ATOM 511 O LEU A 34 -8.118 5.321 -5.049 1.00 0.00 O ATOM 512 CB LEU A 34 -6.345 4.340 -7.558 1.00 0.00 C ATOM 513 CG LEU A 34 -5.191 3.495 -8.102 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.674 4.072 -9.410 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.069 3.403 -7.078 1.00 0.00 C ATOM 0 H LEU A 34 -7.827 2.391 -8.077 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.587 3.375 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.977 4.644 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.934 5.250 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.564 2.489 -8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.854 3.457 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.479 4.085 -10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.318 5.089 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.257 2.798 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.699 4.403 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.446 2.941 -6.166 1.00 0.00 H new ATOM 527 N ARG A 35 -9.464 4.543 -6.677 1.00 0.00 N ATOM 528 CA ARG A 35 -10.590 5.377 -6.286 1.00 0.00 C ATOM 529 C ARG A 35 -11.154 4.891 -4.956 1.00 0.00 C ATOM 530 O ARG A 35 -11.412 5.684 -4.048 1.00 0.00 O ATOM 531 CB ARG A 35 -11.678 5.348 -7.363 1.00 0.00 C ATOM 532 CG ARG A 35 -12.279 6.713 -7.656 1.00 0.00 C ATOM 533 CD ARG A 35 -13.760 6.611 -7.985 1.00 0.00 C ATOM 534 NE ARG A 35 -14.398 7.924 -8.043 1.00 0.00 N ATOM 535 CZ ARG A 35 -15.705 8.106 -8.213 1.00 0.00 C ATOM 536 NH1 ARG A 35 -16.517 7.063 -8.341 1.00 0.00 N ATOM 537 NH2 ARG A 35 -16.204 9.334 -8.255 1.00 0.00 N ATOM 0 H ARG A 35 -9.641 3.941 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.244 6.405 -6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.257 4.940 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.472 4.671 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.141 7.365 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.751 7.173 -8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.885 6.104 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.257 5.999 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.807 8.750 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.140 6.116 -8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.518 7.209 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.586 10.139 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.206 9.473 -8.385 1.00 0.00 H new ATOM 551 N GLU A 36 -11.324 3.577 -4.845 1.00 0.00 N ATOM 552 CA GLU A 36 -11.838 2.975 -3.623 1.00 0.00 C ATOM 553 C GLU A 36 -10.883 3.243 -2.466 1.00 0.00 C ATOM 554 O GLU A 36 -11.309 3.454 -1.330 1.00 0.00 O ATOM 555 CB GLU A 36 -12.035 1.466 -3.808 1.00 0.00 C ATOM 556 CG GLU A 36 -13.467 1.077 -4.134 1.00 0.00 C ATOM 557 CD GLU A 36 -13.974 1.728 -5.406 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.337 2.922 -5.358 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.006 1.045 -6.451 1.00 0.00 O ATOM 0 H GLU A 36 -11.113 2.910 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.805 3.424 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.381 1.118 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.726 0.953 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.531 -0.006 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.114 1.359 -3.303 1.00 0.00 H new ATOM 566 N ALA A 37 -9.586 3.246 -2.764 1.00 0.00 N ATOM 567 CA ALA A 37 -8.576 3.499 -1.748 1.00 0.00 C ATOM 568 C ALA A 37 -8.620 4.953 -1.303 1.00 0.00 C ATOM 569 O ALA A 37 -8.633 5.241 -0.108 1.00 0.00 O ATOM 570 CB ALA A 37 -7.193 3.143 -2.271 1.00 0.00 C ATOM 0 H ALA A 37 -9.214 3.076 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.790 2.868 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.450 3.339 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.167 2.087 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.970 3.748 -3.150 1.00 0.00 H new ATOM 576 N GLU A 38 -8.650 5.869 -2.270 1.00 0.00 N ATOM 577 CA GLU A 38 -8.700 7.295 -1.967 1.00 0.00 C ATOM 578 C GLU A 38 -9.744 7.576 -0.898 1.00 0.00 C ATOM 579 O GLU A 38 -9.470 8.256 0.089 1.00 0.00 O ATOM 580 CB GLU A 38 -9.010 8.103 -3.225 1.00 0.00 C ATOM 581 CG GLU A 38 -7.807 8.303 -4.133 1.00 0.00 C ATOM 582 CD GLU A 38 -8.161 9.025 -5.418 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.351 9.020 -5.794 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.246 9.597 -6.047 1.00 0.00 O ATOM 0 H GLU A 38 -8.641 5.648 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.722 7.596 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.798 7.599 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.400 9.078 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.044 8.871 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.372 7.333 -4.373 1.00 0.00 H new ATOM 591 N LYS A 39 -10.937 7.024 -1.088 1.00 0.00 N ATOM 592 CA LYS A 39 -12.010 7.200 -0.120 1.00 0.00 C ATOM 593 C LYS A 39 -11.560 6.692 1.244 1.00 0.00 C ATOM 594 O LYS A 39 -11.641 7.404 2.246 1.00 0.00 O ATOM 595 CB LYS A 39 -13.267 6.453 -0.573 1.00 0.00 C ATOM 596 CG LYS A 39 -14.425 6.559 0.407 1.00 0.00 C ATOM 597 CD LYS A 39 -14.540 5.315 1.274 1.00 0.00 C ATOM 598 CE LYS A 39 -15.982 4.850 1.395 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.398 4.019 0.231 1.00 0.00 N ATOM 0 H LYS A 39 -11.183 6.455 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.248 8.261 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.583 6.844 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.021 5.401 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.286 7.434 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.355 6.708 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.934 4.516 0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.140 5.524 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.102 4.275 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.637 5.717 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.387 3.722 0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.308 4.576 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.789 3.178 0.170 1.00 0.00 H new ATOM 613 N LYS A 40 -11.080 5.452 1.268 1.00 0.00 N ATOM 614 CA LYS A 40 -10.609 4.836 2.500 1.00 0.00 C ATOM 615 C LYS A 40 -9.395 5.579 3.064 1.00 0.00 C ATOM 616 O LYS A 40 -9.113 5.506 4.260 1.00 0.00 O ATOM 617 CB LYS A 40 -10.254 3.370 2.246 1.00 0.00 C ATOM 618 CG LYS A 40 -11.369 2.583 1.573 1.00 0.00 C ATOM 619 CD LYS A 40 -11.714 1.323 2.351 1.00 0.00 C ATOM 620 CE LYS A 40 -13.143 0.878 2.087 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.394 -0.506 2.573 1.00 0.00 N ATOM 0 H LYS A 40 -11.008 4.854 0.445 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.411 4.893 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.360 3.323 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.006 2.895 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.256 3.211 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.066 2.315 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.026 0.524 2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.580 1.505 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.833 1.565 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.347 0.929 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.380 -0.771 2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.753 -1.166 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.224 -0.550 3.598 1.00 0.00 H new ATOM 635 N ILE A 41 -8.677 6.289 2.198 1.00 0.00 N ATOM 636 CA ILE A 41 -7.495 7.032 2.622 1.00 0.00 C ATOM 637 C ILE A 41 -7.833 8.480 2.970 1.00 0.00 C ATOM 638 O ILE A 41 -7.050 9.163 3.630 1.00 0.00 O ATOM 639 CB ILE A 41 -6.409 7.021 1.532 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.045 5.584 1.160 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.173 7.782 1.996 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.527 5.438 -0.252 1.00 0.00 C ATOM 0 H ILE A 41 -8.892 6.365 1.204 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.118 6.532 3.514 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.804 7.520 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.289 5.218 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.924 4.952 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.417 7.762 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.443 8.815 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.774 7.314 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.289 4.392 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.289 5.773 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.629 6.043 -0.374 1.00 0.00 H new ATOM 654 N LYS A 42 -8.999 8.943 2.536 1.00 0.00 N ATOM 655 CA LYS A 42 -9.424 10.306 2.820 1.00 0.00 C ATOM 656 C LYS A 42 -10.423 10.333 3.971 1.00 0.00 C ATOM 657 O LYS A 42 -11.201 11.277 4.108 1.00 0.00 O ATOM 658 CB LYS A 42 -10.037 10.946 1.578 1.00 0.00 C ATOM 659 CG LYS A 42 -9.418 12.287 1.217 1.00 0.00 C ATOM 660 CD LYS A 42 -10.277 13.444 1.700 1.00 0.00 C ATOM 661 CE LYS A 42 -9.470 14.728 1.812 1.00 0.00 C ATOM 662 NZ LYS A 42 -8.630 14.750 3.042 1.00 0.00 N ATOM 0 H LYS A 42 -9.664 8.397 1.988 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.544 10.880 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.924 10.264 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.107 11.080 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.424 12.361 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.292 12.352 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.108 13.594 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.708 13.198 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.832 14.834 0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.146 15.583 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.782 15.327 2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.175 15.159 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.346 13.780 3.286 1.00 0.00 H new ATOM 676 N GLU A 43 -10.399 9.289 4.797 1.00 0.00 N ATOM 677 CA GLU A 43 -11.311 9.202 5.931 1.00 0.00 C ATOM 678 C GLU A 43 -10.638 8.566 7.148 1.00 0.00 C ATOM 679 O GLU A 43 -10.650 9.140 8.237 1.00 0.00 O ATOM 680 CB GLU A 43 -12.564 8.420 5.546 1.00 0.00 C ATOM 681 CG GLU A 43 -13.617 9.262 4.847 1.00 0.00 C ATOM 682 CD GLU A 43 -14.947 8.545 4.719 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.960 7.404 4.210 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.975 9.124 5.129 1.00 0.00 O ATOM 0 H GLU A 43 -9.762 8.498 4.702 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.597 10.217 6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.280 7.594 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.999 7.982 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.761 10.190 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.259 9.535 3.854 1.00 0.00 H new ATOM 691 N LEU A 44 -10.046 7.384 6.967 1.00 0.00 N ATOM 692 CA LEU A 44 -9.369 6.700 8.073 1.00 0.00 C ATOM 693 C LEU A 44 -7.877 6.932 7.983 1.00 0.00 C ATOM 694 O LEU A 44 -7.084 6.281 8.664 1.00 0.00 O ATOM 695 CB LEU A 44 -9.662 5.189 8.088 1.00 0.00 C ATOM 696 CG LEU A 44 -10.952 4.728 7.391 1.00 0.00 C ATOM 697 CD1 LEU A 44 -11.954 5.864 7.271 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.638 4.148 6.018 1.00 0.00 C ATOM 0 H LEU A 44 -10.020 6.885 6.078 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.755 7.118 9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.821 4.675 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.701 4.860 9.127 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.403 3.949 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.855 5.504 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.210 6.230 8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.517 6.675 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.563 3.827 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.156 4.908 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.970 3.293 6.128 1.00 0.00 H new ATOM 710 N PHE A 45 -7.527 7.883 7.137 1.00 0.00 N ATOM 711 CA PHE A 45 -6.138 8.281 6.901 1.00 0.00 C ATOM 712 C PHE A 45 -5.158 7.157 7.252 1.00 0.00 C ATOM 713 O PHE A 45 -4.645 7.093 8.370 1.00 0.00 O ATOM 714 CB PHE A 45 -5.838 9.546 7.709 1.00 0.00 C ATOM 715 CG PHE A 45 -4.377 9.789 7.978 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.542 10.259 6.977 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.842 9.551 9.235 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.201 10.487 7.224 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.502 9.777 9.488 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.681 10.245 8.480 1.00 0.00 C ATOM 0 H PHE A 45 -8.202 8.411 6.584 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.007 8.488 5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.243 10.406 7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.364 9.485 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.943 10.449 5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.480 9.185 10.026 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.561 10.854 6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.098 9.588 10.471 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.633 10.421 8.674 1.00 0.00 H new ATOM 730 N PHE A 46 -4.916 6.271 6.293 1.00 0.00 N ATOM 731 CA PHE A 46 -4.012 5.146 6.501 1.00 0.00 C ATOM 732 C PHE A 46 -2.565 5.613 6.646 1.00 0.00 C ATOM 733 O PHE A 46 -2.163 6.609 6.045 1.00 0.00 O ATOM 734 CB PHE A 46 -4.111 4.160 5.336 1.00 0.00 C ATOM 735 CG PHE A 46 -5.386 3.369 5.317 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.696 2.502 6.352 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.271 3.490 4.260 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.869 1.770 6.332 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.444 2.762 4.234 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.744 1.900 5.271 1.00 0.00 C ATOM 0 H PHE A 46 -5.333 6.310 5.363 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.312 4.652 7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.022 4.710 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.268 3.471 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.014 2.397 7.183 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.042 4.162 3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.101 1.098 7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.126 2.866 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.661 1.329 5.252 1.00 0.00 H new ATOM 750 N PRO A 47 -1.757 4.886 7.439 1.00 0.00 N ATOM 751 CA PRO A 47 -0.354 5.214 7.648 1.00 0.00 C ATOM 752 C PRO A 47 0.531 4.659 6.537 1.00 0.00 C ATOM 753 O PRO A 47 1.382 5.364 5.996 1.00 0.00 O ATOM 754 CB PRO A 47 -0.015 4.545 8.988 1.00 0.00 C ATOM 755 CG PRO A 47 -1.177 3.659 9.337 1.00 0.00 C ATOM 756 CD PRO A 47 -2.141 3.683 8.179 1.00 0.00 C ATOM 0 HA PRO A 47 -0.183 6.291 7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.904 3.964 8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.147 5.293 9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.837 2.641 9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.664 4.009 10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.051 2.788 7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.175 3.734 8.519 1.00 0.00 H new ATOM 764 N VAL A 48 0.328 3.388 6.204 1.00 0.00 N ATOM 765 CA VAL A 48 1.105 2.733 5.160 1.00 0.00 C ATOM 766 C VAL A 48 0.215 2.303 3.999 1.00 0.00 C ATOM 767 O VAL A 48 -0.783 1.614 4.194 1.00 0.00 O ATOM 768 CB VAL A 48 1.834 1.493 5.710 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.775 0.911 4.665 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.587 1.843 6.982 1.00 0.00 C ATOM 0 H VAL A 48 -0.371 2.790 6.645 1.00 0.00 H new ATOM 0 HA VAL A 48 1.837 3.458 4.805 1.00 0.00 H new ATOM 0 HB VAL A 48 1.089 0.734 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.279 0.036 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.204 0.620 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.517 1.659 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.097 0.956 7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.321 2.620 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.884 2.204 7.733 1.00 0.00 H new ATOM 780 N ILE A 49 0.582 2.713 2.789 1.00 0.00 N ATOM 781 CA ILE A 49 -0.188 2.363 1.600 1.00 0.00 C ATOM 782 C ILE A 49 0.599 1.410 0.704 1.00 0.00 C ATOM 783 O ILE A 49 1.734 1.697 0.326 1.00 0.00 O ATOM 784 CB ILE A 49 -0.574 3.614 0.788 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.130 4.699 1.712 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.591 3.254 -0.287 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.406 4.297 2.420 1.00 0.00 C ATOM 0 H ILE A 49 1.405 3.286 2.606 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.098 1.872 1.944 1.00 0.00 H new ATOM 0 HB ILE A 49 0.320 4.003 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.375 4.952 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.317 5.601 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.854 4.148 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.162 2.512 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.486 2.844 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.742 5.115 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.176 4.072 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.220 3.414 3.031 1.00 0.00 H new ATOM 799 N VAL A 50 -0.007 0.272 0.376 1.00 0.00 N ATOM 800 CA VAL A 50 0.651 -0.721 -0.466 1.00 0.00 C ATOM 801 C VAL A 50 -0.210 -1.119 -1.661 1.00 0.00 C ATOM 802 O VAL A 50 -1.192 -1.849 -1.522 1.00 0.00 O ATOM 803 CB VAL A 50 1.012 -1.985 0.338 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.746 -2.992 -0.536 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.851 -1.614 1.549 1.00 0.00 C ATOM 0 H VAL A 50 -0.947 0.016 0.679 1.00 0.00 H new ATOM 0 HA VAL A 50 1.564 -0.253 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 50 0.088 -2.450 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.990 -3.876 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.110 -3.279 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.664 -2.544 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.100 -2.515 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.769 -1.126 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.287 -0.934 2.188 1.00 0.00 H new ATOM 815 N LEU A 51 0.180 -0.639 -2.835 1.00 0.00 N ATOM 816 CA LEU A 51 -0.535 -0.945 -4.072 1.00 0.00 C ATOM 817 C LEU A 51 -0.157 -2.338 -4.572 1.00 0.00 C ATOM 818 O LEU A 51 0.826 -2.922 -4.116 1.00 0.00 O ATOM 819 CB LEU A 51 -0.219 0.108 -5.139 1.00 0.00 C ATOM 820 CG LEU A 51 -1.013 -0.020 -6.442 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.504 0.120 -6.177 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.550 1.024 -7.448 1.00 0.00 C ATOM 0 H LEU A 51 0.991 -0.033 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.606 -0.928 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.403 1.096 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.844 0.055 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.832 -1.010 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.051 0.026 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.826 -0.662 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.705 1.096 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.123 0.921 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.704 2.021 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.509 0.879 -7.661 1.00 0.00 H new ATOM 834 N ASP A 52 -0.944 -2.870 -5.503 1.00 0.00 N ATOM 835 CA ASP A 52 -0.686 -4.199 -6.050 1.00 0.00 C ATOM 836 C ASP A 52 -0.638 -4.181 -7.575 1.00 0.00 C ATOM 837 O ASP A 52 0.353 -4.593 -8.176 1.00 0.00 O ATOM 838 CB ASP A 52 -1.755 -5.183 -5.577 1.00 0.00 C ATOM 839 CG ASP A 52 -1.392 -6.623 -5.880 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.669 -6.857 -6.871 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.831 -7.516 -5.127 1.00 0.00 O ATOM 0 H ASP A 52 -1.763 -2.403 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 52 0.290 -4.520 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.902 -5.067 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.704 -4.942 -6.056 1.00 0.00 H new ATOM 846 N VAL A 53 -1.715 -3.709 -8.197 1.00 0.00 N ATOM 847 CA VAL A 53 -1.787 -3.649 -9.656 1.00 0.00 C ATOM 848 C VAL A 53 -1.841 -5.052 -10.258 1.00 0.00 C ATOM 849 O VAL A 53 -0.906 -5.480 -10.936 1.00 0.00 O ATOM 850 CB VAL A 53 -0.574 -2.897 -10.247 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.770 -2.639 -11.733 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.330 -1.594 -9.501 1.00 0.00 C ATOM 0 H VAL A 53 -2.546 -3.364 -7.718 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.700 -3.109 -9.909 1.00 0.00 H new ATOM 0 HB VAL A 53 0.307 -3.527 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.097 -2.108 -12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.883 -3.589 -12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.665 -2.034 -11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.529 -1.082 -9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.211 -0.958 -9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.133 -1.808 -8.451 1.00 0.00 H new ATOM 862 N TRP A 54 -2.934 -5.770 -10.006 1.00 0.00 N ATOM 863 CA TRP A 54 -3.085 -7.126 -10.528 1.00 0.00 C ATOM 864 C TRP A 54 -3.897 -7.139 -11.824 1.00 0.00 C ATOM 865 O TRP A 54 -3.334 -7.172 -12.917 1.00 0.00 O ATOM 866 CB TRP A 54 -3.741 -8.029 -9.478 1.00 0.00 C ATOM 867 CG TRP A 54 -3.959 -9.434 -9.951 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.118 -10.151 -9.885 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.989 -10.294 -10.561 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.930 -11.404 -10.417 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.631 -11.515 -10.840 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.640 -10.150 -10.901 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -2.971 -12.585 -11.440 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -0.986 -11.212 -11.496 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.652 -12.415 -11.761 1.00 0.00 C ATOM 0 H TRP A 54 -3.721 -5.439 -9.449 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.090 -7.510 -10.755 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.117 -8.047 -8.585 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.700 -7.599 -9.188 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.048 -9.787 -9.474 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.641 -12.132 -10.486 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.119 -9.225 -10.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.482 -13.514 -11.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.056 -11.113 -11.761 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.113 -13.226 -12.229 1.00 0.00 H new ATOM 886 N MET A 55 -5.220 -7.128 -11.694 1.00 0.00 N ATOM 887 CA MET A 55 -6.107 -7.151 -12.851 1.00 0.00 C ATOM 888 C MET A 55 -6.333 -5.757 -13.447 1.00 0.00 C ATOM 889 O MET A 55 -6.536 -5.630 -14.654 1.00 0.00 O ATOM 890 CB MET A 55 -7.452 -7.769 -12.466 1.00 0.00 C ATOM 891 CG MET A 55 -7.325 -9.098 -11.740 1.00 0.00 C ATOM 892 SD MET A 55 -8.613 -10.272 -12.207 1.00 0.00 S ATOM 893 CE MET A 55 -8.397 -11.530 -10.951 1.00 0.00 C ATOM 0 H MET A 55 -5.702 -7.103 -10.796 1.00 0.00 H new ATOM 0 HA MET A 55 -5.620 -7.757 -13.615 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.996 -7.069 -11.832 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.048 -7.912 -13.367 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.348 -9.532 -11.954 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.369 -8.926 -10.665 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.343 -12.045 -10.786 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.646 -12.248 -11.280 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.070 -11.064 -10.021 1.00 0.00 H new ATOM 903 N PRO A 56 -6.319 -4.687 -12.625 1.00 0.00 N ATOM 904 CA PRO A 56 -6.543 -3.328 -13.115 1.00 0.00 C ATOM 905 C PRO A 56 -5.285 -2.689 -13.687 1.00 0.00 C ATOM 906 O PRO A 56 -4.243 -3.333 -13.806 1.00 0.00 O ATOM 907 CB PRO A 56 -6.997 -2.588 -11.861 1.00 0.00 C ATOM 908 CG PRO A 56 -6.275 -3.266 -10.750 1.00 0.00 C ATOM 909 CD PRO A 56 -6.101 -4.708 -11.165 1.00 0.00 C ATOM 0 HA PRO A 56 -7.259 -3.302 -13.936 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.744 -1.529 -11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.077 -2.652 -11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.308 -2.795 -10.572 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.840 -3.196 -9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.107 -5.078 -10.915 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.819 -5.357 -10.663 1.00 0.00 H new ATOM 917 N ASP A 57 -5.396 -1.414 -14.039 1.00 0.00 N ATOM 918 CA ASP A 57 -4.277 -0.669 -14.602 1.00 0.00 C ATOM 919 C ASP A 57 -4.611 0.818 -14.686 1.00 0.00 C ATOM 920 O ASP A 57 -4.582 1.413 -15.765 1.00 0.00 O ATOM 921 CB ASP A 57 -3.924 -1.209 -15.988 1.00 0.00 C ATOM 922 CG ASP A 57 -2.718 -0.516 -16.594 1.00 0.00 C ATOM 923 OD1 ASP A 57 -2.224 0.458 -15.987 1.00 0.00 O ATOM 924 OD2 ASP A 57 -2.267 -0.948 -17.676 1.00 0.00 O ATOM 0 H ASP A 57 -6.255 -0.872 -13.944 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.415 -0.794 -13.946 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.727 -2.279 -15.918 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.780 -1.086 -16.651 1.00 0.00 H new ATOM 929 N GLY A 58 -4.930 1.412 -13.541 1.00 0.00 N ATOM 930 CA GLY A 58 -5.270 2.824 -13.506 1.00 0.00 C ATOM 931 C GLY A 58 -4.055 3.722 -13.362 1.00 0.00 C ATOM 932 O GLY A 58 -4.189 4.913 -13.082 1.00 0.00 O ATOM 0 H GLY A 58 -4.959 0.942 -12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.803 3.087 -14.420 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.951 3.008 -12.675 1.00 0.00 H new ATOM 936 N ASP A 59 -2.866 3.154 -13.549 1.00 0.00 N ATOM 937 CA ASP A 59 -1.630 3.920 -13.435 1.00 0.00 C ATOM 938 C ASP A 59 -1.520 4.568 -12.060 1.00 0.00 C ATOM 939 O ASP A 59 -2.010 5.677 -11.843 1.00 0.00 O ATOM 940 CB ASP A 59 -1.567 4.993 -14.524 1.00 0.00 C ATOM 941 CG ASP A 59 -0.887 4.497 -15.785 1.00 0.00 C ATOM 942 OD1 ASP A 59 -1.149 3.343 -16.187 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.093 5.262 -16.371 1.00 0.00 O ATOM 0 H ASP A 59 -2.734 2.169 -13.779 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.793 3.234 -13.563 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.578 5.322 -14.765 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.031 5.862 -14.143 1.00 0.00 H new ATOM 948 N GLY A 60 -0.874 3.869 -11.134 1.00 0.00 N ATOM 949 CA GLY A 60 -0.712 4.393 -9.790 1.00 0.00 C ATOM 950 C GLY A 60 0.232 5.581 -9.730 1.00 0.00 C ATOM 951 O GLY A 60 0.341 6.238 -8.696 1.00 0.00 O ATOM 0 H GLY A 60 -0.460 2.950 -11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.686 4.689 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.336 3.603 -9.140 1.00 0.00 H new ATOM 955 N VAL A 61 0.914 5.860 -10.841 1.00 0.00 N ATOM 956 CA VAL A 61 1.848 6.975 -10.909 1.00 0.00 C ATOM 957 C VAL A 61 1.204 8.271 -10.426 1.00 0.00 C ATOM 958 O VAL A 61 1.768 8.989 -9.600 1.00 0.00 O ATOM 959 CB VAL A 61 2.361 7.179 -12.346 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.497 8.182 -12.364 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.801 5.857 -12.958 1.00 0.00 C ATOM 0 H VAL A 61 0.834 5.326 -11.706 1.00 0.00 H new ATOM 0 HA VAL A 61 2.685 6.727 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 61 1.543 7.573 -12.949 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.849 8.315 -13.387 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.145 9.137 -11.974 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.315 7.816 -11.744 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.159 6.027 -13.973 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.603 5.427 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.957 5.168 -12.982 1.00 0.00 H new ATOM 971 N ASN A 62 0.023 8.569 -10.955 1.00 0.00 N ATOM 972 CA ASN A 62 -0.703 9.763 -10.600 1.00 0.00 C ATOM 973 C ASN A 62 -1.379 9.636 -9.233 1.00 0.00 C ATOM 974 O ASN A 62 -1.990 10.588 -8.747 1.00 0.00 O ATOM 975 CB ASN A 62 -1.744 10.024 -11.676 1.00 0.00 C ATOM 976 CG ASN A 62 -2.686 8.852 -11.867 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.451 7.980 -12.704 1.00 0.00 O ATOM 978 ND2 ASN A 62 -3.763 8.825 -11.089 1.00 0.00 N ATOM 0 H ASN A 62 -0.451 7.983 -11.642 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.002 10.595 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.321 10.910 -11.412 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.241 10.240 -12.619 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.433 8.061 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.919 9.568 -10.408 1.00 0.00 H new ATOM 985 N PHE A 63 -1.279 8.458 -8.618 1.00 0.00 N ATOM 986 CA PHE A 63 -1.895 8.226 -7.316 1.00 0.00 C ATOM 987 C PHE A 63 -0.953 8.604 -6.176 1.00 0.00 C ATOM 988 O PHE A 63 -1.376 9.209 -5.188 1.00 0.00 O ATOM 989 CB PHE A 63 -2.314 6.762 -7.175 1.00 0.00 C ATOM 990 CG PHE A 63 -3.055 6.476 -5.901 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.995 7.372 -5.416 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.811 5.314 -5.185 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.677 7.117 -4.243 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.491 5.052 -4.011 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.425 5.956 -3.540 1.00 0.00 C ATOM 0 H PHE A 63 -0.780 7.655 -9.000 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.778 8.862 -7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.943 6.488 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.426 6.131 -7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.196 8.281 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.081 4.606 -5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.406 7.824 -3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.293 4.143 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.957 5.754 -2.622 1.00 0.00 H new ATOM 1005 N ILE A 64 0.323 8.245 -6.314 1.00 0.00 N ATOM 1006 CA ILE A 64 1.322 8.546 -5.290 1.00 0.00 C ATOM 1007 C ILE A 64 1.173 9.975 -4.774 1.00 0.00 C ATOM 1008 O ILE A 64 1.480 10.262 -3.617 1.00 0.00 O ATOM 1009 CB ILE A 64 2.756 8.345 -5.821 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.933 6.918 -6.344 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.777 8.645 -4.732 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.108 6.845 -7.844 1.00 0.00 C ATOM 0 H ILE A 64 0.689 7.746 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 64 1.149 7.850 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 64 2.921 9.040 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.801 6.468 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.065 6.324 -6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.783 8.498 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.664 9.678 -4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.616 7.975 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.228 5.805 -8.146 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.230 7.266 -8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.992 7.412 -8.135 1.00 0.00 H new ATOM 1024 N ASP A 65 0.696 10.864 -5.637 1.00 0.00 N ATOM 1025 CA ASP A 65 0.501 12.258 -5.261 1.00 0.00 C ATOM 1026 C ASP A 65 -0.607 12.384 -4.225 1.00 0.00 C ATOM 1027 O ASP A 65 -0.397 12.948 -3.154 1.00 0.00 O ATOM 1028 CB ASP A 65 0.172 13.105 -6.492 1.00 0.00 C ATOM 1029 CG ASP A 65 0.468 14.576 -6.276 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.651 14.965 -6.379 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.483 15.338 -6.005 1.00 0.00 O ATOM 0 H ASP A 65 0.438 10.645 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 65 1.429 12.626 -4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.748 12.742 -7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.881 12.982 -6.744 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.786 11.851 -4.542 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.920 11.901 -3.625 1.00 0.00 C ATOM 1038 C PHE A 66 -2.497 11.461 -2.227 1.00 0.00 C ATOM 1039 O PHE A 66 -2.909 12.051 -1.227 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.054 11.009 -4.142 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.155 10.776 -3.145 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.009 9.834 -2.139 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.335 11.499 -3.214 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.019 9.619 -1.221 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.349 11.287 -2.299 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.191 10.346 -1.301 1.00 0.00 C ATOM 0 H PHE A 66 -1.979 11.380 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.277 12.929 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.479 11.463 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.638 10.046 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.096 9.262 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.464 12.237 -3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.892 8.883 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.264 11.857 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.982 10.179 -0.585 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.666 10.427 -2.167 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.183 9.916 -0.891 1.00 0.00 C ATOM 1058 C ILE A 67 -0.410 10.997 -0.140 1.00 0.00 C ATOM 1059 O ILE A 67 -0.650 11.236 1.042 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.286 8.671 -1.080 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.124 7.487 -1.565 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.432 8.315 0.216 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.393 7.504 -3.052 1.00 0.00 C ATOM 0 H ILE A 67 -1.314 9.928 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.055 9.623 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 67 0.468 8.903 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.611 6.560 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.075 7.483 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.056 7.436 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.057 9.152 0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.303 8.102 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.992 6.635 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.934 8.414 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.447 7.476 -3.593 1.00 0.00 H new ATOM 1075 N LYS A 68 0.513 11.658 -0.831 1.00 0.00 N ATOM 1076 CA LYS A 68 1.302 12.712 -0.207 1.00 0.00 C ATOM 1077 C LYS A 68 0.490 14.000 -0.079 1.00 0.00 C ATOM 1078 O LYS A 68 0.827 14.879 0.713 1.00 0.00 O ATOM 1079 CB LYS A 68 2.576 12.972 -1.013 1.00 0.00 C ATOM 1080 CG LYS A 68 3.430 11.731 -1.215 1.00 0.00 C ATOM 1081 CD LYS A 68 4.519 11.625 -0.158 1.00 0.00 C ATOM 1082 CE LYS A 68 4.656 10.202 0.361 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.653 9.419 -0.420 1.00 0.00 N ATOM 0 H LYS A 68 0.731 11.485 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 68 1.578 12.380 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.304 13.378 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.169 13.733 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.798 10.843 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.884 11.758 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.469 11.953 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.290 12.295 0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.953 10.225 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.687 9.704 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.692 8.445 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.374 9.403 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.590 9.860 -0.328 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.582 14.102 -0.859 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.442 15.278 -0.828 1.00 0.00 C ATOM 1099 C GLU A 69 -2.184 15.368 0.499 1.00 0.00 C ATOM 1100 O GLU A 69 -2.180 16.409 1.158 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.441 15.233 -1.982 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.120 16.566 -2.253 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.487 16.406 -2.888 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.549 16.058 -4.086 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.497 16.628 -2.187 1.00 0.00 O ATOM 0 H GLU A 69 -0.875 13.383 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.815 16.163 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.925 14.907 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.203 14.485 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.220 17.115 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.487 17.165 -2.908 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.823 14.268 0.884 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.576 14.217 2.131 1.00 0.00 C ATOM 1114 C ASN A 70 -2.950 13.226 3.112 1.00 0.00 C ATOM 1115 O ASN A 70 -3.592 12.805 4.074 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.032 13.828 1.856 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.573 14.468 0.590 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.362 15.411 0.646 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.149 13.955 -0.561 1.00 0.00 N ATOM 0 H ASN A 70 -2.834 13.399 0.349 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.548 15.209 2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.106 12.744 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.651 14.125 2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.478 14.344 -1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.494 13.173 -0.560 1.00 0.00 H new ATOM 1126 N SER A 71 -1.696 12.857 2.865 1.00 0.00 N ATOM 1127 CA SER A 71 -0.991 11.918 3.728 1.00 0.00 C ATOM 1128 C SER A 71 0.519 12.015 3.515 1.00 0.00 C ATOM 1129 O SER A 71 1.144 11.092 2.991 1.00 0.00 O ATOM 1130 CB SER A 71 -1.471 10.490 3.459 1.00 0.00 C ATOM 1131 OG SER A 71 -2.282 10.013 4.518 1.00 0.00 O ATOM 0 H SER A 71 -1.148 13.195 2.074 1.00 0.00 H new ATOM 0 HA SER A 71 -1.209 12.175 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.034 10.463 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.611 9.833 3.332 1.00 0.00 H new ATOM 0 HG SER A 71 -2.497 10.752 5.124 1.00 0.00 H new ATOM 1137 N PRO A 72 1.128 13.142 3.918 1.00 0.00 N ATOM 1138 CA PRO A 72 2.569 13.361 3.770 1.00 0.00 C ATOM 1139 C PRO A 72 3.383 12.532 4.753 1.00 0.00 C ATOM 1140 O PRO A 72 4.588 12.349 4.585 1.00 0.00 O ATOM 1141 CB PRO A 72 2.750 14.862 4.055 1.00 0.00 C ATOM 1142 CG PRO A 72 1.370 15.429 4.162 1.00 0.00 C ATOM 1143 CD PRO A 72 0.471 14.291 4.546 1.00 0.00 C ATOM 0 HA PRO A 72 2.920 13.063 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.309 15.020 4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.310 15.347 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.333 16.222 4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.057 15.869 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.400 14.177 5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.544 14.432 4.173 1.00 0.00 H new ATOM 1151 N ASP A 73 2.709 12.035 5.777 1.00 0.00 N ATOM 1152 CA ASP A 73 3.353 11.220 6.800 1.00 0.00 C ATOM 1153 C ASP A 73 3.102 9.729 6.565 1.00 0.00 C ATOM 1154 O ASP A 73 3.606 8.885 7.306 1.00 0.00 O ATOM 1155 CB ASP A 73 2.851 11.623 8.182 1.00 0.00 C ATOM 1156 CG ASP A 73 3.919 12.310 9.011 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.886 12.831 8.417 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.788 12.329 10.253 1.00 0.00 O ATOM 0 H ASP A 73 1.710 12.182 5.924 1.00 0.00 H new ATOM 0 HA ASP A 73 4.427 11.394 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.995 12.289 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.500 10.736 8.710 1.00 0.00 H new ATOM 1163 N SER A 74 2.322 9.410 5.535 1.00 0.00 N ATOM 1164 CA SER A 74 2.011 8.022 5.214 1.00 0.00 C ATOM 1165 C SER A 74 3.131 7.384 4.401 1.00 0.00 C ATOM 1166 O SER A 74 4.106 8.045 4.044 1.00 0.00 O ATOM 1167 CB SER A 74 0.696 7.943 4.438 1.00 0.00 C ATOM 1168 OG SER A 74 0.366 6.601 4.123 1.00 0.00 O ATOM 0 H SER A 74 1.895 10.094 4.910 1.00 0.00 H new ATOM 0 HA SER A 74 1.910 7.473 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.105 8.388 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.777 8.525 3.520 1.00 0.00 H new ATOM 0 HG SER A 74 0.386 6.059 4.939 1.00 0.00 H new ATOM 1174 N VAL A 75 2.985 6.095 4.106 1.00 0.00 N ATOM 1175 CA VAL A 75 3.982 5.370 3.329 1.00 0.00 C ATOM 1176 C VAL A 75 3.408 4.926 1.987 1.00 0.00 C ATOM 1177 O VAL A 75 2.192 4.840 1.818 1.00 0.00 O ATOM 1178 CB VAL A 75 4.512 4.138 4.095 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.608 3.440 3.301 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.020 4.546 5.469 1.00 0.00 C ATOM 0 H VAL A 75 2.185 5.532 4.394 1.00 0.00 H new ATOM 0 HA VAL A 75 4.812 6.054 3.156 1.00 0.00 H new ATOM 0 HB VAL A 75 3.690 3.435 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.967 2.575 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.209 3.112 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.433 4.132 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.390 3.667 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.828 5.269 5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.207 4.995 6.039 1.00 0.00 H new ATOM 1190 N VAL A 76 4.292 4.649 1.037 1.00 0.00 N ATOM 1191 CA VAL A 76 3.872 4.219 -0.293 1.00 0.00 C ATOM 1192 C VAL A 76 4.822 3.178 -0.871 1.00 0.00 C ATOM 1193 O VAL A 76 5.716 3.504 -1.651 1.00 0.00 O ATOM 1194 CB VAL A 76 3.778 5.407 -1.274 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.712 5.146 -2.327 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.493 6.705 -0.530 1.00 0.00 C ATOM 0 H VAL A 76 5.302 4.714 1.161 1.00 0.00 H new ATOM 0 HA VAL A 76 2.883 3.776 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 76 4.740 5.511 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.660 5.994 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.965 4.245 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.746 5.012 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.431 7.527 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.548 6.617 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.296 6.901 0.181 1.00 0.00 H new ATOM 1206 N ILE A 77 4.616 1.921 -0.494 1.00 0.00 N ATOM 1207 CA ILE A 77 5.451 0.834 -0.987 1.00 0.00 C ATOM 1208 C ILE A 77 5.156 0.553 -2.457 1.00 0.00 C ATOM 1209 O ILE A 77 6.069 0.400 -3.267 1.00 0.00 O ATOM 1210 CB ILE A 77 5.240 -0.456 -0.170 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.375 -0.165 1.326 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.234 -1.524 -0.600 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.705 0.451 1.706 1.00 0.00 C ATOM 0 H ILE A 77 3.880 1.631 0.150 1.00 0.00 H new ATOM 0 HA ILE A 77 6.489 1.150 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 77 4.233 -0.828 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.573 0.507 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.242 -1.093 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.072 -2.429 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.094 -1.747 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.249 -1.163 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.729 0.630 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.512 -0.229 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.832 1.396 1.178 1.00 0.00 H new ATOM 1225 N VAL A 78 3.869 0.496 -2.795 1.00 0.00 N ATOM 1226 CA VAL A 78 3.444 0.244 -4.170 1.00 0.00 C ATOM 1227 C VAL A 78 4.174 -0.954 -4.770 1.00 0.00 C ATOM 1228 O VAL A 78 5.191 -0.801 -5.445 1.00 0.00 O ATOM 1229 CB VAL A 78 3.679 1.478 -5.065 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.942 1.330 -6.387 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.247 2.749 -4.348 1.00 0.00 C ATOM 0 H VAL A 78 3.102 0.621 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 78 2.376 0.027 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 78 4.746 1.550 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.121 2.211 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.303 0.443 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.873 1.230 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.420 3.609 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.186 2.687 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.824 2.863 -3.430 1.00 0.00 H new ATOM 1241 N ILE A 79 3.645 -2.146 -4.520 1.00 0.00 N ATOM 1242 CA ILE A 79 4.240 -3.374 -5.036 1.00 0.00 C ATOM 1243 C ILE A 79 3.392 -3.948 -6.164 1.00 0.00 C ATOM 1244 O ILE A 79 2.183 -3.732 -6.210 1.00 0.00 O ATOM 1245 CB ILE A 79 4.394 -4.439 -3.931 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.842 -3.793 -2.620 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.382 -5.512 -4.362 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.811 -4.740 -1.439 1.00 0.00 C ATOM 0 H ILE A 79 2.803 -2.289 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 79 5.230 -3.116 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 79 3.424 -4.908 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.855 -3.409 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.200 -2.938 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.479 -6.256 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.022 -5.994 -5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.354 -5.056 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.141 -4.215 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.795 -5.105 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.475 -5.583 -1.631 1.00 0.00 H new ATOM 1260 N THR A 80 4.027 -4.678 -7.074 1.00 0.00 N ATOM 1261 CA THR A 80 3.317 -5.278 -8.200 1.00 0.00 C ATOM 1262 C THR A 80 4.065 -6.496 -8.731 1.00 0.00 C ATOM 1263 O THR A 80 5.038 -6.952 -8.130 1.00 0.00 O ATOM 1264 CB THR A 80 3.127 -4.256 -9.324 1.00 0.00 C ATOM 1265 OG1 THR A 80 4.316 -4.117 -10.081 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.731 -2.881 -8.830 1.00 0.00 C ATOM 0 H THR A 80 5.029 -4.869 -7.055 1.00 0.00 H new ATOM 0 HA THR A 80 2.338 -5.599 -7.843 1.00 0.00 H new ATOM 0 HB THR A 80 2.313 -4.649 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.174 -3.461 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.614 -2.209 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.788 -2.947 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.505 -2.496 -8.167 1.00 0.00 H new ATOM 1274 N GLY A 81 3.604 -7.019 -9.862 1.00 0.00 N ATOM 1275 CA GLY A 81 4.240 -8.180 -10.458 1.00 0.00 C ATOM 1276 C GLY A 81 3.949 -8.305 -11.941 1.00 0.00 C ATOM 1277 O GLY A 81 4.844 -8.601 -12.732 1.00 0.00 O ATOM 0 H GLY A 81 2.801 -6.659 -10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.318 -8.118 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.898 -9.080 -9.947 1.00 0.00 H new ATOM 1281 N HIS A 82 2.694 -8.081 -12.317 1.00 0.00 N ATOM 1282 CA HIS A 82 2.288 -8.172 -13.715 1.00 0.00 C ATOM 1283 C HIS A 82 2.723 -6.929 -14.489 1.00 0.00 C ATOM 1284 O HIS A 82 1.891 -6.179 -15.001 1.00 0.00 O ATOM 1285 CB HIS A 82 0.771 -8.355 -13.816 1.00 0.00 C ATOM 1286 CG HIS A 82 0.357 -9.346 -14.857 1.00 0.00 C ATOM 1287 ND1 HIS A 82 0.832 -10.640 -14.897 1.00 0.00 N ATOM 1288 CD2 HIS A 82 -0.498 -9.229 -15.901 1.00 0.00 C ATOM 1289 CE1 HIS A 82 0.291 -11.275 -15.921 1.00 0.00 C ATOM 1290 NE2 HIS A 82 -0.521 -10.442 -16.546 1.00 0.00 N ATOM 0 H HIS A 82 1.941 -7.835 -11.674 1.00 0.00 H new ATOM 0 HA HIS A 82 2.778 -9.039 -14.157 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.387 -8.675 -12.848 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.311 -7.392 -14.039 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.057 -8.347 -16.175 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.480 -12.301 -16.200 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.075 -10.663 -17.373 1.00 0.00 H new ATOM 1299 N GLY A 83 4.032 -6.718 -14.569 1.00 0.00 N ATOM 1300 CA GLY A 83 4.558 -5.567 -15.279 1.00 0.00 C ATOM 1301 C GLY A 83 6.073 -5.541 -15.300 1.00 0.00 C ATOM 1302 O GLY A 83 6.720 -6.562 -15.069 1.00 0.00 O ATOM 0 H GLY A 83 4.739 -7.325 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.184 -5.573 -16.303 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.189 -4.655 -14.810 1.00 0.00 H new ATOM 1306 N SER A 84 6.640 -4.372 -15.577 1.00 0.00 N ATOM 1307 CA SER A 84 8.089 -4.218 -15.627 1.00 0.00 C ATOM 1308 C SER A 84 8.573 -3.262 -14.542 1.00 0.00 C ATOM 1309 O SER A 84 7.774 -2.576 -13.903 1.00 0.00 O ATOM 1310 CB SER A 84 8.523 -3.708 -17.002 1.00 0.00 C ATOM 1311 OG SER A 84 7.682 -2.656 -17.444 1.00 0.00 O ATOM 0 H SER A 84 6.118 -3.517 -15.770 1.00 0.00 H new ATOM 0 HA SER A 84 8.538 -5.196 -15.452 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.554 -3.358 -16.955 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.497 -4.526 -17.722 1.00 0.00 H new ATOM 0 HG SER A 84 7.981 -2.346 -18.324 1.00 0.00 H new ATOM 1317 N VAL A 85 9.886 -3.220 -14.340 1.00 0.00 N ATOM 1318 CA VAL A 85 10.478 -2.347 -13.334 1.00 0.00 C ATOM 1319 C VAL A 85 10.291 -0.872 -13.692 1.00 0.00 C ATOM 1320 O VAL A 85 10.477 0.006 -12.851 1.00 0.00 O ATOM 1321 CB VAL A 85 11.983 -2.636 -13.156 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.737 -2.376 -14.451 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.559 -1.806 -12.019 1.00 0.00 C ATOM 0 H VAL A 85 10.560 -3.781 -14.860 1.00 0.00 H new ATOM 0 HA VAL A 85 9.960 -2.553 -12.397 1.00 0.00 H new ATOM 0 HB VAL A 85 12.101 -3.689 -12.901 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.796 -2.586 -14.304 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.345 -3.022 -15.236 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.611 -1.333 -14.742 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.621 -2.025 -11.910 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.428 -0.747 -12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.041 -2.051 -11.091 1.00 0.00 H new ATOM 1333 N ASP A 86 9.924 -0.606 -14.943 1.00 0.00 N ATOM 1334 CA ASP A 86 9.717 0.763 -15.401 1.00 0.00 C ATOM 1335 C ASP A 86 8.553 1.423 -14.668 1.00 0.00 C ATOM 1336 O ASP A 86 8.481 2.649 -14.585 1.00 0.00 O ATOM 1337 CB ASP A 86 9.468 0.787 -16.910 1.00 0.00 C ATOM 1338 CG ASP A 86 9.325 2.196 -17.451 1.00 0.00 C ATOM 1339 OD1 ASP A 86 9.923 3.122 -16.864 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.616 2.373 -18.464 1.00 0.00 O ATOM 0 H ASP A 86 9.764 -1.319 -15.655 1.00 0.00 H new ATOM 0 HA ASP A 86 10.622 1.329 -15.179 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.292 0.287 -17.419 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.564 0.221 -17.135 1.00 0.00 H new ATOM 1345 N THR A 87 7.652 0.612 -14.117 1.00 0.00 N ATOM 1346 CA THR A 87 6.515 1.147 -13.376 1.00 0.00 C ATOM 1347 C THR A 87 6.963 1.528 -11.971 1.00 0.00 C ATOM 1348 O THR A 87 6.455 2.480 -11.377 1.00 0.00 O ATOM 1349 CB THR A 87 5.358 0.135 -13.328 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.113 0.809 -13.270 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.409 -0.813 -12.142 1.00 0.00 C ATOM 0 H THR A 87 7.687 -0.406 -14.169 1.00 0.00 H new ATOM 0 HA THR A 87 6.146 2.036 -13.888 1.00 0.00 H new ATOM 0 HB THR A 87 5.465 -0.453 -14.240 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.386 0.152 -13.242 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.558 -1.493 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.335 -1.387 -12.175 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.371 -0.239 -11.216 1.00 0.00 H new ATOM 1359 N ALA A 88 7.938 0.785 -11.459 1.00 0.00 N ATOM 1360 CA ALA A 88 8.486 1.043 -10.138 1.00 0.00 C ATOM 1361 C ALA A 88 9.105 2.429 -10.094 1.00 0.00 C ATOM 1362 O ALA A 88 8.711 3.280 -9.298 1.00 0.00 O ATOM 1363 CB ALA A 88 9.530 -0.006 -9.791 1.00 0.00 C ATOM 0 H ALA A 88 8.365 -0.004 -11.944 1.00 0.00 H new ATOM 0 HA ALA A 88 7.680 0.992 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.934 0.197 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.070 -0.994 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.336 0.026 -10.524 1.00 0.00 H new ATOM 1369 N VAL A 89 10.075 2.644 -10.971 1.00 0.00 N ATOM 1370 CA VAL A 89 10.759 3.923 -11.059 1.00 0.00 C ATOM 1371 C VAL A 89 9.776 5.043 -11.392 1.00 0.00 C ATOM 1372 O VAL A 89 10.026 6.211 -11.094 1.00 0.00 O ATOM 1373 CB VAL A 89 11.875 3.883 -12.121 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.824 2.729 -11.844 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.288 3.768 -13.521 1.00 0.00 C ATOM 0 H VAL A 89 10.406 1.944 -11.635 1.00 0.00 H new ATOM 0 HA VAL A 89 11.208 4.122 -10.086 1.00 0.00 H new ATOM 0 HB VAL A 89 12.435 4.817 -12.065 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.607 2.712 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.274 2.856 -10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.272 1.789 -11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.095 3.742 -14.253 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.701 2.853 -13.595 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.647 4.627 -13.719 1.00 0.00 H new ATOM 1385 N LYS A 90 8.651 4.676 -12.004 1.00 0.00 N ATOM 1386 CA LYS A 90 7.625 5.645 -12.369 1.00 0.00 C ATOM 1387 C LYS A 90 6.606 5.790 -11.242 1.00 0.00 C ATOM 1388 O LYS A 90 5.406 5.910 -11.486 1.00 0.00 O ATOM 1389 CB LYS A 90 6.924 5.211 -13.656 1.00 0.00 C ATOM 1390 CG LYS A 90 6.030 6.282 -14.259 1.00 0.00 C ATOM 1391 CD LYS A 90 5.390 5.806 -15.554 1.00 0.00 C ATOM 1392 CE LYS A 90 6.379 5.834 -16.708 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.814 4.465 -17.101 1.00 0.00 N ATOM 0 H LYS A 90 8.429 3.713 -12.257 1.00 0.00 H new ATOM 0 HA LYS A 90 8.103 6.611 -12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.677 4.924 -14.390 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.325 4.324 -13.451 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.252 6.553 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.615 7.182 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.011 4.792 -15.423 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.534 6.438 -15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.923 6.330 -17.565 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.250 6.424 -16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.574 4.532 -17.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.164 3.958 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.008 3.948 -17.507 1.00 0.00 H new ATOM 1407 N ALA A 91 7.094 5.774 -10.008 1.00 0.00 N ATOM 1408 CA ALA A 91 6.230 5.898 -8.844 1.00 0.00 C ATOM 1409 C ALA A 91 7.048 6.093 -7.572 1.00 0.00 C ATOM 1410 O ALA A 91 6.668 6.862 -6.690 1.00 0.00 O ATOM 1411 CB ALA A 91 5.341 4.670 -8.717 1.00 0.00 C ATOM 0 H ALA A 91 8.085 5.676 -9.789 1.00 0.00 H new ATOM 0 HA ALA A 91 5.601 6.778 -8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.699 4.774 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.724 4.573 -9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.962 3.781 -8.607 1.00 0.00 H new ATOM 1417 N ILE A 92 8.171 5.386 -7.484 1.00 0.00 N ATOM 1418 CA ILE A 92 9.040 5.477 -6.318 1.00 0.00 C ATOM 1419 C ILE A 92 9.820 6.789 -6.313 1.00 0.00 C ATOM 1420 O ILE A 92 10.152 7.322 -5.256 1.00 0.00 O ATOM 1421 CB ILE A 92 10.020 4.282 -6.244 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.177 4.454 -7.235 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.283 2.977 -6.515 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.152 3.295 -7.231 1.00 0.00 C ATOM 0 H ILE A 92 8.499 4.745 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 92 8.397 5.448 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 92 10.438 4.250 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.770 4.573 -8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.715 5.372 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.985 2.145 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.499 2.841 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.837 3.010 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.944 3.484 -7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.587 3.189 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.628 2.377 -7.498 1.00 0.00 H new ATOM 1436 N LYS A 93 10.103 7.306 -7.505 1.00 0.00 N ATOM 1437 CA LYS A 93 10.837 8.558 -7.637 1.00 0.00 C ATOM 1438 C LYS A 93 9.988 9.734 -7.161 1.00 0.00 C ATOM 1439 O LYS A 93 10.513 10.734 -6.672 1.00 0.00 O ATOM 1440 CB LYS A 93 11.265 8.773 -9.092 1.00 0.00 C ATOM 1441 CG LYS A 93 12.773 8.827 -9.280 1.00 0.00 C ATOM 1442 CD LYS A 93 13.178 9.950 -10.221 1.00 0.00 C ATOM 1443 CE LYS A 93 13.653 11.175 -9.456 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.459 12.087 -10.313 1.00 0.00 N ATOM 0 H LYS A 93 9.835 6.878 -8.391 1.00 0.00 H new ATOM 0 HA LYS A 93 11.728 8.499 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.859 7.968 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.828 9.702 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.256 8.969 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.126 7.875 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.972 9.603 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.332 10.220 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.791 11.714 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.250 10.860 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.764 12.910 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.295 11.581 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.882 12.409 -11.116 1.00 0.00 H new ATOM 1458 N LYS A 94 8.673 9.603 -7.306 1.00 0.00 N ATOM 1459 CA LYS A 94 7.749 10.650 -6.888 1.00 0.00 C ATOM 1460 C LYS A 94 7.805 10.863 -5.377 1.00 0.00 C ATOM 1461 O LYS A 94 7.394 11.910 -4.876 1.00 0.00 O ATOM 1462 CB LYS A 94 6.325 10.301 -7.312 1.00 0.00 C ATOM 1463 CG LYS A 94 6.055 10.533 -8.790 1.00 0.00 C ATOM 1464 CD LYS A 94 6.177 9.246 -9.589 1.00 0.00 C ATOM 1465 CE LYS A 94 6.656 9.512 -11.007 1.00 0.00 C ATOM 1466 NZ LYS A 94 8.084 9.932 -11.040 1.00 0.00 N ATOM 0 H LYS A 94 8.224 8.781 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 94 8.050 11.577 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.131 9.255 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.624 10.896 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.055 10.948 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.758 11.271 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.873 8.571 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.211 8.742 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.528 8.612 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.039 10.288 -11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.474 9.763 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.153 10.944 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.624 9.382 -10.341 1.00 0.00 H new ATOM 1480 N GLY A 95 8.316 9.869 -4.656 1.00 0.00 N ATOM 1481 CA GLY A 95 8.414 9.979 -3.213 1.00 0.00 C ATOM 1482 C GLY A 95 7.996 8.711 -2.485 1.00 0.00 C ATOM 1483 O GLY A 95 8.067 8.648 -1.258 1.00 0.00 O ATOM 0 H GLY A 95 8.663 8.992 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.441 10.223 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.790 10.806 -2.875 1.00 0.00 H new ATOM 1487 N ALA A 96 7.560 7.699 -3.233 1.00 0.00 N ATOM 1488 CA ALA A 96 7.135 6.438 -2.632 1.00 0.00 C ATOM 1489 C ALA A 96 8.249 5.829 -1.788 1.00 0.00 C ATOM 1490 O ALA A 96 9.256 6.479 -1.508 1.00 0.00 O ATOM 1491 CB ALA A 96 6.688 5.457 -3.707 1.00 0.00 C ATOM 0 H ALA A 96 7.492 7.728 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 96 6.289 6.647 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.375 4.523 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.853 5.882 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.516 5.262 -4.389 1.00 0.00 H new ATOM 1497 N TYR A 97 8.059 4.578 -1.382 1.00 0.00 N ATOM 1498 CA TYR A 97 9.046 3.883 -0.566 1.00 0.00 C ATOM 1499 C TYR A 97 9.724 2.763 -1.346 1.00 0.00 C ATOM 1500 O TYR A 97 10.177 1.778 -0.766 1.00 0.00 O ATOM 1501 CB TYR A 97 8.385 3.316 0.684 1.00 0.00 C ATOM 1502 CG TYR A 97 9.339 3.143 1.839 1.00 0.00 C ATOM 1503 CD1 TYR A 97 9.967 4.240 2.411 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.610 1.885 2.356 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.842 4.088 3.470 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.484 1.724 3.415 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.097 2.829 3.969 1.00 0.00 C ATOM 1508 OH TYR A 97 11.966 2.673 5.024 1.00 0.00 O ATOM 0 H TYR A 97 7.231 4.026 -1.605 1.00 0.00 H new ATOM 0 HA TYR A 97 9.810 4.605 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.573 3.977 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.938 2.351 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.769 5.228 2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.131 1.018 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.324 4.952 3.904 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.686 0.738 3.807 1.00 0.00 H new ATOM 0 HH TYR A 97 11.507 2.895 5.861 1.00 0.00 H new ATOM 1518 N GLU A 98 9.790 2.933 -2.660 1.00 0.00 N ATOM 1519 CA GLU A 98 10.415 1.954 -3.555 1.00 0.00 C ATOM 1520 C GLU A 98 9.470 0.795 -3.861 1.00 0.00 C ATOM 1521 O GLU A 98 8.544 0.513 -3.100 1.00 0.00 O ATOM 1522 CB GLU A 98 11.742 1.435 -2.969 1.00 0.00 C ATOM 1523 CG GLU A 98 11.641 0.097 -2.242 1.00 0.00 C ATOM 1524 CD GLU A 98 12.596 -0.001 -1.068 1.00 0.00 C ATOM 1525 OE1 GLU A 98 12.520 0.861 -0.168 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.418 -0.941 -1.048 1.00 0.00 O ATOM 0 H GLU A 98 9.414 3.751 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 98 10.634 2.463 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.467 1.339 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.133 2.180 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.620 -0.044 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.849 -0.711 -2.944 1.00 0.00 H new ATOM 1533 N PHE A 99 9.717 0.131 -4.985 1.00 0.00 N ATOM 1534 CA PHE A 99 8.899 -0.999 -5.408 1.00 0.00 C ATOM 1535 C PHE A 99 9.430 -2.304 -4.824 1.00 0.00 C ATOM 1536 O PHE A 99 10.497 -2.780 -5.212 1.00 0.00 O ATOM 1537 CB PHE A 99 8.879 -1.083 -6.935 1.00 0.00 C ATOM 1538 CG PHE A 99 7.533 -0.803 -7.542 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.855 0.369 -7.248 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.952 -1.709 -8.415 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.622 0.631 -7.813 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.719 -1.452 -8.983 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.053 -0.280 -8.681 1.00 0.00 C ATOM 0 H PHE A 99 10.481 0.358 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 99 7.885 -0.846 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.603 -0.375 -7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.204 -2.078 -7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.295 1.085 -6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.469 -2.627 -8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.103 1.548 -7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.277 -2.166 -9.662 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.089 -0.076 -9.123 1.00 0.00 H new ATOM 1553 N LEU A 100 8.681 -2.878 -3.891 1.00 0.00 N ATOM 1554 CA LEU A 100 9.075 -4.126 -3.256 1.00 0.00 C ATOM 1555 C LEU A 100 9.124 -5.262 -4.274 1.00 0.00 C ATOM 1556 O LEU A 100 8.376 -5.263 -5.252 1.00 0.00 O ATOM 1557 CB LEU A 100 8.098 -4.467 -2.131 1.00 0.00 C ATOM 1558 CG LEU A 100 8.625 -5.429 -1.066 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.040 -5.058 -0.645 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.700 -5.428 0.137 1.00 0.00 C ATOM 0 H LEU A 100 7.796 -2.497 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 100 10.074 -4.001 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.798 -3.540 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.200 -4.899 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 100 8.653 -6.431 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.390 -5.759 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.700 -5.101 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.045 -4.048 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.083 -6.116 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.649 -4.423 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.703 -5.744 -0.170 1.00 0.00 H new ATOM 1572 N GLU A 101 10.009 -6.224 -4.040 1.00 0.00 N ATOM 1573 CA GLU A 101 10.155 -7.362 -4.939 1.00 0.00 C ATOM 1574 C GLU A 101 9.421 -8.585 -4.398 1.00 0.00 C ATOM 1575 O GLU A 101 9.013 -8.613 -3.238 1.00 0.00 O ATOM 1576 CB GLU A 101 11.635 -7.693 -5.143 1.00 0.00 C ATOM 1577 CG GLU A 101 12.392 -6.634 -5.929 1.00 0.00 C ATOM 1578 CD GLU A 101 13.753 -6.331 -5.336 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.805 -5.793 -4.211 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.769 -6.632 -5.998 1.00 0.00 O ATOM 0 H GLU A 101 10.636 -6.238 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 101 9.714 -7.091 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.108 -7.819 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.717 -8.648 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.515 -6.970 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.801 -5.718 -5.960 1.00 0.00 H new ATOM 1587 N LYS A 102 9.254 -9.593 -5.249 1.00 0.00 N ATOM 1588 CA LYS A 102 8.569 -10.820 -4.859 1.00 0.00 C ATOM 1589 C LYS A 102 7.115 -10.537 -4.486 1.00 0.00 C ATOM 1590 O LYS A 102 6.771 -10.464 -3.307 1.00 0.00 O ATOM 1591 CB LYS A 102 9.293 -11.483 -3.684 1.00 0.00 C ATOM 1592 CG LYS A 102 10.127 -12.689 -4.087 1.00 0.00 C ATOM 1593 CD LYS A 102 11.614 -12.371 -4.078 1.00 0.00 C ATOM 1594 CE LYS A 102 12.448 -13.596 -4.414 1.00 0.00 C ATOM 1595 NZ LYS A 102 11.986 -14.803 -3.672 1.00 0.00 N ATOM 0 H LYS A 102 9.584 -9.584 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 102 8.580 -11.500 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.940 -10.748 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.557 -11.792 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.927 -13.515 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.831 -13.020 -5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.822 -11.579 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.900 -11.993 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.397 -13.787 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.493 -13.401 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.708 -15.549 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.832 -14.558 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.095 -15.145 -4.086 1.00 0.00 H new ATOM 1609 N PRO A 103 6.240 -10.372 -5.494 1.00 0.00 N ATOM 1610 CA PRO A 103 4.818 -10.094 -5.269 1.00 0.00 C ATOM 1611 C PRO A 103 4.046 -11.318 -4.781 1.00 0.00 C ATOM 1612 O PRO A 103 2.857 -11.230 -4.473 1.00 0.00 O ATOM 1613 CB PRO A 103 4.322 -9.669 -6.650 1.00 0.00 C ATOM 1614 CG PRO A 103 5.225 -10.368 -7.606 1.00 0.00 C ATOM 1615 CD PRO A 103 6.570 -10.441 -6.931 1.00 0.00 C ATOM 0 HA PRO A 103 4.671 -9.344 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.282 -9.958 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 103 4.374 -8.587 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.851 -11.365 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.291 -9.825 -8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 103 7.093 -11.365 -7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.216 -9.617 -7.234 1.00 0.00 H new ATOM 1623 N PHE A 104 4.727 -12.455 -4.708 1.00 0.00 N ATOM 1624 CA PHE A 104 4.103 -13.692 -4.254 1.00 0.00 C ATOM 1625 C PHE A 104 3.955 -13.696 -2.736 1.00 0.00 C ATOM 1626 O PHE A 104 2.847 -13.801 -2.211 1.00 0.00 O ATOM 1627 CB PHE A 104 4.930 -14.900 -4.700 1.00 0.00 C ATOM 1628 CG PHE A 104 5.016 -15.051 -6.192 1.00 0.00 C ATOM 1629 CD1 PHE A 104 3.962 -15.597 -6.907 1.00 0.00 C ATOM 1630 CD2 PHE A 104 6.150 -14.647 -6.878 1.00 0.00 C ATOM 1631 CE1 PHE A 104 4.038 -15.737 -8.280 1.00 0.00 C ATOM 1632 CE2 PHE A 104 6.231 -14.785 -8.251 1.00 0.00 C ATOM 1633 CZ PHE A 104 5.175 -15.330 -8.952 1.00 0.00 C ATOM 0 H PHE A 104 5.712 -12.546 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 104 3.111 -13.756 -4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.937 -14.810 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.494 -15.805 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.072 -15.917 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.979 -14.220 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.210 -16.164 -8.827 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.120 -14.466 -8.775 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.237 -15.438 -10.025 1.00 0.00 H new ATOM 1643 N SER A 105 5.079 -13.578 -2.039 1.00 0.00 N ATOM 1644 CA SER A 105 5.077 -13.564 -0.581 1.00 0.00 C ATOM 1645 C SER A 105 5.498 -12.197 -0.052 1.00 0.00 C ATOM 1646 O SER A 105 6.500 -11.632 -0.492 1.00 0.00 O ATOM 1647 CB SER A 105 6.011 -14.646 -0.038 1.00 0.00 C ATOM 1648 OG SER A 105 5.936 -14.724 1.375 1.00 0.00 O ATOM 0 H SER A 105 6.004 -13.491 -2.460 1.00 0.00 H new ATOM 0 HA SER A 105 4.062 -13.769 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.747 -15.610 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.036 -14.430 -0.339 1.00 0.00 H new ATOM 0 HG SER A 105 6.541 -15.424 1.697 1.00 0.00 H new ATOM 1654 N VAL A 106 4.728 -11.670 0.893 1.00 0.00 N ATOM 1655 CA VAL A 106 5.021 -10.368 1.479 1.00 0.00 C ATOM 1656 C VAL A 106 5.804 -10.513 2.782 1.00 0.00 C ATOM 1657 O VAL A 106 5.604 -9.753 3.731 1.00 0.00 O ATOM 1658 CB VAL A 106 3.728 -9.568 1.741 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.967 -9.345 0.444 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.854 -10.277 2.764 1.00 0.00 C ATOM 0 H VAL A 106 3.896 -12.125 1.270 1.00 0.00 H new ATOM 0 HA VAL A 106 5.631 -9.823 0.759 1.00 0.00 H new ATOM 0 HB VAL A 106 4.003 -8.595 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.058 -8.779 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.592 -8.788 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.704 -10.308 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.948 -9.696 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.586 -11.266 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.401 -10.379 3.702 1.00 0.00 H new ATOM 1670 N GLU A 107 6.709 -11.489 2.818 1.00 0.00 N ATOM 1671 CA GLU A 107 7.529 -11.720 3.998 1.00 0.00 C ATOM 1672 C GLU A 107 8.441 -10.527 4.244 1.00 0.00 C ATOM 1673 O GLU A 107 8.420 -9.926 5.318 1.00 0.00 O ATOM 1674 CB GLU A 107 8.356 -12.991 3.830 1.00 0.00 C ATOM 1675 CG GLU A 107 8.623 -13.718 5.136 1.00 0.00 C ATOM 1676 CD GLU A 107 9.766 -14.710 5.028 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.749 -14.408 4.321 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.677 -15.788 5.653 1.00 0.00 O ATOM 0 H GLU A 107 6.890 -12.129 2.045 1.00 0.00 H new ATOM 0 HA GLU A 107 6.873 -11.844 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.837 -13.665 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.308 -12.736 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.852 -12.989 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.720 -14.243 5.447 1.00 0.00 H new ATOM 1685 N ARG A 108 9.230 -10.176 3.231 1.00 0.00 N ATOM 1686 CA ARG A 108 10.133 -9.037 3.331 1.00 0.00 C ATOM 1687 C ARG A 108 9.333 -7.764 3.576 1.00 0.00 C ATOM 1688 O ARG A 108 9.795 -6.843 4.250 1.00 0.00 O ATOM 1689 CB ARG A 108 10.966 -8.899 2.055 1.00 0.00 C ATOM 1690 CG ARG A 108 12.035 -7.822 2.142 1.00 0.00 C ATOM 1691 CD ARG A 108 13.163 -8.228 3.077 1.00 0.00 C ATOM 1692 NE ARG A 108 14.471 -7.827 2.566 1.00 0.00 N ATOM 1693 CZ ARG A 108 15.566 -7.738 3.317 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.515 -8.021 4.613 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.716 -7.364 2.772 1.00 0.00 N ATOM 0 H ARG A 108 9.261 -10.663 2.335 1.00 0.00 H new ATOM 0 HA ARG A 108 10.811 -9.200 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.442 -9.855 1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.302 -8.674 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.438 -7.627 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.588 -6.892 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.002 -7.776 4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.145 -9.309 3.218 1.00 0.00 H new ATOM 0 HE ARG A 108 14.550 -7.602 1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.633 -8.308 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.357 -7.951 5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.761 -7.144 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.555 -7.296 3.348 1.00 0.00 H new ATOM 1709 N PHE A 109 8.117 -7.733 3.034 1.00 0.00 N ATOM 1710 CA PHE A 109 7.229 -6.591 3.200 1.00 0.00 C ATOM 1711 C PHE A 109 6.987 -6.333 4.684 1.00 0.00 C ATOM 1712 O PHE A 109 6.938 -5.186 5.129 1.00 0.00 O ATOM 1713 CB PHE A 109 5.899 -6.856 2.479 1.00 0.00 C ATOM 1714 CG PHE A 109 4.771 -5.958 2.908 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.773 -4.614 2.574 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.709 -6.460 3.646 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.739 -3.786 2.967 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.671 -5.636 4.041 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.687 -4.297 3.701 1.00 0.00 C ATOM 0 H PHE A 109 7.726 -8.491 2.474 1.00 0.00 H new ATOM 0 HA PHE A 109 7.694 -5.707 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.052 -6.740 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.607 -7.892 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.593 -4.208 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.693 -7.506 3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.754 -2.740 2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.849 -6.039 4.614 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.878 -3.651 4.009 1.00 0.00 H new ATOM 1729 N LEU A 110 6.844 -7.414 5.442 1.00 0.00 N ATOM 1730 CA LEU A 110 6.615 -7.322 6.879 1.00 0.00 C ATOM 1731 C LEU A 110 7.771 -6.611 7.577 1.00 0.00 C ATOM 1732 O LEU A 110 7.563 -5.677 8.352 1.00 0.00 O ATOM 1733 CB LEU A 110 6.430 -8.712 7.467 1.00 0.00 C ATOM 1734 CG LEU A 110 5.032 -8.994 8.011 1.00 0.00 C ATOM 1735 CD1 LEU A 110 4.913 -10.447 8.423 1.00 0.00 C ATOM 1736 CD2 LEU A 110 4.720 -8.076 9.184 1.00 0.00 C ATOM 0 H LEU A 110 6.883 -8.368 5.083 1.00 0.00 H new ATOM 0 HA LEU A 110 5.709 -6.738 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.662 -9.450 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.153 -8.851 8.271 1.00 0.00 H new ATOM 0 HG LEU A 110 4.306 -8.797 7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.911 -10.635 8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.095 -11.086 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.648 -10.667 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.719 -8.292 9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.448 -8.240 9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.769 -7.038 8.856 1.00 0.00 H new ATOM 1748 N LEU A 111 8.989 -7.069 7.304 1.00 0.00 N ATOM 1749 CA LEU A 111 10.184 -6.489 7.909 1.00 0.00 C ATOM 1750 C LEU A 111 10.292 -4.996 7.616 1.00 0.00 C ATOM 1751 O LEU A 111 10.568 -4.198 8.513 1.00 0.00 O ATOM 1752 CB LEU A 111 11.434 -7.208 7.406 1.00 0.00 C ATOM 1753 CG LEU A 111 11.637 -8.618 7.965 1.00 0.00 C ATOM 1754 CD1 LEU A 111 12.094 -9.568 6.868 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.641 -8.599 9.108 1.00 0.00 C ATOM 0 H LEU A 111 9.175 -7.843 6.666 1.00 0.00 H new ATOM 0 HA LEU A 111 10.103 -6.617 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.388 -7.267 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.307 -6.605 7.656 1.00 0.00 H new ATOM 0 HG LEU A 111 10.682 -8.975 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.233 -10.565 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.340 -9.605 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.037 -9.215 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.773 -9.610 9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.597 -8.221 8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.273 -7.952 9.905 1.00 0.00 H new ATOM 1767 N THR A 112 10.076 -4.621 6.360 1.00 0.00 N ATOM 1768 CA THR A 112 10.154 -3.221 5.956 1.00 0.00 C ATOM 1769 C THR A 112 9.000 -2.418 6.546 1.00 0.00 C ATOM 1770 O THR A 112 9.194 -1.315 7.056 1.00 0.00 O ATOM 1771 CB THR A 112 10.139 -3.111 4.431 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.140 -3.935 3.859 1.00 0.00 O ATOM 1773 CG2 THR A 112 10.362 -1.703 3.929 1.00 0.00 C ATOM 0 H THR A 112 9.846 -5.266 5.604 1.00 0.00 H new ATOM 0 HA THR A 112 11.089 -2.810 6.336 1.00 0.00 H new ATOM 0 HB THR A 112 9.142 -3.432 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.861 -4.873 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 112 10.339 -1.697 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.576 -1.052 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.332 -1.343 4.273 1.00 0.00 H new ATOM 1781 N ILE A 113 7.797 -2.981 6.465 1.00 0.00 N ATOM 1782 CA ILE A 113 6.591 -2.334 6.980 1.00 0.00 C ATOM 1783 C ILE A 113 6.846 -1.643 8.320 1.00 0.00 C ATOM 1784 O ILE A 113 6.538 -0.463 8.488 1.00 0.00 O ATOM 1785 CB ILE A 113 5.442 -3.360 7.133 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.621 -3.430 5.844 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.547 -3.019 8.318 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.960 -2.120 5.478 1.00 0.00 C ATOM 0 H ILE A 113 7.630 -3.894 6.043 1.00 0.00 H new ATOM 0 HA ILE A 113 6.301 -1.574 6.255 1.00 0.00 H new ATOM 0 HB ILE A 113 5.886 -4.337 7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.270 -3.741 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.854 -4.197 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.751 -3.759 8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.138 -3.023 9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.111 -2.031 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.395 -2.243 4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.285 -1.817 6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.723 -1.354 5.337 1.00 0.00 H new ATOM 1800 N LYS A 114 7.405 -2.385 9.270 1.00 0.00 N ATOM 1801 CA LYS A 114 7.698 -1.844 10.592 1.00 0.00 C ATOM 1802 C LYS A 114 8.385 -0.491 10.478 1.00 0.00 C ATOM 1803 O LYS A 114 7.947 0.494 11.072 1.00 0.00 O ATOM 1804 CB LYS A 114 8.579 -2.816 11.378 1.00 0.00 C ATOM 1805 CG LYS A 114 8.780 -2.418 12.832 1.00 0.00 C ATOM 1806 CD LYS A 114 10.006 -1.535 13.011 1.00 0.00 C ATOM 1807 CE LYS A 114 11.274 -2.230 12.536 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.295 -2.321 13.617 1.00 0.00 N ATOM 0 H LYS A 114 7.664 -3.364 9.149 1.00 0.00 H new ATOM 0 HA LYS A 114 6.756 -1.710 11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.132 -3.809 11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.552 -2.886 10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.896 -1.890 13.190 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.885 -3.314 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.870 -0.607 12.456 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.110 -1.266 14.062 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.029 -3.232 12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.690 -1.686 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.143 -2.801 13.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.548 -1.364 13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.907 -2.862 14.416 1.00 0.00 H new ATOM 1822 N HIS A 115 9.466 -0.454 9.710 1.00 0.00 N ATOM 1823 CA HIS A 115 10.222 0.777 9.512 1.00 0.00 C ATOM 1824 C HIS A 115 9.366 1.846 8.840 1.00 0.00 C ATOM 1825 O HIS A 115 9.487 3.032 9.146 1.00 0.00 O ATOM 1826 CB HIS A 115 11.469 0.504 8.672 1.00 0.00 C ATOM 1827 CG HIS A 115 12.444 1.640 8.658 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.116 2.909 8.230 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.747 1.694 9.025 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.174 3.694 8.333 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.176 2.981 8.812 1.00 0.00 N ATOM 0 H HIS A 115 9.840 -1.263 9.213 1.00 0.00 H new ATOM 0 HA HIS A 115 10.524 1.146 10.492 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.967 -0.386 9.056 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.166 0.284 7.648 1.00 0.00 H new ATOM 0 HD1 HIS A 115 11.199 3.197 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.338 0.877 9.413 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.212 4.741 8.070 1.00 0.00 H new ATOM 1840 N ALA A 116 8.500 1.421 7.924 1.00 0.00 N ATOM 1841 CA ALA A 116 7.628 2.350 7.213 1.00 0.00 C ATOM 1842 C ALA A 116 6.728 3.106 8.184 1.00 0.00 C ATOM 1843 O ALA A 116 6.485 4.301 8.020 1.00 0.00 O ATOM 1844 CB ALA A 116 6.792 1.608 6.181 1.00 0.00 C ATOM 0 H ALA A 116 8.384 0.443 7.658 1.00 0.00 H new ATOM 0 HA ALA A 116 8.255 3.077 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.147 2.315 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.450 1.119 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.179 0.858 6.681 1.00 0.00 H new ATOM 1850 N PHE A 117 6.238 2.400 9.198 1.00 0.00 N ATOM 1851 CA PHE A 117 5.366 3.002 10.200 1.00 0.00 C ATOM 1852 C PHE A 117 6.106 4.061 11.015 1.00 0.00 C ATOM 1853 O PHE A 117 5.484 4.915 11.647 1.00 0.00 O ATOM 1854 CB PHE A 117 4.811 1.923 11.130 1.00 0.00 C ATOM 1855 CG PHE A 117 3.555 1.281 10.617 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.614 0.174 9.788 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.314 1.789 10.966 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.457 -0.417 9.316 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.155 1.204 10.497 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.226 0.100 9.671 1.00 0.00 C ATOM 0 H PHE A 117 6.430 1.409 9.347 1.00 0.00 H new ATOM 0 HA PHE A 117 4.542 3.489 9.679 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.570 1.154 11.275 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.612 2.363 12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.574 -0.232 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.253 2.652 11.612 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.515 -1.281 8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.194 1.609 10.776 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.320 -0.359 9.303 1.00 0.00 H new ATOM 1870 N GLU A 118 7.436 4.001 10.998 1.00 0.00 N ATOM 1871 CA GLU A 118 8.256 4.954 11.738 1.00 0.00 C ATOM 1872 C GLU A 118 7.866 6.394 11.411 1.00 0.00 C ATOM 1873 O GLU A 118 8.076 7.301 12.217 1.00 0.00 O ATOM 1874 CB GLU A 118 9.733 4.732 11.424 1.00 0.00 C ATOM 1875 CG GLU A 118 10.669 5.257 12.500 1.00 0.00 C ATOM 1876 CD GLU A 118 11.793 6.104 11.936 1.00 0.00 C ATOM 1877 OE1 GLU A 118 11.571 6.775 10.905 1.00 0.00 O ATOM 1878 OE2 GLU A 118 12.894 6.096 12.524 1.00 0.00 O ATOM 0 H GLU A 118 7.968 3.302 10.479 1.00 0.00 H new ATOM 0 HA GLU A 118 8.084 4.789 12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.911 3.665 11.288 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.972 5.218 10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.098 5.849 13.216 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.093 4.416 13.048 1.00 0.00 H new ATOM 1885 N GLU A 119 7.296 6.598 10.227 1.00 0.00 N ATOM 1886 CA GLU A 119 6.878 7.929 9.800 1.00 0.00 C ATOM 1887 C GLU A 119 5.605 8.374 10.520 1.00 0.00 C ATOM 1888 O GLU A 119 5.170 9.517 10.378 1.00 0.00 O ATOM 1889 CB GLU A 119 6.655 7.955 8.288 1.00 0.00 C ATOM 1890 CG GLU A 119 7.889 7.576 7.484 1.00 0.00 C ATOM 1891 CD GLU A 119 8.437 8.734 6.674 1.00 0.00 C ATOM 1892 OE1 GLU A 119 7.683 9.290 5.847 1.00 0.00 O ATOM 1893 OE2 GLU A 119 9.620 9.087 6.867 1.00 0.00 O ATOM 0 H GLU A 119 7.113 5.860 9.547 1.00 0.00 H new ATOM 0 HA GLU A 119 7.675 8.625 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.844 7.271 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.333 8.954 7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.662 7.214 8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 119 7.642 6.753 6.813 1.00 0.00 H new ATOM 1900 N TYR A 120 5.010 7.469 11.292 1.00 0.00 N ATOM 1901 CA TYR A 120 3.791 7.777 12.029 1.00 0.00 C ATOM 1902 C TYR A 120 3.564 6.765 13.149 1.00 0.00 C ATOM 1903 O TYR A 120 2.561 6.050 13.162 1.00 0.00 O ATOM 1904 CB TYR A 120 2.587 7.792 11.084 1.00 0.00 C ATOM 1905 CG TYR A 120 1.531 8.804 11.465 1.00 0.00 C ATOM 1906 CD1 TYR A 120 1.701 10.154 11.186 1.00 0.00 C ATOM 1907 CD2 TYR A 120 0.362 8.410 12.105 1.00 0.00 C ATOM 1908 CE1 TYR A 120 0.738 11.082 11.533 1.00 0.00 C ATOM 1909 CE2 TYR A 120 -0.606 9.331 12.455 1.00 0.00 C ATOM 1910 CZ TYR A 120 -0.413 10.665 12.167 1.00 0.00 C ATOM 1911 OH TYR A 120 -1.375 11.586 12.515 1.00 0.00 O ATOM 0 H TYR A 120 5.353 6.517 11.423 1.00 0.00 H new ATOM 0 HA TYR A 120 3.904 8.765 12.474 1.00 0.00 H new ATOM 0 HB2 TYR A 120 2.933 8.003 10.072 1.00 0.00 H new ATOM 0 HB3 TYR A 120 2.137 6.799 11.066 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.601 10.484 10.689 1.00 0.00 H new ATOM 0 HD2 TYR A 120 0.208 7.366 12.333 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.886 12.128 11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.509 9.008 12.952 1.00 0.00 H new ATOM 0 HH TYR A 120 -2.123 11.128 12.953 1.00 0.00 H new ATOM 1921 N SER A 121 4.502 6.711 14.088 1.00 0.00 N ATOM 1922 CA SER A 121 4.405 5.788 15.213 1.00 0.00 C ATOM 1923 C SER A 121 3.147 6.058 16.033 1.00 0.00 C ATOM 1924 O SER A 121 2.609 7.165 16.015 1.00 0.00 O ATOM 1925 CB SER A 121 5.646 5.902 16.102 1.00 0.00 C ATOM 1926 OG SER A 121 6.223 4.630 16.340 1.00 0.00 O ATOM 0 H SER A 121 5.338 7.295 14.093 1.00 0.00 H new ATOM 0 HA SER A 121 4.345 4.775 14.816 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.379 6.554 15.626 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.376 6.365 17.051 1.00 0.00 H new ATOM 0 HG SER A 121 7.015 4.731 16.909 1.00 0.00 H new TER 1932 SER A 121