USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 200 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 112 THR OG1 : rot -56:sc= 1.3 USER MOD Set 1.2: A 115 THR OG1 : rot -170:sc= 1.08 USER MOD Set 2.1: A 87 THR OG1 : rot -114:sc= 1.09 USER MOD Set 2.2: A 94 ASN : amide:sc= 0.105 K(o=1.2,f=-2.3!) USER MOD Set 3.1: A 56 SER OG : rot 8:sc= -0.233 USER MOD Set 3.2: A 60 MET CE :methyl -174:sc= -1.28 (180deg=-1.34) USER MOD Set 4.1: A 7 LYS NZ :NH3+ 153:sc= -0.0298 (180deg=-0.629) USER MOD Set 4.2: A 32 ASN : amide:sc= 0.822 K(o=0.79,f=-5) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -80:sc= -0.529 USER MOD Single : A 17 MET CE :methyl -170:sc=-0.00946 (180deg=-0.239) USER MOD Single : A 23 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.9) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= -1.74 (180deg=-2.02) USER MOD Single : A 31 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.26) USER MOD Single : A 44 ASN : amide:sc= -0.268 K(o=-0.27,f=-3.8!) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= 0.562 (180deg=0.265) USER MOD Single : A 47 GLN : amide:sc= 0.242 X(o=0.24,f=-0.026) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.337 K(o=-0.34,f=-2.7!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 63 MET CE :methyl -175:sc= 0 (180deg=-0.0347) USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -0.076 (180deg=-0.0934) USER MOD Single : A 71 THR OG1 : rot 14:sc= 0.443 USER MOD Single : A 78 MET CE :methyl 173:sc= -0.0454 (180deg=-0.228) USER MOD Single : A 79 SER OG : rot 180:sc= -0.392 USER MOD Single : A 85 MET CE :methyl 171:sc= -1.1 (180deg=-1.54) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 104 SER OG : rot -2:sc= 0.295 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= 0.347 (180deg=0.317) USER MOD Single : A 119 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.288) USER MOD Single : A 121 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0629) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -13.625 -1.904 -8.505 1.00 0.00 N ATOM 38 CA LYS A 4 -14.134 -1.626 -7.143 1.00 0.00 C ATOM 39 C LYS A 4 -13.855 -2.765 -6.142 1.00 0.00 C ATOM 40 O LYS A 4 -13.418 -2.536 -5.013 1.00 0.00 O ATOM 41 CB LYS A 4 -15.641 -1.314 -7.182 1.00 0.00 C ATOM 42 CG LYS A 4 -15.903 0.041 -7.839 1.00 0.00 C ATOM 43 CD LYS A 4 -17.400 0.296 -8.019 1.00 0.00 C ATOM 44 CE LYS A 4 -17.676 1.631 -8.725 1.00 0.00 C ATOM 45 NZ LYS A 4 -17.432 2.762 -7.822 1.00 0.00 N ATOM 0 HA LYS A 4 -13.587 -0.754 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.164 -2.096 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.042 -1.315 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.469 0.833 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.407 0.078 -8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.839 -0.517 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.888 0.294 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.039 1.720 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.708 1.656 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.625 3.653 -8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.057 2.687 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.440 2.749 -7.509 1.00 0.00 H new ATOM 50 N GLU A 5 -13.957 -4.000 -6.630 1.00 0.00 N ATOM 51 CA GLU A 5 -13.699 -5.217 -5.831 1.00 0.00 C ATOM 52 C GLU A 5 -12.200 -5.561 -5.931 1.00 0.00 C ATOM 53 O GLU A 5 -11.780 -6.588 -6.453 1.00 0.00 O ATOM 54 CB GLU A 5 -14.614 -6.346 -6.341 1.00 0.00 C ATOM 55 CG GLU A 5 -14.781 -7.533 -5.377 1.00 0.00 C ATOM 56 CD GLU A 5 -13.582 -8.487 -5.324 1.00 0.00 C ATOM 57 OE1 GLU A 5 -13.515 -9.370 -6.201 1.00 0.00 O ATOM 58 OE2 GLU A 5 -12.826 -8.391 -4.329 1.00 0.00 O ATOM 0 H GLU A 5 -14.222 -4.195 -7.595 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.929 -5.067 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.598 -5.928 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.216 -6.717 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.965 -7.147 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.666 -8.099 -5.668 1.00 0.00 H new ATOM 60 N LEU A 6 -11.403 -4.602 -5.459 1.00 0.00 N ATOM 61 CA LEU A 6 -9.933 -4.677 -5.446 1.00 0.00 C ATOM 62 C LEU A 6 -9.466 -5.123 -4.052 1.00 0.00 C ATOM 63 O LEU A 6 -9.888 -4.557 -3.044 1.00 0.00 O ATOM 64 CB LEU A 6 -9.390 -3.287 -5.807 1.00 0.00 C ATOM 65 CG LEU A 6 -7.948 -3.327 -6.309 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.644 -2.050 -7.086 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.930 -3.492 -5.184 1.00 0.00 C ATOM 0 H LEU A 6 -11.763 -3.732 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.561 -5.403 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.024 -2.842 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.447 -2.641 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.858 -4.202 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.615 -2.078 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.322 -1.971 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.777 -1.187 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.924 -3.513 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.016 -2.656 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.122 -4.425 -4.654 1.00 0.00 H new ATOM 69 N LYS A 7 -8.708 -6.209 -4.045 1.00 0.00 N ATOM 70 CA LYS A 7 -8.129 -6.792 -2.818 1.00 0.00 C ATOM 71 C LYS A 7 -6.860 -6.060 -2.357 1.00 0.00 C ATOM 72 O LYS A 7 -5.819 -6.107 -3.005 1.00 0.00 O ATOM 73 CB LYS A 7 -7.930 -8.303 -3.008 1.00 0.00 C ATOM 74 CG LYS A 7 -7.677 -8.994 -1.668 1.00 0.00 C ATOM 75 CD LYS A 7 -7.858 -10.515 -1.790 1.00 0.00 C ATOM 76 CE LYS A 7 -7.761 -11.235 -0.436 1.00 0.00 C ATOM 77 NZ LYS A 7 -8.778 -10.737 0.506 1.00 0.00 N ATOM 0 H LYS A 7 -8.468 -6.724 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.834 -6.651 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.812 -8.733 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.089 -8.481 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.667 -8.771 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.363 -8.602 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.828 -10.726 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.100 -10.914 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.890 -12.308 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.767 -11.088 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.010 -11.483 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.407 -9.906 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.636 -10.470 -0.018 1.00 0.00 H new ATOM 82 N PHE A 8 -7.040 -5.283 -1.292 1.00 0.00 N ATOM 83 CA PHE A 8 -5.971 -4.483 -0.651 1.00 0.00 C ATOM 84 C PHE A 8 -5.367 -5.177 0.557 1.00 0.00 C ATOM 85 O PHE A 8 -6.021 -5.968 1.235 1.00 0.00 O ATOM 86 CB PHE A 8 -6.509 -3.169 -0.077 1.00 0.00 C ATOM 87 CG PHE A 8 -6.739 -2.057 -1.084 1.00 0.00 C ATOM 88 CD1 PHE A 8 -7.929 -2.083 -1.842 1.00 0.00 C ATOM 89 CD2 PHE A 8 -5.809 -0.996 -1.192 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.181 -1.039 -2.751 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.071 0.049 -2.103 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.258 0.018 -2.880 1.00 0.00 C ATOM 0 H PHE A 8 -7.945 -5.182 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.242 -4.333 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.451 -3.375 0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.810 -2.811 0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.635 -2.892 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.914 -0.986 -0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.080 -1.048 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.373 0.867 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.457 0.816 -3.580 1.00 0.00 H new ATOM 94 N LEU A 9 -4.069 -4.971 0.741 1.00 0.00 N ATOM 95 CA LEU A 9 -3.410 -5.475 1.951 1.00 0.00 C ATOM 96 C LEU A 9 -2.974 -4.271 2.782 1.00 0.00 C ATOM 97 O LEU A 9 -2.097 -3.501 2.386 1.00 0.00 O ATOM 98 CB LEU A 9 -2.180 -6.332 1.649 1.00 0.00 C ATOM 99 CG LEU A 9 -2.008 -7.473 2.675 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.548 -7.880 2.596 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.288 -7.167 4.140 1.00 0.00 C ATOM 0 H LEU A 9 -3.461 -4.473 0.091 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.121 -6.109 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.268 -6.754 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.290 -5.703 1.652 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.751 -8.222 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.357 -8.689 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.319 -8.218 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.082 -7.026 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.125 -8.064 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.619 -6.377 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.322 -6.840 4.252 1.00 0.00 H new ATOM 103 N VAL A 10 -3.706 -4.083 3.872 1.00 0.00 N ATOM 104 CA VAL A 10 -3.452 -2.984 4.817 1.00 0.00 C ATOM 105 C VAL A 10 -2.332 -3.423 5.759 1.00 0.00 C ATOM 106 O VAL A 10 -2.495 -4.294 6.619 1.00 0.00 O ATOM 107 CB VAL A 10 -4.760 -2.537 5.485 1.00 0.00 C ATOM 108 CG1 VAL A 10 -5.423 -3.466 6.491 1.00 0.00 C ATOM 109 CG2 VAL A 10 -4.513 -1.178 6.132 1.00 0.00 C ATOM 0 H VAL A 10 -4.491 -4.680 4.132 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.098 -2.081 4.319 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.484 -2.523 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.334 -3.002 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.670 -4.410 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.740 -3.652 7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.427 -0.834 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.721 -1.267 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.214 -0.460 5.368 1.00 0.00 H new ATOM 111 N VAL A 11 -1.141 -2.948 5.416 1.00 0.00 N ATOM 112 CA VAL A 11 0.072 -3.255 6.181 1.00 0.00 C ATOM 113 C VAL A 11 0.484 -2.022 6.991 1.00 0.00 C ATOM 114 O VAL A 11 1.277 -1.173 6.581 1.00 0.00 O ATOM 115 CB VAL A 11 1.243 -3.781 5.334 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.162 -4.557 6.279 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.824 -4.710 4.192 1.00 0.00 C ATOM 0 H VAL A 11 -0.984 -2.345 4.609 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.177 -4.080 6.848 1.00 0.00 H new ATOM 0 HB VAL A 11 1.725 -2.923 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.011 -4.951 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.522 -3.892 7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.609 -5.382 6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.709 -5.036 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.309 -5.580 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.155 -4.177 3.516 1.00 0.00 H new ATOM 119 N ASP A 12 -0.067 -1.995 8.193 1.00 0.00 N ATOM 120 CA ASP A 12 0.177 -0.896 9.136 1.00 0.00 C ATOM 121 C ASP A 12 0.483 -1.433 10.539 1.00 0.00 C ATOM 122 O ASP A 12 -0.337 -2.066 11.191 1.00 0.00 O ATOM 123 CB ASP A 12 -1.034 0.040 9.086 1.00 0.00 C ATOM 124 CG ASP A 12 -0.849 1.339 9.884 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.808 1.232 11.132 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.749 2.391 9.228 1.00 0.00 O ATOM 0 H ASP A 12 -0.690 -2.721 8.548 1.00 0.00 H new ATOM 0 HA ASP A 12 1.063 -0.326 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.245 0.291 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.906 -0.489 9.469 1.00 0.00 H new ATOM 128 N ASP A 13 1.632 -0.948 10.992 1.00 0.00 N ATOM 129 CA ASP A 13 2.251 -1.237 12.296 1.00 0.00 C ATOM 130 C ASP A 13 1.396 -0.965 13.542 1.00 0.00 C ATOM 131 O ASP A 13 1.628 -1.558 14.592 1.00 0.00 O ATOM 132 CB ASP A 13 3.565 -0.439 12.370 1.00 0.00 C ATOM 133 CG ASP A 13 3.364 1.081 12.296 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.020 1.550 11.188 1.00 0.00 O ATOM 135 OD2 ASP A 13 3.395 1.720 13.368 1.00 0.00 O ATOM 0 H ASP A 13 2.195 -0.306 10.434 1.00 0.00 H new ATOM 0 HA ASP A 13 2.401 -2.316 12.328 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.078 -0.685 13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.217 -0.751 11.554 1.00 0.00 H new ATOM 137 N PHE A 14 0.432 -0.059 13.413 1.00 0.00 N ATOM 138 CA PHE A 14 -0.452 0.319 14.523 1.00 0.00 C ATOM 139 C PHE A 14 -1.844 -0.281 14.291 1.00 0.00 C ATOM 140 O PHE A 14 -2.554 0.102 13.367 1.00 0.00 O ATOM 141 CB PHE A 14 -0.538 1.841 14.603 1.00 0.00 C ATOM 142 CG PHE A 14 -0.738 2.316 16.037 1.00 0.00 C ATOM 143 CD1 PHE A 14 0.365 2.414 16.919 1.00 0.00 C ATOM 144 CD2 PHE A 14 -2.046 2.614 16.472 1.00 0.00 C ATOM 145 CE1 PHE A 14 0.147 2.825 18.251 1.00 0.00 C ATOM 146 CE2 PHE A 14 -2.264 3.025 17.804 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.160 3.132 18.684 1.00 0.00 C ATOM 0 H PHE A 14 0.238 0.435 12.542 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.054 -0.064 15.463 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.374 2.279 14.198 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.363 2.193 13.984 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.361 2.177 16.576 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.878 2.528 15.788 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.978 2.904 18.937 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.261 3.255 18.148 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.321 3.454 19.702 1.00 0.00 H new ATOM 149 N SER A 15 -2.246 -1.096 15.256 1.00 0.00 N ATOM 150 CA SER A 15 -3.542 -1.809 15.288 1.00 0.00 C ATOM 151 C SER A 15 -4.743 -0.955 14.863 1.00 0.00 C ATOM 152 O SER A 15 -5.378 -1.235 13.852 1.00 0.00 O ATOM 153 CB SER A 15 -3.760 -2.420 16.679 1.00 0.00 C ATOM 154 OG SER A 15 -3.557 -1.422 17.694 1.00 0.00 O ATOM 0 H SER A 15 -1.668 -1.295 16.073 1.00 0.00 H new ATOM 0 HA SER A 15 -3.481 -2.599 14.539 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.769 -2.825 16.753 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.071 -3.251 16.832 1.00 0.00 H new ATOM 0 HG SER A 15 -3.700 -1.821 18.578 1.00 0.00 H new ATOM 157 N THR A 16 -4.953 0.162 15.563 1.00 0.00 N ATOM 158 CA THR A 16 -6.058 1.097 15.268 1.00 0.00 C ATOM 159 C THR A 16 -5.891 1.831 13.931 1.00 0.00 C ATOM 160 O THR A 16 -6.829 1.805 13.130 1.00 0.00 O ATOM 161 CB THR A 16 -6.263 2.144 16.363 1.00 0.00 C ATOM 162 OG1 THR A 16 -5.022 2.684 16.785 1.00 0.00 O ATOM 163 CG2 THR A 16 -7.062 1.541 17.533 1.00 0.00 C ATOM 0 H THR A 16 -4.369 0.449 16.348 1.00 0.00 H new ATOM 0 HA THR A 16 -6.936 0.453 15.214 1.00 0.00 H new ATOM 0 HB THR A 16 -6.846 2.971 15.957 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.592 2.065 17.412 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.201 2.297 18.306 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.035 1.205 17.174 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.516 0.694 17.948 1.00 0.00 H new ATOM 166 N MET A 17 -4.686 2.312 13.621 1.00 0.00 N ATOM 167 CA MET A 17 -4.431 3.031 12.354 1.00 0.00 C ATOM 168 C MET A 17 -4.703 2.118 11.138 1.00 0.00 C ATOM 169 O MET A 17 -5.365 2.519 10.185 1.00 0.00 O ATOM 170 CB MET A 17 -3.002 3.578 12.303 1.00 0.00 C ATOM 171 CG MET A 17 -2.879 4.848 11.446 1.00 0.00 C ATOM 172 SD MET A 17 -3.104 4.606 9.644 1.00 0.00 S ATOM 173 CE MET A 17 -4.376 5.803 9.317 1.00 0.00 C ATOM 0 H MET A 17 -3.868 2.221 14.223 1.00 0.00 H new ATOM 0 HA MET A 17 -5.118 3.876 12.312 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.665 3.795 13.317 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.338 2.811 11.904 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.616 5.572 11.793 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.896 5.287 11.616 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.755 5.664 8.305 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.190 5.673 10.030 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.964 6.807 9.415 1.00 0.00 H new ATOM 175 N ARG A 18 -4.310 0.850 11.281 1.00 0.00 N ATOM 176 CA ARG A 18 -4.518 -0.208 10.269 1.00 0.00 C ATOM 177 C ARG A 18 -6.017 -0.331 9.937 1.00 0.00 C ATOM 178 O ARG A 18 -6.418 -0.179 8.778 1.00 0.00 O ATOM 179 CB ARG A 18 -3.962 -1.515 10.846 1.00 0.00 C ATOM 180 CG ARG A 18 -4.012 -2.688 9.869 1.00 0.00 C ATOM 181 CD ARG A 18 -3.494 -3.978 10.498 1.00 0.00 C ATOM 182 NE ARG A 18 -4.297 -4.362 11.673 1.00 0.00 N ATOM 183 CZ ARG A 18 -4.270 -5.528 12.306 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.608 -6.582 11.840 1.00 0.00 N ATOM 185 NH2 ARG A 18 -5.028 -5.703 13.382 1.00 0.00 N ATOM 0 H ARG A 18 -3.829 0.516 12.116 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.001 0.031 9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.929 -1.355 11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.526 -1.775 11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.038 -2.836 9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.418 -2.451 8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.519 -4.780 9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.453 -3.848 10.793 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.940 -3.659 12.037 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.093 -6.514 10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.615 -7.459 12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.624 -4.945 13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.014 -6.595 13.876 1.00 0.00 H new ATOM 192 N ARG A 19 -6.826 -0.422 10.993 1.00 0.00 N ATOM 193 CA ARG A 19 -8.290 -0.495 10.884 1.00 0.00 C ATOM 194 C ARG A 19 -8.896 0.743 10.213 1.00 0.00 C ATOM 195 O ARG A 19 -9.736 0.600 9.321 1.00 0.00 O ATOM 196 CB ARG A 19 -8.940 -0.695 12.255 1.00 0.00 C ATOM 197 CG ARG A 19 -9.547 -2.090 12.345 1.00 0.00 C ATOM 198 CD ARG A 19 -10.657 -2.123 13.401 1.00 0.00 C ATOM 199 NE ARG A 19 -11.815 -1.348 12.930 1.00 0.00 N ATOM 200 CZ ARG A 19 -13.095 -1.603 13.190 1.00 0.00 C ATOM 201 NH1 ARG A 19 -13.465 -2.472 14.122 1.00 0.00 N ATOM 202 NH2 ARG A 19 -14.027 -0.819 12.659 1.00 0.00 N ATOM 0 H ARG A 19 -6.486 -0.448 11.954 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.499 -1.358 10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.198 -0.561 13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.712 0.058 12.414 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.950 -2.381 11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.773 -2.814 12.599 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.953 -3.153 13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.290 -1.711 14.341 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.618 -0.535 12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.759 -2.969 14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.455 -2.643 14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.756 -0.037 12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.013 -0.999 12.847 1.00 0.00 H new ATOM 209 N ILE A 20 -8.398 1.931 10.577 1.00 0.00 N ATOM 210 CA ILE A 20 -8.864 3.204 9.993 1.00 0.00 C ATOM 211 C ILE A 20 -8.713 3.167 8.458 1.00 0.00 C ATOM 212 O ILE A 20 -9.716 3.318 7.757 1.00 0.00 O ATOM 213 CB ILE A 20 -8.150 4.412 10.638 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.340 4.465 12.173 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.528 5.754 9.996 1.00 0.00 C ATOM 216 CD1 ILE A 20 -9.790 4.435 12.682 1.00 0.00 C ATOM 0 H ILE A 20 -7.666 2.042 11.279 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.924 3.330 10.213 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.090 4.251 10.439 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.806 3.623 12.613 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.866 5.373 12.545 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.992 6.560 10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.260 5.740 8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.601 5.916 10.096 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.794 4.477 13.771 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.333 5.292 12.284 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.272 3.515 12.353 1.00 0.00 H new ATOM 218 N VAL A 21 -7.536 2.758 7.968 1.00 0.00 N ATOM 219 CA VAL A 21 -7.273 2.643 6.513 1.00 0.00 C ATOM 220 C VAL A 21 -8.268 1.650 5.882 1.00 0.00 C ATOM 221 O VAL A 21 -8.922 1.969 4.899 1.00 0.00 O ATOM 222 CB VAL A 21 -5.854 2.158 6.175 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.557 2.440 4.706 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.731 2.780 7.007 1.00 0.00 C ATOM 0 H VAL A 21 -6.743 2.498 8.554 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.387 3.650 6.112 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.861 1.093 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.551 2.096 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.279 1.914 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.629 3.512 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.772 2.370 6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.729 3.861 6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.891 2.553 8.061 1.00 0.00 H new ATOM 226 N ARG A 22 -8.382 0.466 6.498 1.00 0.00 N ATOM 227 CA ARG A 22 -9.292 -0.618 6.092 1.00 0.00 C ATOM 228 C ARG A 22 -10.730 -0.088 5.881 1.00 0.00 C ATOM 229 O ARG A 22 -11.316 -0.252 4.817 1.00 0.00 O ATOM 230 CB ARG A 22 -9.191 -1.652 7.226 1.00 0.00 C ATOM 231 CG ARG A 22 -10.058 -2.899 7.069 1.00 0.00 C ATOM 232 CD ARG A 22 -9.967 -3.743 8.339 1.00 0.00 C ATOM 233 NE ARG A 22 -10.661 -5.015 8.122 1.00 0.00 N ATOM 234 CZ ARG A 22 -11.432 -5.660 9.004 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.746 -5.138 10.188 1.00 0.00 N ATOM 236 NH2 ARG A 22 -11.947 -6.834 8.686 1.00 0.00 N ATOM 0 H ARG A 22 -7.826 0.227 7.319 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.023 -1.062 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.151 -1.965 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.458 -1.163 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.093 -2.614 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.726 -3.480 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.923 -3.924 8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.414 -3.209 9.178 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.545 -5.452 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.396 -4.216 10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.337 -5.660 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.756 -7.244 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.536 -7.331 9.355 1.00 0.00 H new ATOM 243 N ASN A 23 -11.206 0.667 6.874 1.00 0.00 N ATOM 244 CA ASN A 23 -12.529 1.316 6.870 1.00 0.00 C ATOM 245 C ASN A 23 -12.653 2.381 5.767 1.00 0.00 C ATOM 246 O ASN A 23 -13.628 2.381 5.015 1.00 0.00 O ATOM 247 CB ASN A 23 -12.814 1.905 8.260 1.00 0.00 C ATOM 248 CG ASN A 23 -12.876 0.836 9.377 1.00 0.00 C ATOM 249 OD1 ASN A 23 -12.336 0.979 10.461 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.529 -0.277 9.114 1.00 0.00 N ATOM 0 H ASN A 23 -10.674 0.851 7.725 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.281 0.560 6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.039 2.632 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.760 2.445 8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.582 -1.015 9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.982 -0.401 8.209 1.00 0.00 H new ATOM 254 N LEU A 24 -11.611 3.197 5.604 1.00 0.00 N ATOM 255 CA LEU A 24 -11.523 4.240 4.561 1.00 0.00 C ATOM 256 C LEU A 24 -11.725 3.645 3.157 1.00 0.00 C ATOM 257 O LEU A 24 -12.584 4.099 2.410 1.00 0.00 O ATOM 258 CB LEU A 24 -10.156 4.947 4.583 1.00 0.00 C ATOM 259 CG LEU A 24 -9.928 5.837 5.809 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.560 6.535 5.709 1.00 0.00 C ATOM 261 CD2 LEU A 24 -11.001 6.910 6.016 1.00 0.00 C ATOM 0 H LEU A 24 -10.785 3.157 6.201 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.313 4.958 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.369 4.194 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.060 5.555 3.684 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.974 5.164 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.408 7.165 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.771 5.784 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.531 7.151 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.764 7.495 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.031 7.567 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.973 6.433 6.145 1.00 0.00 H new ATOM 263 N LEU A 25 -10.965 2.594 2.884 1.00 0.00 N ATOM 264 CA LEU A 25 -11.019 1.846 1.607 1.00 0.00 C ATOM 265 C LEU A 25 -12.452 1.436 1.235 1.00 0.00 C ATOM 266 O LEU A 25 -12.967 1.816 0.185 1.00 0.00 O ATOM 267 CB LEU A 25 -10.127 0.596 1.647 1.00 0.00 C ATOM 268 CG LEU A 25 -8.670 0.998 1.826 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.805 -0.196 2.213 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.085 1.669 0.572 1.00 0.00 C ATOM 0 H LEU A 25 -10.281 2.221 3.542 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.645 2.527 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.436 -0.055 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.244 0.026 0.725 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.659 1.727 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.771 0.127 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.165 -0.617 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.860 -0.954 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.044 1.935 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.141 0.979 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.655 2.569 0.342 1.00 0.00 H new ATOM 272 N LYS A 26 -13.126 0.858 2.230 1.00 0.00 N ATOM 273 CA LYS A 26 -14.533 0.430 2.097 1.00 0.00 C ATOM 274 C LYS A 26 -15.465 1.598 1.738 1.00 0.00 C ATOM 275 O LYS A 26 -16.140 1.557 0.710 1.00 0.00 O ATOM 276 CB LYS A 26 -15.032 -0.280 3.364 1.00 0.00 C ATOM 277 CG LYS A 26 -14.478 -1.706 3.449 1.00 0.00 C ATOM 278 CD LYS A 26 -15.133 -2.512 4.580 1.00 0.00 C ATOM 279 CE LYS A 26 -14.597 -2.197 5.985 1.00 0.00 C ATOM 280 NZ LYS A 26 -13.253 -2.783 6.132 1.00 0.00 N ATOM 0 H LYS A 26 -12.722 0.671 3.148 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.559 -0.282 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.728 0.285 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.122 -0.309 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.641 -2.215 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.400 -1.667 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.207 -2.326 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.990 -3.574 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.556 -1.119 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.268 -2.601 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.934 -2.677 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.286 -3.793 5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.590 -2.293 5.498 1.00 0.00 H new ATOM 285 N GLU A 27 -15.267 2.727 2.436 1.00 0.00 N ATOM 286 CA GLU A 27 -16.008 3.983 2.241 1.00 0.00 C ATOM 287 C GLU A 27 -15.868 4.542 0.809 1.00 0.00 C ATOM 288 O GLU A 27 -16.837 5.043 0.242 1.00 0.00 O ATOM 289 CB GLU A 27 -15.449 4.980 3.261 1.00 0.00 C ATOM 290 CG GLU A 27 -15.931 4.732 4.692 1.00 0.00 C ATOM 291 CD GLU A 27 -15.174 5.616 5.691 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.456 6.835 5.703 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.330 5.056 6.421 1.00 0.00 O ATOM 0 H GLU A 27 -14.566 2.793 3.174 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.074 3.806 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.360 4.935 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.732 5.989 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.000 4.935 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.789 3.683 4.950 1.00 0.00 H new ATOM 295 N LEU A 28 -14.667 4.414 0.250 1.00 0.00 N ATOM 296 CA LEU A 28 -14.312 4.856 -1.127 1.00 0.00 C ATOM 297 C LEU A 28 -14.933 3.999 -2.246 1.00 0.00 C ATOM 298 O LEU A 28 -14.946 4.403 -3.410 1.00 0.00 O ATOM 299 CB LEU A 28 -12.794 4.798 -1.320 1.00 0.00 C ATOM 300 CG LEU A 28 -11.988 5.644 -0.325 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.510 5.312 -0.473 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.248 7.140 -0.485 1.00 0.00 C ATOM 0 H LEU A 28 -13.881 3.990 0.743 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.709 5.868 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.471 3.760 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.557 5.128 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.315 5.394 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.931 5.909 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.352 4.253 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.187 5.535 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.653 7.692 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.971 7.452 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.306 7.345 -0.320 1.00 0.00 H new ATOM 304 N GLY A 29 -15.371 2.795 -1.876 1.00 0.00 N ATOM 305 CA GLY A 29 -15.968 1.809 -2.790 1.00 0.00 C ATOM 306 C GLY A 29 -15.092 0.561 -3.004 1.00 0.00 C ATOM 307 O GLY A 29 -15.417 -0.285 -3.839 1.00 0.00 O ATOM 0 H GLY A 29 -15.321 2.467 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.936 1.500 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.152 2.284 -3.754 1.00 0.00 H new ATOM 309 N PHE A 30 -14.034 0.427 -2.204 1.00 0.00 N ATOM 310 CA PHE A 30 -13.093 -0.710 -2.270 1.00 0.00 C ATOM 311 C PHE A 30 -13.468 -1.769 -1.226 1.00 0.00 C ATOM 312 O PHE A 30 -13.114 -1.716 -0.054 1.00 0.00 O ATOM 313 CB PHE A 30 -11.642 -0.237 -2.142 1.00 0.00 C ATOM 314 CG PHE A 30 -11.227 0.640 -3.319 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.245 0.116 -4.639 1.00 0.00 C ATOM 316 CD2 PHE A 30 -10.907 1.995 -3.079 1.00 0.00 C ATOM 317 CE1 PHE A 30 -10.962 0.958 -5.724 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.621 2.845 -4.176 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.652 2.314 -5.485 1.00 0.00 C ATOM 0 H PHE A 30 -13.797 1.107 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.173 -1.180 -3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.522 0.320 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.981 -1.102 -2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.476 -0.926 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.881 2.379 -2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.981 0.573 -6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.382 3.886 -4.014 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.433 2.961 -6.322 1.00 0.00 H new ATOM 321 N ASN A 31 -14.220 -2.709 -1.770 1.00 0.00 N ATOM 322 CA ASN A 31 -14.825 -3.865 -1.072 1.00 0.00 C ATOM 323 C ASN A 31 -13.896 -4.896 -0.404 1.00 0.00 C ATOM 324 O ASN A 31 -14.231 -5.381 0.674 1.00 0.00 O ATOM 325 CB ASN A 31 -15.732 -4.640 -2.039 1.00 0.00 C ATOM 326 CG ASN A 31 -16.548 -3.791 -3.018 1.00 0.00 C ATOM 327 OD1 ASN A 31 -16.533 -4.010 -4.214 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.179 -2.730 -2.549 1.00 0.00 N ATOM 0 H ASN A 31 -14.447 -2.700 -2.764 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.346 -3.379 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.113 -5.328 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.422 -5.246 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.654 -2.094 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.192 -2.546 -1.546 1.00 0.00 H new ATOM 332 N ASN A 32 -12.723 -5.170 -0.982 1.00 0.00 N ATOM 333 CA ASN A 32 -11.858 -6.231 -0.431 1.00 0.00 C ATOM 334 C ASN A 32 -10.537 -5.755 0.199 1.00 0.00 C ATOM 335 O ASN A 32 -9.729 -5.071 -0.416 1.00 0.00 O ATOM 336 CB ASN A 32 -11.616 -7.256 -1.547 1.00 0.00 C ATOM 337 CG ASN A 32 -11.438 -8.672 -1.012 1.00 0.00 C ATOM 338 OD1 ASN A 32 -11.039 -8.926 0.111 1.00 0.00 O ATOM 339 ND2 ASN A 32 -11.742 -9.646 -1.852 1.00 0.00 N ATOM 0 H ASN A 32 -12.354 -4.693 -1.805 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.384 -6.672 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.456 -7.237 -2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.729 -6.970 -2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.643 -10.619 -1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.075 -9.425 -2.790 1.00 0.00 H new ATOM 343 N VAL A 33 -10.338 -6.169 1.458 1.00 0.00 N ATOM 344 CA VAL A 33 -9.135 -5.818 2.237 1.00 0.00 C ATOM 345 C VAL A 33 -8.680 -6.894 3.250 1.00 0.00 C ATOM 346 O VAL A 33 -9.493 -7.522 3.923 1.00 0.00 O ATOM 347 CB VAL A 33 -9.399 -4.446 2.893 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.557 -4.433 3.897 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.132 -3.856 3.536 1.00 0.00 C ATOM 0 H VAL A 33 -11.001 -6.754 1.966 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.284 -5.763 1.558 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.705 -3.809 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.671 -3.430 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.478 -4.725 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.346 -5.134 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.367 -2.891 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.765 -4.534 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.365 -3.724 2.773 1.00 0.00 H new ATOM 351 N GLU A 34 -7.368 -7.134 3.271 1.00 0.00 N ATOM 352 CA GLU A 34 -6.717 -8.049 4.231 1.00 0.00 C ATOM 353 C GLU A 34 -5.809 -7.233 5.155 1.00 0.00 C ATOM 354 O GLU A 34 -5.350 -6.158 4.780 1.00 0.00 O ATOM 355 CB GLU A 34 -5.942 -9.177 3.561 1.00 0.00 C ATOM 356 CG GLU A 34 -6.787 -10.460 3.438 1.00 0.00 C ATOM 357 CD GLU A 34 -7.259 -11.029 4.787 1.00 0.00 C ATOM 358 OE1 GLU A 34 -6.512 -10.899 5.792 1.00 0.00 O ATOM 359 OE2 GLU A 34 -8.382 -11.575 4.783 1.00 0.00 O ATOM 0 H GLU A 34 -6.715 -6.699 2.619 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.502 -8.538 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.620 -8.858 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.041 -9.390 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.659 -10.251 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.202 -11.220 2.919 1.00 0.00 H new ATOM 361 N GLU A 35 -5.449 -7.810 6.294 1.00 0.00 N ATOM 362 CA GLU A 35 -4.664 -7.072 7.303 1.00 0.00 C ATOM 363 C GLU A 35 -3.333 -7.717 7.715 1.00 0.00 C ATOM 364 O GLU A 35 -3.235 -8.933 7.881 1.00 0.00 O ATOM 365 CB GLU A 35 -5.484 -6.898 8.591 1.00 0.00 C ATOM 366 CG GLU A 35 -6.754 -6.038 8.499 1.00 0.00 C ATOM 367 CD GLU A 35 -7.840 -6.578 7.557 1.00 0.00 C ATOM 368 OE1 GLU A 35 -8.334 -7.696 7.823 1.00 0.00 O ATOM 369 OE2 GLU A 35 -8.112 -5.889 6.539 1.00 0.00 O ATOM 0 H GLU A 35 -5.678 -8.770 6.550 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.432 -6.129 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.770 -7.888 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.834 -6.462 9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.179 -5.937 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.474 -5.038 8.169 1.00 0.00 H new ATOM 371 N ALA A 36 -2.293 -6.889 7.685 1.00 0.00 N ATOM 372 CA ALA A 36 -0.921 -7.221 8.127 1.00 0.00 C ATOM 373 C ALA A 36 -0.322 -6.032 8.894 1.00 0.00 C ATOM 374 O ALA A 36 -0.775 -4.893 8.744 1.00 0.00 O ATOM 375 CB ALA A 36 -0.048 -7.571 6.914 1.00 0.00 C ATOM 0 H ALA A 36 -2.374 -5.932 7.342 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.956 -8.086 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.960 -7.814 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.474 -8.429 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.009 -6.719 6.236 1.00 0.00 H new ATOM 377 N GLU A 37 0.665 -6.278 9.753 1.00 0.00 N ATOM 378 CA GLU A 37 1.266 -5.169 10.532 1.00 0.00 C ATOM 379 C GLU A 37 2.733 -4.809 10.242 1.00 0.00 C ATOM 380 O GLU A 37 3.058 -3.632 10.091 1.00 0.00 O ATOM 381 CB GLU A 37 1.034 -5.315 12.039 1.00 0.00 C ATOM 382 CG GLU A 37 -0.437 -5.091 12.384 1.00 0.00 C ATOM 383 CD GLU A 37 -0.669 -4.777 13.865 1.00 0.00 C ATOM 384 OE1 GLU A 37 -0.745 -5.748 14.651 1.00 0.00 O ATOM 385 OE2 GLU A 37 -0.752 -3.570 14.185 1.00 0.00 O ATOM 0 H GLU A 37 1.063 -7.200 9.933 1.00 0.00 H new ATOM 0 HA GLU A 37 0.708 -4.313 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.342 -6.309 12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.652 -4.597 12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.824 -4.270 11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.006 -5.981 12.115 1.00 0.00 H new ATOM 387 N ASP A 38 3.550 -5.825 10.011 1.00 0.00 N ATOM 388 CA ASP A 38 4.990 -5.646 9.733 1.00 0.00 C ATOM 389 C ASP A 38 5.345 -6.296 8.380 1.00 0.00 C ATOM 390 O ASP A 38 4.710 -7.280 8.014 1.00 0.00 O ATOM 391 CB ASP A 38 5.804 -6.266 10.882 1.00 0.00 C ATOM 392 CG ASP A 38 5.694 -7.793 10.982 1.00 0.00 C ATOM 393 OD1 ASP A 38 4.665 -8.252 11.513 1.00 0.00 O ATOM 394 OD2 ASP A 38 6.517 -8.450 10.312 1.00 0.00 O ATOM 0 H ASP A 38 3.247 -6.799 10.008 1.00 0.00 H new ATOM 0 HA ASP A 38 5.232 -4.585 9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.853 -5.997 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.474 -5.827 11.824 1.00 0.00 H new ATOM 396 N GLY A 39 6.472 -5.871 7.800 1.00 0.00 N ATOM 397 CA GLY A 39 6.981 -6.371 6.506 1.00 0.00 C ATOM 398 C GLY A 39 6.949 -7.890 6.292 1.00 0.00 C ATOM 399 O GLY A 39 6.432 -8.362 5.276 1.00 0.00 O ATOM 0 H GLY A 39 7.070 -5.159 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.402 -5.903 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.011 -6.033 6.392 1.00 0.00 H new ATOM 401 N VAL A 40 7.390 -8.644 7.301 1.00 0.00 N ATOM 402 CA VAL A 40 7.404 -10.131 7.243 1.00 0.00 C ATOM 403 C VAL A 40 5.969 -10.671 7.103 1.00 0.00 C ATOM 404 O VAL A 40 5.637 -11.272 6.078 1.00 0.00 O ATOM 405 CB VAL A 40 8.114 -10.753 8.460 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.259 -12.265 8.282 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.517 -10.157 8.684 1.00 0.00 C ATOM 0 H VAL A 40 7.746 -8.260 8.176 1.00 0.00 H new ATOM 0 HA VAL A 40 7.977 -10.423 6.363 1.00 0.00 H new ATOM 0 HB VAL A 40 7.494 -10.527 9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.763 -12.687 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.272 -12.716 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.846 -12.471 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.977 -10.627 9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.134 -10.338 7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.433 -9.084 8.854 1.00 0.00 H new ATOM 409 N ASP A 41 5.101 -10.267 8.031 1.00 0.00 N ATOM 410 CA ASP A 41 3.670 -10.668 8.044 1.00 0.00 C ATOM 411 C ASP A 41 2.980 -10.268 6.731 1.00 0.00 C ATOM 412 O ASP A 41 2.125 -10.998 6.232 1.00 0.00 O ATOM 413 CB ASP A 41 3.005 -10.002 9.259 1.00 0.00 C ATOM 414 CG ASP A 41 1.581 -10.507 9.530 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.403 -11.734 9.635 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.718 -9.607 9.681 1.00 0.00 O ATOM 0 H ASP A 41 5.358 -9.651 8.802 1.00 0.00 H new ATOM 0 HA ASP A 41 3.579 -11.751 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.619 -10.179 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.976 -8.924 9.102 1.00 0.00 H new ATOM 418 N ALA A 42 3.414 -9.139 6.181 1.00 0.00 N ATOM 419 CA ALA A 42 2.935 -8.593 4.895 1.00 0.00 C ATOM 420 C ALA A 42 3.268 -9.552 3.755 1.00 0.00 C ATOM 421 O ALA A 42 2.338 -10.115 3.180 1.00 0.00 O ATOM 422 CB ALA A 42 3.566 -7.225 4.659 1.00 0.00 C ATOM 0 H ALA A 42 4.127 -8.556 6.620 1.00 0.00 H new ATOM 0 HA ALA A 42 1.852 -8.479 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.214 -6.821 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.285 -6.550 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.651 -7.325 4.630 1.00 0.00 H new ATOM 424 N LEU A 43 4.549 -9.910 3.614 1.00 0.00 N ATOM 425 CA LEU A 43 5.025 -10.859 2.589 1.00 0.00 C ATOM 426 C LEU A 43 4.283 -12.198 2.716 1.00 0.00 C ATOM 427 O LEU A 43 3.730 -12.679 1.729 1.00 0.00 O ATOM 428 CB LEU A 43 6.538 -11.108 2.675 1.00 0.00 C ATOM 429 CG LEU A 43 7.377 -9.938 2.158 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.849 -10.199 2.471 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.208 -9.712 0.649 1.00 0.00 C ATOM 0 H LEU A 43 5.294 -9.549 4.210 1.00 0.00 H new ATOM 0 HA LEU A 43 4.816 -10.405 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.807 -11.308 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.784 -12.003 2.103 1.00 0.00 H new ATOM 0 HG LEU A 43 7.028 -9.036 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.452 -9.368 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.980 -10.295 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.167 -11.121 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.825 -8.870 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.516 -10.608 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.162 -9.497 0.428 1.00 0.00 H new ATOM 433 N ASN A 44 4.125 -12.666 3.953 1.00 0.00 N ATOM 434 CA ASN A 44 3.394 -13.915 4.289 1.00 0.00 C ATOM 435 C ASN A 44 1.974 -13.894 3.691 1.00 0.00 C ATOM 436 O ASN A 44 1.624 -14.753 2.877 1.00 0.00 O ATOM 437 CB ASN A 44 3.331 -14.067 5.814 1.00 0.00 C ATOM 438 CG ASN A 44 4.688 -14.309 6.491 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.020 -13.730 7.511 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.531 -15.143 5.912 1.00 0.00 N ATOM 0 H ASN A 44 4.502 -12.190 4.772 1.00 0.00 H new ATOM 0 HA ASN A 44 3.924 -14.766 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.884 -13.167 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.667 -14.897 6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.453 -15.300 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.260 -15.631 5.058 1.00 0.00 H new ATOM 444 N LYS A 45 1.220 -12.856 4.042 1.00 0.00 N ATOM 445 CA LYS A 45 -0.150 -12.597 3.558 1.00 0.00 C ATOM 446 C LYS A 45 -0.200 -12.453 2.027 1.00 0.00 C ATOM 447 O LYS A 45 -0.813 -13.270 1.338 1.00 0.00 O ATOM 448 CB LYS A 45 -0.674 -11.309 4.204 1.00 0.00 C ATOM 449 CG LYS A 45 -1.680 -11.545 5.329 1.00 0.00 C ATOM 450 CD LYS A 45 -1.024 -12.039 6.619 1.00 0.00 C ATOM 451 CE LYS A 45 -2.060 -12.161 7.731 1.00 0.00 C ATOM 452 NZ LYS A 45 -1.390 -12.585 8.973 1.00 0.00 N ATOM 0 H LYS A 45 1.549 -12.143 4.693 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.772 -13.448 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.170 -10.742 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.141 -10.693 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.215 -10.617 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.420 -12.275 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.551 -13.006 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.237 -11.348 6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.562 -11.206 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.827 -12.884 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.932 -12.245 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.335 -13.623 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.430 -12.186 9.003 1.00 0.00 H new ATOM 457 N LEU A 46 0.654 -11.559 1.532 1.00 0.00 N ATOM 458 CA LEU A 46 0.827 -11.188 0.113 1.00 0.00 C ATOM 459 C LEU A 46 1.156 -12.367 -0.823 1.00 0.00 C ATOM 460 O LEU A 46 0.567 -12.482 -1.901 1.00 0.00 O ATOM 461 CB LEU A 46 1.948 -10.143 0.123 1.00 0.00 C ATOM 462 CG LEU A 46 1.761 -8.931 -0.788 1.00 0.00 C ATOM 463 CD1 LEU A 46 0.355 -8.326 -0.804 1.00 0.00 C ATOM 464 CD2 LEU A 46 2.777 -7.895 -0.312 1.00 0.00 C ATOM 0 H LEU A 46 1.286 -11.038 2.141 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.110 -10.809 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.071 -9.785 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.878 -10.638 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 46 1.911 -9.253 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.334 -7.473 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.360 -9.076 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.089 -7.998 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.696 -6.998 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.578 -7.642 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.783 -8.305 -0.400 1.00 0.00 H new ATOM 466 N GLN A 47 1.958 -13.294 -0.306 1.00 0.00 N ATOM 467 CA GLN A 47 2.412 -14.523 -1.000 1.00 0.00 C ATOM 468 C GLN A 47 1.260 -15.383 -1.545 1.00 0.00 C ATOM 469 O GLN A 47 1.416 -16.027 -2.585 1.00 0.00 O ATOM 470 CB GLN A 47 3.237 -15.336 0.003 1.00 0.00 C ATOM 471 CG GLN A 47 4.391 -16.110 -0.636 1.00 0.00 C ATOM 472 CD GLN A 47 5.517 -15.179 -1.098 1.00 0.00 C ATOM 473 OE1 GLN A 47 6.205 -14.517 -0.325 1.00 0.00 O ATOM 474 NE2 GLN A 47 5.717 -15.092 -2.396 1.00 0.00 N ATOM 0 H GLN A 47 2.330 -13.219 0.641 1.00 0.00 H new ATOM 0 HA GLN A 47 2.998 -14.227 -1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.638 -14.663 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.580 -16.038 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.786 -16.830 0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.019 -16.680 -1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.146 -15.642 -3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.443 -14.475 -2.760 1.00 0.00 H new ATOM 478 N ALA A 48 0.112 -15.338 -0.871 1.00 0.00 N ATOM 479 CA ALA A 48 -1.103 -16.086 -1.245 1.00 0.00 C ATOM 480 C ALA A 48 -1.723 -15.663 -2.595 1.00 0.00 C ATOM 481 O ALA A 48 -2.439 -16.450 -3.214 1.00 0.00 O ATOM 482 CB ALA A 48 -2.148 -15.937 -0.133 1.00 0.00 C ATOM 0 H ALA A 48 -0.009 -14.771 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.796 -17.125 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.049 -16.488 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.746 -16.334 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.393 -14.883 -0.003 1.00 0.00 H new ATOM 484 N GLY A 49 -1.424 -14.438 -3.035 1.00 0.00 N ATOM 485 CA GLY A 49 -1.925 -13.864 -4.300 1.00 0.00 C ATOM 486 C GLY A 49 -3.299 -13.197 -4.128 1.00 0.00 C ATOM 487 O GLY A 49 -3.756 -12.953 -3.010 1.00 0.00 O ATOM 0 H GLY A 49 -0.817 -13.801 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.210 -13.130 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.996 -14.650 -5.052 1.00 0.00 H new ATOM 489 N GLY A 50 -3.868 -12.788 -5.257 1.00 0.00 N ATOM 490 CA GLY A 50 -5.182 -12.108 -5.299 1.00 0.00 C ATOM 491 C GLY A 50 -5.142 -10.602 -4.964 1.00 0.00 C ATOM 492 O GLY A 50 -6.017 -9.847 -5.374 1.00 0.00 O ATOM 0 H GLY A 50 -3.441 -12.913 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.609 -12.233 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.855 -12.604 -4.599 1.00 0.00 H new ATOM 494 N TYR A 51 -4.140 -10.194 -4.179 1.00 0.00 N ATOM 495 CA TYR A 51 -3.940 -8.791 -3.761 1.00 0.00 C ATOM 496 C TYR A 51 -3.546 -7.901 -4.935 1.00 0.00 C ATOM 497 O TYR A 51 -2.404 -7.915 -5.398 1.00 0.00 O ATOM 498 CB TYR A 51 -2.859 -8.666 -2.691 1.00 0.00 C ATOM 499 CG TYR A 51 -3.159 -9.488 -1.447 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.016 -8.949 -0.469 1.00 0.00 C ATOM 501 CD2 TYR A 51 -2.580 -10.763 -1.324 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.275 -9.716 0.684 1.00 0.00 C ATOM 503 CE2 TYR A 51 -2.848 -11.529 -0.173 1.00 0.00 C ATOM 504 CZ TYR A 51 -3.679 -10.988 0.829 1.00 0.00 C ATOM 505 OH TYR A 51 -3.790 -11.642 2.007 1.00 0.00 O ATOM 0 H TYR A 51 -3.434 -10.830 -3.809 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.898 -8.464 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.903 -8.984 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.752 -7.618 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.463 -7.974 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.938 -11.150 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.927 -9.332 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.423 -12.516 -0.060 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.328 -12.504 1.947 1.00 0.00 H new ATOM 508 N GLY A 52 -4.490 -7.058 -5.317 1.00 0.00 N ATOM 509 CA GLY A 52 -4.326 -6.091 -6.422 1.00 0.00 C ATOM 510 C GLY A 52 -3.713 -4.758 -5.951 1.00 0.00 C ATOM 511 O GLY A 52 -3.743 -3.800 -6.719 1.00 0.00 O ATOM 0 H GLY A 52 -5.407 -7.014 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.690 -6.528 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.296 -5.900 -6.880 1.00 0.00 H new ATOM 513 N PHE A 53 -3.357 -4.667 -4.663 1.00 0.00 N ATOM 514 CA PHE A 53 -2.749 -3.465 -4.054 1.00 0.00 C ATOM 515 C PHE A 53 -2.131 -3.726 -2.675 1.00 0.00 C ATOM 516 O PHE A 53 -2.687 -4.448 -1.832 1.00 0.00 O ATOM 517 CB PHE A 53 -3.819 -2.384 -3.859 1.00 0.00 C ATOM 518 CG PHE A 53 -3.374 -1.018 -4.365 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.289 -0.340 -3.752 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.105 -0.426 -5.420 1.00 0.00 C ATOM 521 CE1 PHE A 53 -1.930 0.933 -4.216 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.747 0.859 -5.877 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.663 1.527 -5.262 1.00 0.00 C ATOM 0 H PHE A 53 -3.483 -5.433 -4.002 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.961 -3.154 -4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.729 -2.681 -4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.067 -2.311 -2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.747 -0.799 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.931 -0.954 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.095 1.456 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.292 1.326 -6.684 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.391 2.515 -5.602 1.00 0.00 H new ATOM 525 N VAL A 54 -1.017 -3.041 -2.446 1.00 0.00 N ATOM 526 CA VAL A 54 -0.262 -3.096 -1.172 1.00 0.00 C ATOM 527 C VAL A 54 -0.176 -1.668 -0.622 1.00 0.00 C ATOM 528 O VAL A 54 0.369 -0.773 -1.271 1.00 0.00 O ATOM 529 CB VAL A 54 1.173 -3.636 -1.346 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.860 -3.815 0.023 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.201 -4.970 -2.091 1.00 0.00 C ATOM 0 H VAL A 54 -0.597 -2.421 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.785 -3.775 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 54 1.712 -2.897 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.870 -4.197 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.906 -2.854 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.290 -4.521 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.232 -5.310 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.626 -5.710 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.765 -4.843 -3.082 1.00 0.00 H new ATOM 533 N ILE A 55 -0.832 -1.469 0.508 1.00 0.00 N ATOM 534 CA ILE A 55 -0.836 -0.178 1.216 1.00 0.00 C ATOM 535 C ILE A 55 -0.094 -0.395 2.541 1.00 0.00 C ATOM 536 O ILE A 55 -0.598 -0.959 3.508 1.00 0.00 O ATOM 537 CB ILE A 55 -2.249 0.429 1.292 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.195 1.813 1.943 1.00 0.00 C ATOM 539 CG2 ILE A 55 -3.262 -0.480 1.986 1.00 0.00 C ATOM 540 CD1 ILE A 55 -3.496 2.624 1.890 1.00 0.00 C ATOM 0 H ILE A 55 -1.382 -2.193 0.971 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.298 0.601 0.676 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.607 0.534 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.906 1.692 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.408 2.391 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.236 0.009 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.339 -1.421 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.935 -0.677 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.345 3.586 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.781 2.786 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.287 2.076 2.402 1.00 0.00 H new ATOM 542 N SER A 56 1.181 -0.018 2.478 1.00 0.00 N ATOM 543 CA SER A 56 2.125 -0.228 3.593 1.00 0.00 C ATOM 544 C SER A 56 2.783 1.004 4.223 1.00 0.00 C ATOM 545 O SER A 56 3.397 1.835 3.560 1.00 0.00 O ATOM 546 CB SER A 56 3.234 -1.201 3.177 1.00 0.00 C ATOM 547 OG SER A 56 3.845 -1.762 4.342 1.00 0.00 O ATOM 0 H SER A 56 1.594 0.438 1.665 1.00 0.00 H new ATOM 0 HA SER A 56 1.474 -0.623 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.820 -1.994 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.981 -0.681 2.577 1.00 0.00 H new ATOM 0 HG SER A 56 3.337 -1.497 5.137 1.00 0.00 H new ATOM 550 N ASP A 57 2.795 0.949 5.547 1.00 0.00 N ATOM 551 CA ASP A 57 3.388 2.005 6.400 1.00 0.00 C ATOM 552 C ASP A 57 4.920 1.982 6.316 1.00 0.00 C ATOM 553 O ASP A 57 5.542 0.923 6.409 1.00 0.00 O ATOM 554 CB ASP A 57 2.927 1.802 7.855 1.00 0.00 C ATOM 555 CG ASP A 57 3.096 3.056 8.714 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.236 3.574 8.781 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.057 3.500 9.249 1.00 0.00 O ATOM 0 H ASP A 57 2.396 0.173 6.076 1.00 0.00 H new ATOM 0 HA ASP A 57 3.050 2.978 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.879 1.503 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.494 0.984 8.300 1.00 0.00 H new ATOM 559 N TRP A 58 5.496 3.161 6.130 1.00 0.00 N ATOM 560 CA TRP A 58 6.957 3.372 6.036 1.00 0.00 C ATOM 561 C TRP A 58 7.690 2.836 7.276 1.00 0.00 C ATOM 562 O TRP A 58 8.662 2.096 7.154 1.00 0.00 O ATOM 563 CB TRP A 58 7.245 4.866 5.890 1.00 0.00 C ATOM 564 CG TRP A 58 8.620 5.141 5.284 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.754 5.388 5.944 1.00 0.00 C ATOM 566 CD2 TRP A 58 8.897 5.309 3.935 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.711 5.748 5.092 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.239 5.712 3.845 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.123 5.111 2.765 1.00 0.00 C ATOM 570 CZ2 TRP A 58 10.840 5.912 2.581 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.731 5.304 1.515 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.084 5.694 1.419 1.00 0.00 C ATOM 0 H TRP A 58 4.960 4.024 6.037 1.00 0.00 H new ATOM 0 HA TRP A 58 7.319 2.826 5.165 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.478 5.321 5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.181 5.342 6.868 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.877 5.307 7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.661 6.011 5.353 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.086 4.817 2.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.870 6.229 2.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.155 5.152 0.614 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.539 5.825 0.448 1.00 0.00 H new ATOM 575 N ASN A 59 7.091 3.079 8.445 1.00 0.00 N ATOM 576 CA ASN A 59 7.629 2.640 9.733 1.00 0.00 C ATOM 577 C ASN A 59 6.889 1.353 10.161 1.00 0.00 C ATOM 578 O ASN A 59 5.685 1.373 10.403 1.00 0.00 O ATOM 579 CB ASN A 59 7.439 3.753 10.771 1.00 0.00 C ATOM 580 CG ASN A 59 8.042 3.397 12.132 1.00 0.00 C ATOM 581 OD1 ASN A 59 7.835 2.337 12.700 1.00 0.00 O ATOM 582 ND2 ASN A 59 8.807 4.311 12.705 1.00 0.00 N ATOM 0 H ASN A 59 6.212 3.590 8.523 1.00 0.00 H new ATOM 0 HA ASN A 59 8.695 2.428 9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.898 4.670 10.403 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.375 3.955 10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.222 4.129 13.619 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.982 5.198 12.233 1.00 0.00 H new ATOM 586 N MET A 60 7.591 0.235 10.011 1.00 0.00 N ATOM 587 CA MET A 60 7.072 -1.093 10.380 1.00 0.00 C ATOM 588 C MET A 60 8.143 -1.950 11.068 1.00 0.00 C ATOM 589 O MET A 60 9.269 -2.027 10.556 1.00 0.00 O ATOM 590 CB MET A 60 6.530 -1.842 9.151 1.00 0.00 C ATOM 591 CG MET A 60 5.213 -1.268 8.624 1.00 0.00 C ATOM 592 SD MET A 60 4.417 -2.322 7.371 1.00 0.00 S ATOM 593 CE MET A 60 5.777 -2.813 6.336 1.00 0.00 C ATOM 0 H MET A 60 8.537 0.215 9.631 1.00 0.00 H new ATOM 0 HA MET A 60 6.256 -0.925 11.083 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.276 -1.810 8.357 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.384 -2.891 9.409 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.527 -1.127 9.459 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.400 -0.284 8.195 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.399 -3.369 5.478 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.308 -1.927 5.989 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.459 -3.444 6.906 1.00 0.00 H new ATOM 595 N PRO A 61 7.826 -2.555 12.221 1.00 0.00 N ATOM 596 CA PRO A 61 8.763 -3.421 12.973 1.00 0.00 C ATOM 597 C PRO A 61 9.255 -4.584 12.101 1.00 0.00 C ATOM 598 O PRO A 61 8.590 -4.981 11.147 1.00 0.00 O ATOM 599 CB PRO A 61 7.948 -3.947 14.152 1.00 0.00 C ATOM 600 CG PRO A 61 6.960 -2.817 14.421 1.00 0.00 C ATOM 601 CD PRO A 61 6.600 -2.336 13.014 1.00 0.00 C ATOM 0 HA PRO A 61 9.652 -2.877 13.292 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.438 -4.878 13.906 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.577 -4.148 15.019 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.083 -3.168 14.965 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.408 -2.022 15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.759 -2.897 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.312 -1.285 13.016 1.00 0.00 H new ATOM 602 N ASN A 62 10.483 -5.006 12.396 1.00 0.00 N ATOM 603 CA ASN A 62 11.222 -6.102 11.712 1.00 0.00 C ATOM 604 C ASN A 62 11.672 -5.713 10.292 1.00 0.00 C ATOM 605 O ASN A 62 12.870 -5.604 10.025 1.00 0.00 O ATOM 606 CB ASN A 62 10.438 -7.431 11.684 1.00 0.00 C ATOM 607 CG ASN A 62 9.847 -7.806 13.048 1.00 0.00 C ATOM 608 OD1 ASN A 62 8.733 -7.428 13.399 1.00 0.00 O ATOM 609 ND2 ASN A 62 10.583 -8.545 13.839 1.00 0.00 N ATOM 0 H ASN A 62 11.027 -4.585 13.149 1.00 0.00 H new ATOM 0 HA ASN A 62 12.116 -6.262 12.315 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.633 -7.356 10.953 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.099 -8.230 11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.233 -8.813 14.759 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.507 -8.853 13.536 1.00 0.00 H new ATOM 613 N MET A 63 10.697 -5.415 9.441 1.00 0.00 N ATOM 614 CA MET A 63 10.890 -5.012 8.038 1.00 0.00 C ATOM 615 C MET A 63 9.968 -3.806 7.754 1.00 0.00 C ATOM 616 O MET A 63 8.750 -3.912 7.849 1.00 0.00 O ATOM 617 CB MET A 63 10.550 -6.203 7.135 1.00 0.00 C ATOM 618 CG MET A 63 10.857 -5.945 5.663 1.00 0.00 C ATOM 619 SD MET A 63 10.269 -7.271 4.546 1.00 0.00 S ATOM 620 CE MET A 63 11.367 -8.606 4.986 1.00 0.00 C ATOM 0 H MET A 63 9.714 -5.446 9.710 1.00 0.00 H new ATOM 0 HA MET A 63 11.922 -4.719 7.843 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.110 -7.076 7.469 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.492 -6.443 7.243 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.399 -5.002 5.365 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.934 -5.829 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.189 -9.456 4.327 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.401 -8.276 4.882 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.183 -8.903 6.018 1.00 0.00 H new ATOM 622 N ASP A 64 10.606 -2.644 7.615 1.00 0.00 N ATOM 623 CA ASP A 64 9.903 -1.373 7.327 1.00 0.00 C ATOM 624 C ASP A 64 9.294 -1.317 5.919 1.00 0.00 C ATOM 625 O ASP A 64 9.743 -2.043 5.030 1.00 0.00 O ATOM 626 CB ASP A 64 10.827 -0.180 7.591 1.00 0.00 C ATOM 627 CG ASP A 64 11.221 -0.078 9.071 1.00 0.00 C ATOM 628 OD1 ASP A 64 10.461 0.596 9.798 1.00 0.00 O ATOM 629 OD2 ASP A 64 12.251 -0.691 9.416 1.00 0.00 O ATOM 0 H ASP A 64 11.618 -2.547 7.696 1.00 0.00 H new ATOM 0 HA ASP A 64 9.056 -1.319 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.726 -0.275 6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.329 0.740 7.284 1.00 0.00 H new ATOM 631 N GLY A 65 8.436 -0.324 5.690 1.00 0.00 N ATOM 632 CA GLY A 65 7.693 -0.102 4.426 1.00 0.00 C ATOM 633 C GLY A 65 8.560 -0.142 3.163 1.00 0.00 C ATOM 634 O GLY A 65 8.370 -0.998 2.310 1.00 0.00 O ATOM 0 H GLY A 65 8.223 0.379 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.913 -0.859 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.194 0.866 4.478 1.00 0.00 H new ATOM 636 N LEU A 66 9.583 0.717 3.122 1.00 0.00 N ATOM 637 CA LEU A 66 10.518 0.793 1.985 1.00 0.00 C ATOM 638 C LEU A 66 11.218 -0.545 1.694 1.00 0.00 C ATOM 639 O LEU A 66 11.265 -0.993 0.553 1.00 0.00 O ATOM 640 CB LEU A 66 11.465 1.960 2.281 1.00 0.00 C ATOM 641 CG LEU A 66 12.479 2.210 1.174 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.844 2.562 -0.180 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.418 3.348 1.560 1.00 0.00 C ATOM 0 H LEU A 66 9.790 1.378 3.870 1.00 0.00 H new ATOM 0 HA LEU A 66 9.989 0.985 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.877 2.865 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.996 1.761 3.212 1.00 0.00 H new ATOM 0 HG LEU A 66 13.017 1.269 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.629 2.726 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.205 1.742 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.247 3.468 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.137 3.514 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.840 4.257 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.949 3.087 2.475 1.00 0.00 H new ATOM 645 N GLU A 67 11.560 -1.274 2.754 1.00 0.00 N ATOM 646 CA GLU A 67 12.204 -2.609 2.662 1.00 0.00 C ATOM 647 C GLU A 67 11.209 -3.673 2.165 1.00 0.00 C ATOM 648 O GLU A 67 11.533 -4.448 1.269 1.00 0.00 O ATOM 649 CB GLU A 67 12.847 -3.005 4.008 1.00 0.00 C ATOM 650 CG GLU A 67 14.161 -2.261 4.284 1.00 0.00 C ATOM 651 CD GLU A 67 14.036 -0.734 4.409 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.107 -0.290 5.128 1.00 0.00 O ATOM 653 OE2 GLU A 67 14.849 -0.035 3.770 1.00 0.00 O ATOM 0 H GLU A 67 11.403 -0.965 3.713 1.00 0.00 H new ATOM 0 HA GLU A 67 13.005 -2.550 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.143 -2.801 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.035 -4.079 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.594 -2.651 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.863 -2.487 3.482 1.00 0.00 H new ATOM 655 N LEU A 68 9.986 -3.621 2.699 1.00 0.00 N ATOM 656 CA LEU A 68 8.867 -4.492 2.299 1.00 0.00 C ATOM 657 C LEU A 68 8.579 -4.332 0.800 1.00 0.00 C ATOM 658 O LEU A 68 8.409 -5.307 0.065 1.00 0.00 O ATOM 659 CB LEU A 68 7.665 -4.193 3.222 1.00 0.00 C ATOM 660 CG LEU A 68 6.286 -4.783 2.864 1.00 0.00 C ATOM 661 CD1 LEU A 68 5.529 -3.823 1.948 1.00 0.00 C ATOM 662 CD2 LEU A 68 6.331 -6.244 2.416 1.00 0.00 C ATOM 0 H LEU A 68 9.736 -2.961 3.436 1.00 0.00 H new ATOM 0 HA LEU A 68 9.112 -5.546 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.923 -4.541 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.555 -3.110 3.280 1.00 0.00 H new ATOM 0 HG LEU A 68 5.695 -4.859 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.556 -4.248 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.390 -2.869 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.100 -3.667 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.322 -6.584 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.958 -6.333 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.745 -6.857 3.216 1.00 0.00 H new ATOM 664 N LEU A 69 8.627 -3.078 0.354 1.00 0.00 N ATOM 665 CA LEU A 69 8.453 -2.703 -1.058 1.00 0.00 C ATOM 666 C LEU A 69 9.484 -3.420 -1.951 1.00 0.00 C ATOM 667 O LEU A 69 9.101 -4.153 -2.866 1.00 0.00 O ATOM 668 CB LEU A 69 8.526 -1.172 -1.070 1.00 0.00 C ATOM 669 CG LEU A 69 8.880 -0.523 -2.407 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.910 -0.903 -3.529 1.00 0.00 C ATOM 671 CD2 LEU A 69 8.934 0.990 -2.209 1.00 0.00 C ATOM 0 H LEU A 69 8.790 -2.279 0.967 1.00 0.00 H new ATOM 0 HA LEU A 69 7.501 -3.021 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.562 -0.781 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.264 -0.859 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 69 9.853 -0.896 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.213 -0.412 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.923 -1.984 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.902 -0.584 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.186 1.472 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.963 1.347 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.692 1.233 -1.465 1.00 0.00 H new ATOM 673 N LYS A 70 10.741 -3.395 -1.507 1.00 0.00 N ATOM 674 CA LYS A 70 11.864 -4.066 -2.209 1.00 0.00 C ATOM 675 C LYS A 70 11.630 -5.587 -2.319 1.00 0.00 C ATOM 676 O LYS A 70 11.732 -6.134 -3.414 1.00 0.00 O ATOM 677 CB LYS A 70 13.184 -3.775 -1.489 1.00 0.00 C ATOM 678 CG LYS A 70 13.556 -2.288 -1.536 1.00 0.00 C ATOM 679 CD LYS A 70 14.813 -2.025 -0.704 1.00 0.00 C ATOM 680 CE LYS A 70 15.274 -0.557 -0.742 1.00 0.00 C ATOM 681 NZ LYS A 70 15.681 -0.168 -2.097 1.00 0.00 N ATOM 0 H LYS A 70 11.021 -2.913 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 70 11.918 -3.666 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.107 -4.096 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.981 -4.362 -1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.725 -1.982 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.729 -1.688 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.622 -2.312 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.620 -2.661 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.466 0.090 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.107 -0.416 -0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.662 0.178 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.615 -0.991 -2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.055 0.586 -2.445 1.00 0.00 H new ATOM 686 N THR A 71 11.181 -6.202 -1.236 1.00 0.00 N ATOM 687 CA THR A 71 10.869 -7.659 -1.166 1.00 0.00 C ATOM 688 C THR A 71 9.739 -8.056 -2.141 1.00 0.00 C ATOM 689 O THR A 71 9.858 -9.082 -2.806 1.00 0.00 O ATOM 690 CB THR A 71 10.714 -8.154 0.267 1.00 0.00 C ATOM 691 OG1 THR A 71 9.823 -7.348 1.044 1.00 0.00 O ATOM 692 CG2 THR A 71 12.084 -8.232 0.945 1.00 0.00 C ATOM 0 H THR A 71 11.014 -5.713 -0.356 1.00 0.00 H new ATOM 0 HA THR A 71 11.737 -8.208 -1.530 1.00 0.00 H new ATOM 0 HB THR A 71 10.270 -9.148 0.213 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.313 -6.759 0.450 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.964 -8.587 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.724 -8.922 0.395 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.542 -7.243 0.955 1.00 0.00 H new ATOM 695 N ILE A 72 8.763 -7.173 -2.329 1.00 0.00 N ATOM 696 CA ILE A 72 7.633 -7.388 -3.279 1.00 0.00 C ATOM 697 C ILE A 72 8.183 -7.328 -4.724 1.00 0.00 C ATOM 698 O ILE A 72 8.168 -8.335 -5.425 1.00 0.00 O ATOM 699 CB ILE A 72 6.512 -6.334 -3.095 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.966 -6.355 -1.660 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.359 -6.547 -4.091 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.218 -5.065 -1.290 1.00 0.00 C ATOM 0 H ILE A 72 8.717 -6.282 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 72 7.192 -8.364 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 72 6.959 -5.360 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.294 -7.205 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.792 -6.504 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.594 -5.788 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.739 -6.468 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.926 -7.536 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.854 -5.136 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.894 -4.215 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.374 -4.927 -1.966 1.00 0.00 H new ATOM 704 N ARG A 73 8.818 -6.197 -5.033 1.00 0.00 N ATOM 705 CA ARG A 73 9.435 -5.907 -6.349 1.00 0.00 C ATOM 706 C ARG A 73 10.419 -6.999 -6.807 1.00 0.00 C ATOM 707 O ARG A 73 10.263 -7.562 -7.887 1.00 0.00 O ATOM 708 CB ARG A 73 10.037 -4.500 -6.350 1.00 0.00 C ATOM 709 CG ARG A 73 8.923 -3.450 -6.435 1.00 0.00 C ATOM 710 CD ARG A 73 8.313 -3.414 -7.839 1.00 0.00 C ATOM 711 NE ARG A 73 7.081 -2.587 -7.875 1.00 0.00 N ATOM 712 CZ ARG A 73 6.336 -2.352 -8.954 1.00 0.00 C ATOM 713 NH1 ARG A 73 6.813 -2.482 -10.193 1.00 0.00 N ATOM 714 NH2 ARG A 73 5.193 -1.693 -8.827 1.00 0.00 N ATOM 0 H ARG A 73 8.926 -5.432 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 73 8.648 -5.925 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.624 -4.346 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.718 -4.388 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.148 -3.676 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.323 -2.468 -6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.042 -3.014 -8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.081 -4.429 -8.162 1.00 0.00 H new ATOM 0 HE ARG A 73 6.779 -2.162 -6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.780 -2.771 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.210 -2.293 -10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.890 -1.370 -7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.617 -1.509 -9.648 1.00 0.00 H new ATOM 721 N ALA A 74 11.315 -7.398 -5.901 1.00 0.00 N ATOM 722 CA ALA A 74 12.334 -8.453 -6.143 1.00 0.00 C ATOM 723 C ALA A 74 11.718 -9.828 -6.446 1.00 0.00 C ATOM 724 O ALA A 74 12.232 -10.597 -7.261 1.00 0.00 O ATOM 725 CB ALA A 74 13.269 -8.555 -4.931 1.00 0.00 C ATOM 0 H ALA A 74 11.364 -7.000 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 74 12.894 -8.158 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.015 -9.329 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.769 -7.599 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.689 -8.810 -4.044 1.00 0.00 H new ATOM 727 N ASP A 75 10.573 -10.104 -5.813 1.00 0.00 N ATOM 728 CA ASP A 75 9.830 -11.358 -5.980 1.00 0.00 C ATOM 729 C ASP A 75 8.922 -11.236 -7.223 1.00 0.00 C ATOM 730 O ASP A 75 7.731 -10.980 -7.114 1.00 0.00 O ATOM 731 CB ASP A 75 9.036 -11.622 -4.689 1.00 0.00 C ATOM 732 CG ASP A 75 8.347 -12.996 -4.638 1.00 0.00 C ATOM 733 OD1 ASP A 75 8.017 -13.545 -5.708 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.125 -13.471 -3.503 1.00 0.00 O ATOM 0 H ASP A 75 10.131 -9.455 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 75 10.495 -12.206 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.711 -11.535 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.280 -10.845 -4.577 1.00 0.00 H new ATOM 736 N GLY A 76 9.557 -11.499 -8.371 1.00 0.00 N ATOM 737 CA GLY A 76 8.990 -11.481 -9.742 1.00 0.00 C ATOM 738 C GLY A 76 7.479 -11.229 -9.902 1.00 0.00 C ATOM 739 O GLY A 76 7.046 -10.097 -10.110 1.00 0.00 O ATOM 0 H GLY A 76 10.546 -11.747 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.517 -10.715 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.219 -12.439 -10.210 1.00 0.00 H new ATOM 741 N ALA A 77 6.696 -12.285 -9.699 1.00 0.00 N ATOM 742 CA ALA A 77 5.221 -12.256 -9.816 1.00 0.00 C ATOM 743 C ALA A 77 4.508 -11.160 -8.992 1.00 0.00 C ATOM 744 O ALA A 77 3.611 -10.486 -9.489 1.00 0.00 O ATOM 745 CB ALA A 77 4.643 -13.626 -9.476 1.00 0.00 C ATOM 0 H ALA A 77 7.062 -13.202 -9.445 1.00 0.00 H new ATOM 0 HA ALA A 77 5.026 -11.996 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.557 -13.595 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.042 -14.370 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.916 -13.893 -8.455 1.00 0.00 H new ATOM 747 N MET A 78 5.062 -10.882 -7.816 1.00 0.00 N ATOM 748 CA MET A 78 4.534 -9.873 -6.867 1.00 0.00 C ATOM 749 C MET A 78 4.782 -8.427 -7.320 1.00 0.00 C ATOM 750 O MET A 78 3.980 -7.549 -7.008 1.00 0.00 O ATOM 751 CB MET A 78 5.120 -10.116 -5.476 1.00 0.00 C ATOM 752 CG MET A 78 4.570 -11.414 -4.868 1.00 0.00 C ATOM 753 SD MET A 78 5.390 -11.950 -3.322 1.00 0.00 S ATOM 754 CE MET A 78 4.958 -10.642 -2.206 1.00 0.00 C ATOM 0 H MET A 78 5.903 -11.351 -7.479 1.00 0.00 H new ATOM 0 HA MET A 78 3.451 -9.996 -6.837 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.207 -10.172 -5.540 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.881 -9.275 -4.825 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.506 -11.283 -4.671 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.662 -12.211 -5.606 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.285 -10.900 -1.199 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.445 -9.719 -2.521 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.877 -10.501 -2.211 1.00 0.00 H new ATOM 756 N SER A 79 5.839 -8.200 -8.111 1.00 0.00 N ATOM 757 CA SER A 79 6.186 -6.872 -8.654 1.00 0.00 C ATOM 758 C SER A 79 5.032 -6.188 -9.414 1.00 0.00 C ATOM 759 O SER A 79 5.029 -4.963 -9.536 1.00 0.00 O ATOM 760 CB SER A 79 7.406 -6.967 -9.585 1.00 0.00 C ATOM 761 OG SER A 79 7.728 -5.688 -10.130 1.00 0.00 O ATOM 0 H SER A 79 6.485 -8.936 -8.397 1.00 0.00 H new ATOM 0 HA SER A 79 6.412 -6.255 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.261 -7.358 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.199 -7.670 -10.392 1.00 0.00 H new ATOM 0 HG SER A 79 8.508 -5.770 -10.718 1.00 0.00 H new ATOM 764 N ALA A 80 4.111 -6.976 -9.971 1.00 0.00 N ATOM 765 CA ALA A 80 2.951 -6.464 -10.719 1.00 0.00 C ATOM 766 C ALA A 80 1.857 -5.806 -9.841 1.00 0.00 C ATOM 767 O ALA A 80 1.007 -5.077 -10.345 1.00 0.00 O ATOM 768 CB ALA A 80 2.350 -7.619 -11.516 1.00 0.00 C ATOM 0 H ALA A 80 4.145 -7.994 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 80 3.316 -5.667 -11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.487 -7.263 -12.079 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.097 -8.012 -12.206 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.036 -8.408 -10.833 1.00 0.00 H new ATOM 770 N LEU A 81 1.930 -6.038 -8.535 1.00 0.00 N ATOM 771 CA LEU A 81 0.958 -5.514 -7.551 1.00 0.00 C ATOM 772 C LEU A 81 1.378 -4.100 -7.101 1.00 0.00 C ATOM 773 O LEU A 81 2.444 -3.941 -6.502 1.00 0.00 O ATOM 774 CB LEU A 81 0.828 -6.459 -6.341 1.00 0.00 C ATOM 775 CG LEU A 81 0.756 -7.950 -6.716 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.735 -8.802 -5.451 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.420 -8.298 -7.639 1.00 0.00 C ATOM 0 H LEU A 81 2.670 -6.600 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.020 -5.455 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.679 -6.302 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.067 -6.192 -5.779 1.00 0.00 H new ATOM 0 HG LEU A 81 1.653 -8.174 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.684 -9.856 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.642 -8.620 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.136 -8.540 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.406 -9.365 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.358 -8.042 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.333 -7.734 -8.568 1.00 0.00 H new ATOM 779 N PRO A 82 0.555 -3.075 -7.395 1.00 0.00 N ATOM 780 CA PRO A 82 0.835 -1.673 -7.027 1.00 0.00 C ATOM 781 C PRO A 82 1.153 -1.478 -5.542 1.00 0.00 C ATOM 782 O PRO A 82 0.474 -2.010 -4.664 1.00 0.00 O ATOM 783 CB PRO A 82 -0.409 -0.877 -7.412 1.00 0.00 C ATOM 784 CG PRO A 82 -1.479 -1.925 -7.706 1.00 0.00 C ATOM 785 CD PRO A 82 -0.701 -3.156 -8.160 1.00 0.00 C ATOM 0 HA PRO A 82 1.729 -1.336 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.718 -0.214 -6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.221 -0.250 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.077 -2.139 -6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.166 -1.583 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.244 -4.076 -7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.518 -3.140 -9.234 1.00 0.00 H new ATOM 786 N VAL A 83 2.081 -0.550 -5.302 1.00 0.00 N ATOM 787 CA VAL A 83 2.574 -0.251 -3.943 1.00 0.00 C ATOM 788 C VAL A 83 2.353 1.222 -3.537 1.00 0.00 C ATOM 789 O VAL A 83 2.961 2.148 -4.069 1.00 0.00 O ATOM 790 CB VAL A 83 4.054 -0.646 -3.792 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.476 -0.590 -2.317 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.365 -2.066 -4.281 1.00 0.00 C ATOM 0 H VAL A 83 2.513 0.015 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 83 1.981 -0.857 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 83 4.601 0.069 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.525 -0.872 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.339 0.423 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.864 -1.281 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.426 -2.274 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.777 -2.784 -3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.113 -2.150 -5.338 1.00 0.00 H new ATOM 794 N LEU A 84 1.553 1.357 -2.486 1.00 0.00 N ATOM 795 CA LEU A 84 1.197 2.639 -1.864 1.00 0.00 C ATOM 796 C LEU A 84 1.852 2.738 -0.478 1.00 0.00 C ATOM 797 O LEU A 84 1.576 1.955 0.425 1.00 0.00 O ATOM 798 CB LEU A 84 -0.337 2.723 -1.743 1.00 0.00 C ATOM 799 CG LEU A 84 -0.854 4.102 -1.318 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.587 5.170 -2.381 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.370 4.021 -1.141 1.00 0.00 C ATOM 0 H LEU A 84 1.118 0.558 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 84 1.556 3.467 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.782 2.459 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.675 1.981 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.338 4.376 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.970 6.130 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.486 5.249 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.086 4.892 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.754 4.995 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.831 3.726 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.608 3.283 -0.375 1.00 0.00 H new ATOM 803 N MET A 85 2.868 3.590 -0.424 1.00 0.00 N ATOM 804 CA MET A 85 3.657 3.851 0.805 1.00 0.00 C ATOM 805 C MET A 85 2.989 4.853 1.733 1.00 0.00 C ATOM 806 O MET A 85 2.727 5.999 1.371 1.00 0.00 O ATOM 807 CB MET A 85 5.058 4.310 0.416 1.00 0.00 C ATOM 808 CG MET A 85 5.960 3.151 -0.016 1.00 0.00 C ATOM 809 SD MET A 85 6.514 2.090 1.364 1.00 0.00 S ATOM 810 CE MET A 85 5.682 0.569 0.950 1.00 0.00 C ATOM 0 H MET A 85 3.181 4.131 -1.230 1.00 0.00 H new ATOM 0 HA MET A 85 3.719 2.919 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.987 5.032 -0.397 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.515 4.825 1.261 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.425 2.538 -0.741 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.835 3.555 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.038 -0.229 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.607 0.694 1.084 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.891 0.311 -0.088 1.00 0.00 H new ATOM 812 N VAL A 86 2.684 4.405 2.942 1.00 0.00 N ATOM 813 CA VAL A 86 2.073 5.285 3.953 1.00 0.00 C ATOM 814 C VAL A 86 3.241 5.828 4.781 1.00 0.00 C ATOM 815 O VAL A 86 3.712 5.226 5.746 1.00 0.00 O ATOM 816 CB VAL A 86 0.995 4.650 4.847 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.120 5.781 5.395 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.069 3.666 4.120 1.00 0.00 C ATOM 0 H VAL A 86 2.844 3.447 3.254 1.00 0.00 H new ATOM 0 HA VAL A 86 1.509 6.062 3.437 1.00 0.00 H new ATOM 0 HB VAL A 86 1.519 4.086 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.657 5.363 6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.736 6.469 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.342 6.317 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.661 3.265 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.451 4.184 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.660 2.849 3.705 1.00 0.00 H new ATOM 820 N THR A 87 3.635 7.016 4.366 1.00 0.00 N ATOM 821 CA THR A 87 4.805 7.731 4.920 1.00 0.00 C ATOM 822 C THR A 87 4.497 8.905 5.850 1.00 0.00 C ATOM 823 O THR A 87 3.542 9.661 5.657 1.00 0.00 O ATOM 824 CB THR A 87 5.826 8.096 3.826 1.00 0.00 C ATOM 825 OG1 THR A 87 6.810 9.016 4.317 1.00 0.00 O ATOM 826 CG2 THR A 87 5.204 8.559 2.508 1.00 0.00 C ATOM 0 H THR A 87 3.157 7.531 3.627 1.00 0.00 H new ATOM 0 HA THR A 87 5.266 7.002 5.587 1.00 0.00 H new ATOM 0 HB THR A 87 6.331 7.163 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.720 9.872 3.848 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.995 8.795 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.576 7.765 2.103 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.597 9.447 2.684 1.00 0.00 H new ATOM 829 N ALA A 88 5.288 8.961 6.913 1.00 0.00 N ATOM 830 CA ALA A 88 5.237 10.015 7.947 1.00 0.00 C ATOM 831 C ALA A 88 5.657 11.401 7.421 1.00 0.00 C ATOM 832 O ALA A 88 5.332 12.418 8.034 1.00 0.00 O ATOM 833 CB ALA A 88 6.146 9.594 9.112 1.00 0.00 C ATOM 0 H ALA A 88 6.007 8.260 7.095 1.00 0.00 H new ATOM 0 HA ALA A 88 4.202 10.116 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.122 10.360 9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.794 8.649 9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.168 9.474 8.751 1.00 0.00 H new ATOM 835 N GLU A 89 6.416 11.415 6.325 1.00 0.00 N ATOM 836 CA GLU A 89 6.912 12.667 5.711 1.00 0.00 C ATOM 837 C GLU A 89 6.923 12.645 4.171 1.00 0.00 C ATOM 838 O GLU A 89 7.315 11.667 3.537 1.00 0.00 O ATOM 839 CB GLU A 89 8.339 12.968 6.184 1.00 0.00 C ATOM 840 CG GLU A 89 8.416 13.472 7.622 1.00 0.00 C ATOM 841 CD GLU A 89 9.875 13.583 8.056 1.00 0.00 C ATOM 842 OE1 GLU A 89 10.467 14.659 7.795 1.00 0.00 O ATOM 843 OE2 GLU A 89 10.399 12.559 8.543 1.00 0.00 O ATOM 0 H GLU A 89 6.708 10.570 5.834 1.00 0.00 H new ATOM 0 HA GLU A 89 6.212 13.438 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.941 12.064 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.782 13.713 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.929 14.444 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.881 12.791 8.284 1.00 0.00 H new ATOM 845 N ALA A 90 6.446 13.754 3.627 1.00 0.00 N ATOM 846 CA ALA A 90 6.432 13.994 2.171 1.00 0.00 C ATOM 847 C ALA A 90 7.642 14.859 1.782 1.00 0.00 C ATOM 848 O ALA A 90 7.538 15.997 1.332 1.00 0.00 O ATOM 849 CB ALA A 90 5.101 14.661 1.764 1.00 0.00 C ATOM 0 H ALA A 90 6.055 14.521 4.174 1.00 0.00 H new ATOM 0 HA ALA A 90 6.507 13.047 1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.096 14.836 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.270 14.007 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.996 15.612 2.287 1.00 0.00 H new ATOM 851 N LYS A 91 8.819 14.308 2.072 1.00 0.00 N ATOM 852 CA LYS A 91 10.099 14.980 1.776 1.00 0.00 C ATOM 853 C LYS A 91 10.847 14.207 0.675 1.00 0.00 C ATOM 854 O LYS A 91 10.724 12.988 0.587 1.00 0.00 O ATOM 855 CB LYS A 91 10.957 15.168 3.034 1.00 0.00 C ATOM 856 CG LYS A 91 11.388 13.889 3.751 1.00 0.00 C ATOM 857 CD LYS A 91 12.338 14.216 4.904 1.00 0.00 C ATOM 858 CE LYS A 91 12.729 12.957 5.683 1.00 0.00 C ATOM 859 NZ LYS A 91 13.618 13.324 6.795 1.00 0.00 N ATOM 0 H LYS A 91 8.921 13.394 2.514 1.00 0.00 H new ATOM 0 HA LYS A 91 9.885 15.984 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.852 15.725 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.401 15.786 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.511 13.365 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.879 13.218 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.235 14.696 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.863 14.929 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.837 12.461 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.229 12.248 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.883 12.469 7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.475 13.779 6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.126 13.985 7.430 1.00 0.00 H new ATOM 864 N LYS A 92 11.602 14.954 -0.133 1.00 0.00 N ATOM 865 CA LYS A 92 12.393 14.409 -1.255 1.00 0.00 C ATOM 866 C LYS A 92 13.056 13.037 -1.021 1.00 0.00 C ATOM 867 O LYS A 92 12.773 12.122 -1.778 1.00 0.00 O ATOM 868 CB LYS A 92 13.375 15.442 -1.839 1.00 0.00 C ATOM 869 CG LYS A 92 14.490 15.923 -0.909 1.00 0.00 C ATOM 870 CD LYS A 92 15.448 16.815 -1.701 1.00 0.00 C ATOM 871 CE LYS A 92 16.691 17.207 -0.905 1.00 0.00 C ATOM 872 NZ LYS A 92 17.582 17.973 -1.779 1.00 0.00 N ATOM 0 H LYS A 92 11.687 15.965 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 92 11.637 14.196 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.834 15.011 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.803 16.311 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.068 16.476 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.027 15.071 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.753 16.295 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.922 17.718 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.411 17.801 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.199 16.317 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.435 18.248 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.854 17.389 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.091 18.827 -2.113 1.00 0.00 H new ATOM 877 N GLU A 93 13.679 12.869 0.147 1.00 0.00 N ATOM 878 CA GLU A 93 14.338 11.603 0.562 1.00 0.00 C ATOM 879 C GLU A 93 13.373 10.413 0.416 1.00 0.00 C ATOM 880 O GLU A 93 13.538 9.587 -0.471 1.00 0.00 O ATOM 881 CB GLU A 93 14.858 11.783 1.999 1.00 0.00 C ATOM 882 CG GLU A 93 15.672 10.619 2.569 1.00 0.00 C ATOM 883 CD GLU A 93 14.806 9.484 3.136 1.00 0.00 C ATOM 884 OE1 GLU A 93 14.392 9.610 4.302 1.00 0.00 O ATOM 885 OE2 GLU A 93 14.588 8.501 2.386 1.00 0.00 O ATOM 0 H GLU A 93 13.748 13.608 0.847 1.00 0.00 H new ATOM 0 HA GLU A 93 15.185 11.377 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.474 12.681 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.004 11.958 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.315 10.218 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.326 10.995 3.356 1.00 0.00 H new ATOM 887 N ASN A 94 12.258 10.489 1.150 1.00 0.00 N ATOM 888 CA ASN A 94 11.186 9.474 1.161 1.00 0.00 C ATOM 889 C ASN A 94 10.563 9.256 -0.231 1.00 0.00 C ATOM 890 O ASN A 94 10.552 8.133 -0.723 1.00 0.00 O ATOM 891 CB ASN A 94 10.063 9.859 2.136 1.00 0.00 C ATOM 892 CG ASN A 94 10.556 9.970 3.577 1.00 0.00 C ATOM 893 OD1 ASN A 94 11.541 10.618 3.888 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.814 9.406 4.505 1.00 0.00 N ATOM 0 H ASN A 94 12.066 11.276 1.770 1.00 0.00 H new ATOM 0 HA ASN A 94 11.662 8.548 1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.629 10.811 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.268 9.115 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.062 9.510 5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.991 8.865 4.241 1.00 0.00 H new ATOM 898 N ILE A 95 10.252 10.367 -0.895 1.00 0.00 N ATOM 899 CA ILE A 95 9.638 10.367 -2.237 1.00 0.00 C ATOM 900 C ILE A 95 10.504 9.599 -3.258 1.00 0.00 C ATOM 901 O ILE A 95 10.085 8.564 -3.765 1.00 0.00 O ATOM 902 CB ILE A 95 9.342 11.823 -2.665 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.371 12.493 -1.677 1.00 0.00 C ATOM 904 CG2 ILE A 95 8.792 11.906 -4.102 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.289 14.020 -1.786 1.00 0.00 C ATOM 0 H ILE A 95 10.417 11.302 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 95 8.690 9.831 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 95 10.290 12.361 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.375 12.078 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.671 12.232 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.599 12.948 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.523 11.491 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.864 11.338 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.580 14.400 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.272 14.451 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.956 14.296 -2.787 1.00 0.00 H new ATOM 907 N ILE A 96 11.757 10.043 -3.394 1.00 0.00 N ATOM 908 CA ILE A 96 12.742 9.438 -4.324 1.00 0.00 C ATOM 909 C ILE A 96 12.976 7.953 -3.961 1.00 0.00 C ATOM 910 O ILE A 96 12.700 7.091 -4.794 1.00 0.00 O ATOM 911 CB ILE A 96 14.045 10.267 -4.343 1.00 0.00 C ATOM 912 CG1 ILE A 96 13.747 11.699 -4.828 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.108 9.634 -5.263 1.00 0.00 C ATOM 914 CD1 ILE A 96 14.815 12.725 -4.414 1.00 0.00 C ATOM 0 H ILE A 96 12.127 10.833 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 96 12.346 9.457 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 96 14.438 10.287 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.661 11.695 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.781 12.014 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.010 10.245 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.344 8.631 -4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.722 9.578 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 96 14.538 13.710 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 96 14.885 12.758 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.779 12.435 -4.831 1.00 0.00 H new ATOM 916 N ALA A 97 13.255 7.688 -2.686 1.00 0.00 N ATOM 917 CA ALA A 97 13.502 6.320 -2.174 1.00 0.00 C ATOM 918 C ALA A 97 12.356 5.352 -2.522 1.00 0.00 C ATOM 919 O ALA A 97 12.580 4.343 -3.195 1.00 0.00 O ATOM 920 CB ALA A 97 13.723 6.379 -0.659 1.00 0.00 C ATOM 0 H ALA A 97 13.319 8.410 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 97 14.396 5.931 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.905 5.374 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.584 7.011 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.837 6.794 -0.178 1.00 0.00 H new ATOM 922 N ALA A 98 11.135 5.780 -2.232 1.00 0.00 N ATOM 923 CA ALA A 98 9.897 5.010 -2.489 1.00 0.00 C ATOM 924 C ALA A 98 9.715 4.712 -3.988 1.00 0.00 C ATOM 925 O ALA A 98 9.735 3.544 -4.391 1.00 0.00 O ATOM 926 CB ALA A 98 8.714 5.794 -1.910 1.00 0.00 C ATOM 0 H ALA A 98 10.960 6.688 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 98 9.959 4.038 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.790 5.244 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.856 5.927 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.654 6.770 -2.392 1.00 0.00 H new ATOM 928 N ALA A 99 9.733 5.766 -4.805 1.00 0.00 N ATOM 929 CA ALA A 99 9.582 5.679 -6.270 1.00 0.00 C ATOM 930 C ALA A 99 10.633 4.750 -6.916 1.00 0.00 C ATOM 931 O ALA A 99 10.280 3.730 -7.501 1.00 0.00 O ATOM 932 CB ALA A 99 9.669 7.089 -6.865 1.00 0.00 C ATOM 0 H ALA A 99 9.854 6.721 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 99 8.608 5.241 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.558 7.034 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.874 7.709 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.636 7.528 -6.621 1.00 0.00 H new ATOM 934 N GLN A 100 11.896 4.967 -6.531 1.00 0.00 N ATOM 935 CA GLN A 100 13.054 4.197 -7.024 1.00 0.00 C ATOM 936 C GLN A 100 13.010 2.693 -6.711 1.00 0.00 C ATOM 937 O GLN A 100 13.559 1.885 -7.458 1.00 0.00 O ATOM 938 CB GLN A 100 14.369 4.777 -6.485 1.00 0.00 C ATOM 939 CG GLN A 100 14.733 6.124 -7.114 1.00 0.00 C ATOM 940 CD GLN A 100 14.976 6.030 -8.620 1.00 0.00 C ATOM 941 OE1 GLN A 100 14.181 6.445 -9.451 1.00 0.00 O ATOM 942 NE2 GLN A 100 16.115 5.495 -9.010 1.00 0.00 N ATOM 0 H GLN A 100 12.150 5.691 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 100 13.001 4.293 -8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.291 4.897 -5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.175 4.067 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.930 6.837 -6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 100 15.628 6.515 -6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 100 16.779 5.148 -8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.333 5.427 -10.004 1.00 0.00 H new ATOM 946 N ALA A 101 12.392 2.349 -5.580 1.00 0.00 N ATOM 947 CA ALA A 101 12.259 0.953 -5.121 1.00 0.00 C ATOM 948 C ALA A 101 10.995 0.211 -5.620 1.00 0.00 C ATOM 949 O ALA A 101 10.796 -0.950 -5.254 1.00 0.00 O ATOM 950 CB ALA A 101 12.350 0.937 -3.596 1.00 0.00 C ATOM 0 H ALA A 101 11.966 3.028 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 101 13.079 0.392 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.254 -0.087 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.313 1.342 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.548 1.545 -3.177 1.00 0.00 H new ATOM 952 N GLY A 102 10.175 0.872 -6.435 1.00 0.00 N ATOM 953 CA GLY A 102 8.935 0.277 -7.000 1.00 0.00 C ATOM 954 C GLY A 102 7.601 0.827 -6.478 1.00 0.00 C ATOM 955 O GLY A 102 6.543 0.301 -6.833 1.00 0.00 O ATOM 0 H GLY A 102 10.339 1.834 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.957 0.410 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.957 -0.796 -6.811 1.00 0.00 H new ATOM 957 N ALA A 103 7.634 1.792 -5.554 1.00 0.00 N ATOM 958 CA ALA A 103 6.392 2.386 -5.018 1.00 0.00 C ATOM 959 C ALA A 103 5.681 3.258 -6.059 1.00 0.00 C ATOM 960 O ALA A 103 6.153 4.327 -6.452 1.00 0.00 O ATOM 961 CB ALA A 103 6.615 3.205 -3.743 1.00 0.00 C ATOM 0 H ALA A 103 8.492 2.179 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 103 5.759 1.536 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.664 3.613 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.034 2.564 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.306 4.022 -3.951 1.00 0.00 H new ATOM 963 N SER A 104 4.548 2.729 -6.510 1.00 0.00 N ATOM 964 CA SER A 104 3.690 3.403 -7.502 1.00 0.00 C ATOM 965 C SER A 104 3.087 4.735 -7.016 1.00 0.00 C ATOM 966 O SER A 104 2.710 5.580 -7.830 1.00 0.00 O ATOM 967 CB SER A 104 2.587 2.462 -8.017 1.00 0.00 C ATOM 968 OG SER A 104 1.864 1.882 -6.925 1.00 0.00 O ATOM 0 H SER A 104 4.192 1.823 -6.204 1.00 0.00 H new ATOM 0 HA SER A 104 4.354 3.661 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.902 3.015 -8.660 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.030 1.674 -8.626 1.00 0.00 H new ATOM 0 HG SER A 104 2.253 2.185 -6.078 1.00 0.00 H new ATOM 971 N GLY A 105 3.026 4.896 -5.697 1.00 0.00 N ATOM 972 CA GLY A 105 2.510 6.098 -5.017 1.00 0.00 C ATOM 973 C GLY A 105 2.786 6.078 -3.503 1.00 0.00 C ATOM 974 O GLY A 105 3.247 5.080 -2.939 1.00 0.00 O ATOM 0 H GLY A 105 3.342 4.177 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.967 6.985 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.436 6.176 -5.187 1.00 0.00 H new ATOM 976 N TYR A 106 2.509 7.218 -2.873 1.00 0.00 N ATOM 977 CA TYR A 106 2.713 7.417 -1.428 1.00 0.00 C ATOM 978 C TYR A 106 1.664 8.353 -0.794 1.00 0.00 C ATOM 979 O TYR A 106 1.533 9.516 -1.192 1.00 0.00 O ATOM 980 CB TYR A 106 4.138 7.892 -1.096 1.00 0.00 C ATOM 981 CG TYR A 106 4.497 9.311 -1.556 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.830 9.533 -2.910 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.398 10.385 -0.639 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.038 10.848 -3.367 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.604 11.702 -1.087 1.00 0.00 C ATOM 986 CZ TYR A 106 4.907 11.904 -2.451 1.00 0.00 C ATOM 987 OH TYR A 106 5.039 13.188 -2.902 1.00 0.00 O ATOM 0 H TYR A 106 2.134 8.039 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 106 2.577 6.432 -0.981 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.276 7.835 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.846 7.196 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.924 8.700 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.166 10.194 0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.293 11.040 -4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.532 12.537 -0.406 1.00 0.00 H new ATOM 0 HH TYR A 106 4.922 13.811 -2.155 1.00 0.00 H new ATOM 990 N VAL A 107 1.037 7.869 0.268 1.00 0.00 N ATOM 991 CA VAL A 107 0.019 8.648 1.000 1.00 0.00 C ATOM 992 C VAL A 107 0.606 9.000 2.371 1.00 0.00 C ATOM 993 O VAL A 107 1.189 8.162 3.060 1.00 0.00 O ATOM 994 CB VAL A 107 -1.358 7.954 0.983 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.566 6.894 2.064 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.452 9.013 1.076 1.00 0.00 C ATOM 0 H VAL A 107 1.208 6.939 0.652 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.208 9.594 0.509 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.406 7.409 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.564 6.466 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.821 6.107 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.462 7.352 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.429 8.529 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.336 9.575 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.374 9.693 0.227 1.00 0.00 H new ATOM 998 N VAL A 108 0.701 10.305 2.589 1.00 0.00 N ATOM 999 CA VAL A 108 1.274 10.847 3.836 1.00 0.00 C ATOM 1000 C VAL A 108 0.263 10.879 4.994 1.00 0.00 C ATOM 1001 O VAL A 108 -0.783 11.507 4.915 1.00 0.00 O ATOM 1002 CB VAL A 108 1.949 12.204 3.578 1.00 0.00 C ATOM 1003 CG1 VAL A 108 2.569 12.834 4.829 1.00 0.00 C ATOM 1004 CG2 VAL A 108 3.058 12.013 2.539 1.00 0.00 C ATOM 0 H VAL A 108 0.392 11.015 1.926 1.00 0.00 H new ATOM 0 HA VAL A 108 2.052 10.160 4.169 1.00 0.00 H new ATOM 0 HB VAL A 108 1.167 12.880 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.026 13.788 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.793 12.996 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.330 12.166 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.545 12.969 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.792 11.301 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.627 11.633 1.613 1.00 0.00 H new ATOM 1006 N LYS A 109 0.701 10.247 6.076 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.083 10.149 7.326 1.00 0.00 C ATOM 1008 C LYS A 109 0.181 11.378 8.218 1.00 0.00 C ATOM 1009 O LYS A 109 1.349 11.765 8.355 1.00 0.00 O ATOM 1010 CB LYS A 109 0.169 8.811 8.051 1.00 0.00 C ATOM 1011 CG LYS A 109 1.640 8.482 8.340 1.00 0.00 C ATOM 1012 CD LYS A 109 1.740 7.279 9.287 1.00 0.00 C ATOM 1013 CE LYS A 109 3.199 6.919 9.572 1.00 0.00 C ATOM 1014 NZ LYS A 109 3.249 5.958 10.678 1.00 0.00 N ATOM 0 H LYS A 109 1.609 9.784 6.123 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.144 10.154 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.375 8.822 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.253 8.007 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.161 8.264 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.132 9.346 8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.229 7.506 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.231 6.422 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.662 6.492 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.765 7.815 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.240 5.786 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.732 6.342 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.811 5.063 10.380 1.00 0.00 H new ATOM 1019 N PRO A 110 -0.870 12.008 8.786 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.292 11.632 8.647 1.00 0.00 C ATOM 1021 C PRO A 110 -2.948 12.034 7.319 1.00 0.00 C ATOM 1022 O PRO A 110 -3.007 13.199 6.921 1.00 0.00 O ATOM 1023 CB PRO A 110 -2.975 12.297 9.850 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.133 13.546 10.086 1.00 0.00 C ATOM 1025 CD PRO A 110 -0.713 13.105 9.758 1.00 0.00 C ATOM 0 HA PRO A 110 -2.395 10.547 8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.014 12.547 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -2.978 11.644 10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.453 14.369 9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.215 13.893 11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.132 13.926 9.337 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.188 12.768 10.652 1.00 0.00 H new ATOM 1026 N PHE A 111 -3.532 11.006 6.710 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.231 11.080 5.419 1.00 0.00 C ATOM 1028 C PHE A 111 -5.717 10.751 5.655 1.00 0.00 C ATOM 1029 O PHE A 111 -6.062 9.888 6.453 1.00 0.00 O ATOM 1030 CB PHE A 111 -3.592 10.143 4.395 1.00 0.00 C ATOM 1031 CG PHE A 111 -3.752 8.657 4.685 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -2.995 8.042 5.698 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.739 7.941 3.962 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.254 6.693 6.031 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.984 6.596 4.275 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.254 5.983 5.325 1.00 0.00 C ATOM 0 H PHE A 111 -3.535 10.067 7.109 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.150 12.085 5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.022 10.354 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.528 10.372 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.225 8.594 6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.298 8.427 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.694 6.209 6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.721 6.033 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.465 4.957 5.590 1.00 0.00 H new ATOM 1038 N THR A 112 -6.559 11.384 4.843 1.00 0.00 N ATOM 1039 CA THR A 112 -8.030 11.227 4.901 1.00 0.00 C ATOM 1040 C THR A 112 -8.504 10.332 3.742 1.00 0.00 C ATOM 1041 O THR A 112 -7.739 10.045 2.819 1.00 0.00 O ATOM 1042 CB THR A 112 -8.749 12.572 4.738 1.00 0.00 C ATOM 1043 OG1 THR A 112 -8.531 13.097 3.422 1.00 0.00 O ATOM 1044 CG2 THR A 112 -8.376 13.577 5.831 1.00 0.00 C ATOM 0 H THR A 112 -6.248 12.028 4.116 1.00 0.00 H new ATOM 0 HA THR A 112 -8.265 10.793 5.873 1.00 0.00 H new ATOM 0 HB THR A 112 -9.817 12.392 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.568 13.164 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.914 14.511 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.645 13.171 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.303 13.766 5.800 1.00 0.00 H new ATOM 1047 N ALA A 113 -9.791 9.968 3.768 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.414 9.172 2.685 1.00 0.00 C ATOM 1049 C ALA A 113 -10.215 9.852 1.315 1.00 0.00 C ATOM 1050 O ALA A 113 -9.759 9.204 0.365 1.00 0.00 O ATOM 1051 CB ALA A 113 -11.907 8.979 2.968 1.00 0.00 C ATOM 0 H ALA A 113 -10.429 10.209 4.526 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.928 8.197 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.356 8.393 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.033 8.455 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.395 9.952 3.024 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.292 11.189 1.319 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.091 12.036 0.125 1.00 0.00 C ATOM 1055 C ALA A 114 -8.633 11.944 -0.371 1.00 0.00 C ATOM 1056 O ALA A 114 -8.401 11.537 -1.504 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.465 13.480 0.462 1.00 0.00 C ATOM 0 H ALA A 114 -10.498 11.725 2.162 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.734 11.681 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.318 14.108 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.510 13.523 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.834 13.839 1.275 1.00 0.00 H new ATOM 1059 N THR A 115 -7.684 12.134 0.556 1.00 0.00 N ATOM 1060 CA THR A 115 -6.234 12.052 0.275 1.00 0.00 C ATOM 1061 C THR A 115 -5.878 10.663 -0.277 1.00 0.00 C ATOM 1062 O THR A 115 -5.241 10.538 -1.325 1.00 0.00 O ATOM 1063 CB THR A 115 -5.415 12.302 1.554 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.004 13.344 2.348 1.00 0.00 O ATOM 1065 CG2 THR A 115 -3.966 12.693 1.211 1.00 0.00 C ATOM 0 H THR A 115 -7.897 12.351 1.530 1.00 0.00 H new ATOM 0 HA THR A 115 -5.993 12.817 -0.463 1.00 0.00 H new ATOM 0 HB THR A 115 -5.414 11.373 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.389 13.594 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.408 12.864 2.131 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.496 11.888 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.967 13.604 0.612 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.434 9.635 0.373 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.260 8.212 0.020 1.00 0.00 C ATOM 1070 C LEU A 116 -6.731 7.970 -1.435 1.00 0.00 C ATOM 1071 O LEU A 116 -5.919 7.641 -2.297 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.011 7.336 1.029 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.805 5.837 0.805 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.328 5.436 0.800 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.544 5.064 1.904 1.00 0.00 C ATOM 0 H LEU A 116 -7.037 9.769 1.185 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.206 7.939 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.684 7.593 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.076 7.561 0.972 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.204 5.592 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.243 4.362 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.810 5.966 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.878 5.694 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.403 3.994 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.147 5.348 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.607 5.300 1.862 1.00 0.00 H new ATOM 1077 N GLU A 117 -7.985 8.336 -1.720 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.581 8.176 -3.069 1.00 0.00 C ATOM 1079 C GLU A 117 -7.786 8.949 -4.139 1.00 0.00 C ATOM 1080 O GLU A 117 -7.534 8.409 -5.212 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.041 8.622 -3.084 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.753 8.040 -4.311 1.00 0.00 C ATOM 1083 CD GLU A 117 -12.189 8.563 -4.425 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -13.039 8.030 -3.678 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.378 9.514 -5.216 1.00 0.00 O ATOM 0 H GLU A 117 -8.618 8.749 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.535 7.114 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.540 8.292 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.097 9.710 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.197 8.299 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.765 6.952 -4.245 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.362 10.169 -3.804 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.571 11.036 -4.700 1.00 0.00 C ATOM 1089 C GLU A 118 -5.331 10.287 -5.237 1.00 0.00 C ATOM 1090 O GLU A 118 -5.120 10.218 -6.441 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.230 12.321 -3.925 1.00 0.00 C ATOM 1092 CG GLU A 118 -5.464 13.396 -4.702 1.00 0.00 C ATOM 1093 CD GLU A 118 -3.946 13.155 -4.752 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -3.378 12.847 -3.682 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -3.385 13.370 -5.849 1.00 0.00 O ATOM 0 H GLU A 118 -7.556 10.593 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.140 11.312 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.160 12.758 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.642 12.047 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.850 13.441 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.654 14.367 -4.246 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.621 9.622 -4.323 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.431 8.822 -4.667 1.00 0.00 C ATOM 1099 C LYS A 119 -3.800 7.540 -5.447 1.00 0.00 C ATOM 1100 O LYS A 119 -3.182 7.248 -6.464 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.602 8.482 -3.421 1.00 0.00 C ATOM 1102 CG LYS A 119 -1.861 9.708 -2.860 1.00 0.00 C ATOM 1103 CD LYS A 119 -0.824 10.310 -3.825 1.00 0.00 C ATOM 1104 CE LYS A 119 0.372 9.398 -4.076 1.00 0.00 C ATOM 1105 NZ LYS A 119 1.306 10.027 -5.023 1.00 0.00 N ATOM 0 H LYS A 119 -4.848 9.619 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.817 9.439 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.257 8.073 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.879 7.705 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.592 10.475 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.359 9.424 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.309 10.531 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -0.470 11.258 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.883 9.190 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.031 8.441 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.950 9.306 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.771 10.461 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.858 10.759 -4.532 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.860 6.864 -5.010 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.361 5.628 -5.666 1.00 0.00 C ATOM 1112 C LEU A 120 -5.698 5.838 -7.155 1.00 0.00 C ATOM 1113 O LEU A 120 -5.235 5.095 -8.017 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.588 5.078 -4.923 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.260 4.580 -3.517 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.551 4.315 -2.743 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.387 3.326 -3.541 1.00 0.00 C ATOM 0 H LEU A 120 -5.404 7.145 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.550 4.901 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.347 5.858 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.020 4.261 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.689 5.361 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.308 3.960 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.128 5.237 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.139 3.559 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.179 3.008 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.909 2.529 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.449 3.545 -4.051 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.417 6.927 -7.429 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.833 7.345 -8.786 1.00 0.00 C ATOM 1121 C ASN A 121 -5.634 7.431 -9.747 1.00 0.00 C ATOM 1122 O ASN A 121 -5.613 6.807 -10.815 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.536 8.709 -8.690 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.939 8.628 -8.066 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.531 7.584 -7.845 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.463 9.767 -7.652 1.00 0.00 N ATOM 0 H ASN A 121 -6.739 7.565 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.516 6.597 -9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.921 9.386 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.614 9.141 -9.688 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.353 9.768 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.978 10.646 -7.831 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.604 8.123 -9.272 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.313 8.327 -9.957 1.00 0.00 C ATOM 1132 C LYS A 122 -2.697 6.981 -10.406 1.00 0.00 C ATOM 1133 O LYS A 122 -2.418 6.786 -11.587 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.416 9.060 -8.950 1.00 0.00 C ATOM 1135 CG LYS A 122 -0.985 9.342 -9.412 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.232 10.004 -8.263 1.00 0.00 C ATOM 1137 CE LYS A 122 1.243 10.261 -8.587 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.985 8.997 -8.682 1.00 0.00 N ATOM 0 H LYS A 122 -4.638 8.580 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.432 8.911 -10.870 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.889 10.009 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.372 8.470 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.491 8.416 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.990 9.992 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.715 10.950 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.300 9.371 -7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.324 10.807 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.685 10.890 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.000 9.197 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.827 8.436 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.653 8.461 -9.509 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.675 6.021 -9.482 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.132 4.656 -9.708 1.00 0.00 C ATOM 1145 C ILE A 123 -2.902 3.949 -10.838 1.00 0.00 C ATOM 1146 O ILE A 123 -2.294 3.439 -11.780 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.196 3.790 -8.436 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.760 4.505 -7.142 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.420 2.477 -8.628 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -0.372 5.150 -7.152 1.00 0.00 C ATOM 0 H ILE A 123 -3.036 6.158 -8.538 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.086 4.775 -9.989 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.254 3.570 -8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.494 5.279 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.795 3.784 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.480 1.882 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.853 1.916 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.376 2.700 -8.848 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.182 5.620 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.383 4.386 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.327 5.904 -7.938 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.236 3.995 -10.770 1.00 0.00 N ATOM 1153 CA PHE A 124 -5.127 3.358 -11.760 1.00 0.00 C ATOM 1154 C PHE A 124 -4.890 3.851 -13.200 1.00 0.00 C ATOM 1155 O PHE A 124 -4.800 3.039 -14.113 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.594 3.501 -11.361 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.930 2.807 -10.031 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -6.278 1.605 -9.655 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.773 3.482 -9.128 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.442 1.103 -8.347 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.936 2.979 -7.820 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.264 1.797 -7.436 1.00 0.00 C ATOM 0 H PHE A 124 -4.737 4.477 -10.024 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.872 2.298 -11.756 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.841 4.560 -11.284 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -7.221 3.084 -12.149 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.660 1.077 -10.366 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.291 4.379 -9.434 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.942 0.194 -8.046 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.571 3.495 -7.116 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.382 1.420 -6.431 1.00 0.00 H new