USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 881 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 106 TYR OH : rot -151:sc= 0.375 USER MOD Set 1.2: A 108 SER OG : rot -101:sc= 0.181! USER MOD Set 2.1: A 105 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 2.2: A 107 CYS SG : rot 140:sc= -4.23! USER MOD Set 3.1: A 7 ASN : amide:sc= -0.449 X(o=-0.48,f=-0.82) USER MOD Set 3.2: A 11 LYS NZ :NH3+ 163:sc= -0.0348 (180deg=-0.41) USER MOD Single : A 1 GLY N :NH3+ 173:sc= -0.168 (180deg=-0.198) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= -0.0148 (180deg=-0.337) USER MOD Single : A 9 LYS NZ :NH3+ -136:sc= -0.564 (180deg=-1.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -1.17 (180deg=-1.91) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -1.13 (180deg=-1.84) USER MOD Single : A 39 CYS SG : rot 178:sc= -2.26! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -81:sc= 0.939 USER MOD Single : A 66 SER OG : rot 180:sc= -0.272 USER MOD Single : A 68 CYS SG : rot -55:sc= -2.12! USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0238 (180deg=-0.297) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -115:sc= -3.31 (180deg=-5.93) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 97:sc= 0.954 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.761 -19.980 2.737 1.00 0.00 N ATOM 2 CA GLY A 1 -12.502 -21.273 2.756 1.00 0.00 C ATOM 3 C GLY A 1 -13.428 -21.312 3.966 1.00 0.00 C ATOM 4 O GLY A 1 -14.013 -22.348 4.281 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.046 -20.001 1.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.427 -19.201 2.561 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.293 -19.835 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.080 -21.386 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.800 -22.106 2.795 1.00 0.00 H new ATOM 7 N LYS A 2 -13.558 -20.174 4.640 1.00 0.00 N ATOM 8 CA LYS A 2 -14.417 -20.086 5.814 1.00 0.00 C ATOM 9 C LYS A 2 -15.885 -20.017 5.394 1.00 0.00 C ATOM 10 O LYS A 2 -16.222 -19.404 4.381 1.00 0.00 O ATOM 11 CB LYS A 2 -14.059 -18.846 6.633 1.00 0.00 C ATOM 12 CG LYS A 2 -12.863 -19.159 7.531 1.00 0.00 C ATOM 13 CD LYS A 2 -12.387 -17.881 8.204 1.00 0.00 C ATOM 14 CE LYS A 2 -13.453 -17.364 9.178 1.00 0.00 C ATOM 15 NZ LYS A 2 -12.831 -16.406 10.136 1.00 0.00 N ATOM 0 H LYS A 2 -13.083 -19.305 4.395 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.264 -20.977 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.822 -18.014 5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.911 -18.538 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.143 -19.897 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.056 -19.595 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.456 -18.069 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.174 -17.123 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.256 -16.874 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.900 -18.197 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.555 -16.056 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.079 -16.887 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.425 -15.605 9.612 1.00 0.00 H new ATOM 29 N LYS A 3 -16.753 -20.642 6.184 1.00 0.00 N ATOM 30 CA LYS A 3 -18.189 -20.642 5.897 1.00 0.00 C ATOM 31 C LYS A 3 -18.984 -20.312 7.154 1.00 0.00 C ATOM 32 O LYS A 3 -20.208 -20.175 7.108 1.00 0.00 O ATOM 33 CB LYS A 3 -18.610 -22.012 5.367 1.00 0.00 C ATOM 34 CG LYS A 3 -17.969 -22.243 3.997 1.00 0.00 C ATOM 35 CD LYS A 3 -18.376 -23.618 3.468 1.00 0.00 C ATOM 36 CE LYS A 3 -17.788 -23.826 2.072 1.00 0.00 C ATOM 37 NZ LYS A 3 -16.301 -23.877 2.162 1.00 0.00 N ATOM 0 H LYS A 3 -16.491 -21.154 7.026 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.394 -19.882 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.302 -22.794 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.696 -22.066 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.284 -21.466 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.884 -22.179 4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.022 -24.398 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.462 -23.698 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.169 -24.751 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.095 -23.015 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.914 -24.281 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.928 -22.915 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.022 -24.470 2.969 1.00 0.00 H new ATOM 51 N VAL A 4 -18.288 -20.184 8.277 1.00 0.00 N ATOM 52 CA VAL A 4 -18.947 -19.871 9.537 1.00 0.00 C ATOM 53 C VAL A 4 -19.313 -18.397 9.612 1.00 0.00 C ATOM 54 O VAL A 4 -20.460 -18.042 9.879 1.00 0.00 O ATOM 55 CB VAL A 4 -18.035 -20.239 10.716 1.00 0.00 C ATOM 56 CG1 VAL A 4 -16.703 -19.471 10.606 1.00 0.00 C ATOM 57 CG2 VAL A 4 -18.733 -19.898 12.052 1.00 0.00 C ATOM 0 H VAL A 4 -17.276 -20.291 8.341 1.00 0.00 H new ATOM 0 HA VAL A 4 -19.864 -20.457 9.592 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.832 -21.310 10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -16.060 -19.736 11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.207 -19.734 9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.899 -18.399 10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -18.078 -20.163 12.882 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.950 -18.830 12.087 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.664 -20.460 12.130 1.00 0.00 H new ATOM 67 N GLU A 5 -18.328 -17.552 9.367 1.00 0.00 N ATOM 68 CA GLU A 5 -18.524 -16.104 9.405 1.00 0.00 C ATOM 69 C GLU A 5 -17.515 -15.398 8.506 1.00 0.00 C ATOM 70 O GLU A 5 -16.402 -15.885 8.299 1.00 0.00 O ATOM 71 CB GLU A 5 -18.381 -15.580 10.843 1.00 0.00 C ATOM 72 CG GLU A 5 -19.628 -15.937 11.658 1.00 0.00 C ATOM 73 CD GLU A 5 -19.565 -15.271 13.027 1.00 0.00 C ATOM 74 OE1 GLU A 5 -18.640 -14.512 13.255 1.00 0.00 O ATOM 75 OE2 GLU A 5 -20.453 -15.527 13.827 1.00 0.00 O ATOM 0 H GLU A 5 -17.377 -17.840 9.138 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.530 -15.893 9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.496 -16.012 11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.241 -14.499 10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.524 -15.613 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.699 -17.018 11.774 1.00 0.00 H new ATOM 82 N PHE A 6 -17.913 -14.243 7.977 1.00 0.00 N ATOM 83 CA PHE A 6 -17.043 -13.459 7.102 1.00 0.00 C ATOM 84 C PHE A 6 -16.445 -12.282 7.864 1.00 0.00 C ATOM 85 O PHE A 6 -17.168 -11.480 8.455 1.00 0.00 O ATOM 86 CB PHE A 6 -17.843 -12.943 5.902 1.00 0.00 C ATOM 87 CG PHE A 6 -18.056 -14.066 4.913 1.00 0.00 C ATOM 88 CD1 PHE A 6 -16.990 -14.500 4.114 1.00 0.00 C ATOM 89 CD2 PHE A 6 -19.311 -14.677 4.797 1.00 0.00 C ATOM 90 CE1 PHE A 6 -17.179 -15.539 3.199 1.00 0.00 C ATOM 91 CE2 PHE A 6 -19.499 -15.719 3.880 1.00 0.00 C ATOM 92 CZ PHE A 6 -18.432 -16.149 3.081 1.00 0.00 C ATOM 0 H PHE A 6 -18.831 -13.829 8.138 1.00 0.00 H new ATOM 0 HA PHE A 6 -16.233 -14.098 6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -18.804 -12.551 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -17.311 -12.120 5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -16.021 -14.031 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -20.133 -14.345 5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -16.357 -15.871 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -20.466 -16.191 3.789 1.00 0.00 H new ATOM 0 HZ PHE A 6 -18.577 -16.952 2.373 1.00 0.00 H new ATOM 102 N ASN A 7 -15.120 -12.189 7.841 1.00 0.00 N ATOM 103 CA ASN A 7 -14.427 -11.110 8.530 1.00 0.00 C ATOM 104 C ASN A 7 -12.938 -11.139 8.208 1.00 0.00 C ATOM 105 O ASN A 7 -12.098 -11.151 9.109 1.00 0.00 O ATOM 106 CB ASN A 7 -14.626 -11.242 10.039 1.00 0.00 C ATOM 107 CG ASN A 7 -14.026 -10.036 10.752 1.00 0.00 C ATOM 108 OD1 ASN A 7 -13.084 -10.180 11.532 1.00 0.00 O ATOM 109 ND2 ASN A 7 -14.516 -8.848 10.530 1.00 0.00 N ATOM 0 H ASN A 7 -14.508 -12.845 7.355 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.843 -10.161 8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -15.689 -11.319 10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.156 -12.158 10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.119 -8.036 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.296 -8.731 9.884 1.00 0.00 H new ATOM 116 N ASP A 8 -12.615 -11.152 6.919 1.00 0.00 N ATOM 117 CA ASP A 8 -11.220 -11.179 6.488 1.00 0.00 C ATOM 118 C ASP A 8 -10.427 -12.181 7.320 1.00 0.00 C ATOM 119 O ASP A 8 -11.001 -13.002 8.034 1.00 0.00 O ATOM 120 CB ASP A 8 -10.596 -9.789 6.632 1.00 0.00 C ATOM 121 CG ASP A 8 -9.323 -9.692 5.797 1.00 0.00 C ATOM 122 OD1 ASP A 8 -8.986 -10.670 5.149 1.00 0.00 O ATOM 123 OD2 ASP A 8 -8.700 -8.643 5.820 1.00 0.00 O ATOM 0 H ASP A 8 -13.294 -11.144 6.158 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.189 -11.481 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.308 -9.028 6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.368 -9.592 7.679 1.00 0.00 H new ATOM 128 N LYS A 9 -9.108 -12.114 7.213 1.00 0.00 N ATOM 129 CA LYS A 9 -8.250 -13.030 7.950 1.00 0.00 C ATOM 130 C LYS A 9 -8.702 -13.142 9.407 1.00 0.00 C ATOM 131 O LYS A 9 -9.366 -12.244 9.931 1.00 0.00 O ATOM 132 CB LYS A 9 -6.786 -12.538 7.889 1.00 0.00 C ATOM 133 CG LYS A 9 -6.031 -13.271 6.783 1.00 0.00 C ATOM 134 CD LYS A 9 -6.631 -12.894 5.429 1.00 0.00 C ATOM 135 CE LYS A 9 -5.752 -13.452 4.309 1.00 0.00 C ATOM 136 NZ LYS A 9 -4.368 -12.925 4.460 1.00 0.00 N ATOM 0 H LYS A 9 -8.612 -11.441 6.628 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.320 -14.016 7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.763 -11.464 7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.297 -12.708 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.974 -13.007 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.095 -14.348 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.642 -13.291 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.706 -11.810 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.745 -14.541 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.157 -13.169 3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.006 -12.629 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.376 -12.109 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.754 -13.668 4.850 1.00 0.00 H new ATOM 150 N PRO A 10 -8.351 -14.221 10.061 1.00 0.00 N ATOM 151 CA PRO A 10 -8.721 -14.444 11.482 1.00 0.00 C ATOM 152 C PRO A 10 -7.966 -13.507 12.426 1.00 0.00 C ATOM 153 O PRO A 10 -6.888 -13.013 12.093 1.00 0.00 O ATOM 154 CB PRO A 10 -8.348 -15.915 11.733 1.00 0.00 C ATOM 155 CG PRO A 10 -7.267 -16.214 10.745 1.00 0.00 C ATOM 156 CD PRO A 10 -7.567 -15.348 9.519 1.00 0.00 C ATOM 0 HA PRO A 10 -9.774 -14.237 11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.001 -16.065 12.755 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.207 -16.570 11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.285 -15.980 11.157 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.259 -17.272 10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.651 -15.003 9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.130 -15.901 8.768 1.00 0.00 H new ATOM 164 N LYS A 11 -8.541 -13.272 13.604 1.00 0.00 N ATOM 165 CA LYS A 11 -7.924 -12.398 14.602 1.00 0.00 C ATOM 166 C LYS A 11 -7.840 -13.107 15.946 1.00 0.00 C ATOM 167 O LYS A 11 -8.725 -13.879 16.314 1.00 0.00 O ATOM 168 CB LYS A 11 -8.740 -11.113 14.746 1.00 0.00 C ATOM 169 CG LYS A 11 -8.653 -10.305 13.450 1.00 0.00 C ATOM 170 CD LYS A 11 -9.479 -9.027 13.588 1.00 0.00 C ATOM 171 CE LYS A 11 -9.363 -8.201 12.307 1.00 0.00 C ATOM 172 NZ LYS A 11 -9.979 -8.951 11.175 1.00 0.00 N ATOM 0 H LYS A 11 -9.433 -13.674 13.891 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.916 -12.148 14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.780 -11.353 14.968 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.364 -10.522 15.581 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.614 -10.057 13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.020 -10.899 12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.523 -9.276 13.779 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.128 -8.446 14.441 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.861 -7.240 12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.316 -7.991 12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.163 -8.299 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.330 -9.700 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.875 -9.378 11.488 1.00 0.00 H new ATOM 186 N VAL A 12 -6.766 -12.836 16.678 1.00 0.00 N ATOM 187 CA VAL A 12 -6.563 -13.448 17.984 1.00 0.00 C ATOM 188 C VAL A 12 -6.561 -14.970 17.868 1.00 0.00 C ATOM 189 O VAL A 12 -7.227 -15.663 18.637 1.00 0.00 O ATOM 190 CB VAL A 12 -7.674 -13.009 18.944 1.00 0.00 C ATOM 191 CG1 VAL A 12 -7.235 -13.249 20.392 1.00 0.00 C ATOM 192 CG2 VAL A 12 -7.958 -11.519 18.742 1.00 0.00 C ATOM 0 H VAL A 12 -6.024 -12.198 16.390 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.597 -13.123 18.371 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.575 -13.588 18.740 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.029 -12.935 21.070 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.031 -14.309 20.539 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.333 -12.673 20.599 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.748 -11.204 19.424 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.054 -10.945 18.945 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.275 -11.345 17.714 1.00 0.00 H new ATOM 202 N ARG A 13 -5.809 -15.485 16.899 1.00 0.00 N ATOM 203 CA ARG A 13 -5.729 -16.928 16.691 1.00 0.00 C ATOM 204 C ARG A 13 -4.393 -17.301 16.061 1.00 0.00 C ATOM 205 O ARG A 13 -3.798 -16.511 15.327 1.00 0.00 O ATOM 206 CB ARG A 13 -6.876 -17.388 15.789 1.00 0.00 C ATOM 207 CG ARG A 13 -6.845 -18.911 15.658 1.00 0.00 C ATOM 208 CD ARG A 13 -8.029 -19.375 14.813 1.00 0.00 C ATOM 209 NE ARG A 13 -8.082 -20.833 14.782 1.00 0.00 N ATOM 210 CZ ARG A 13 -8.717 -21.522 15.726 1.00 0.00 C ATOM 211 NH1 ARG A 13 -9.303 -20.896 16.709 1.00 0.00 N ATOM 212 NH2 ARG A 13 -8.748 -22.826 15.672 1.00 0.00 N ATOM 0 H ARG A 13 -5.251 -14.930 16.250 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.810 -17.425 17.658 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.831 -17.068 16.206 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.787 -16.926 14.806 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.910 -19.228 15.197 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.886 -19.372 16.645 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.957 -18.978 15.224 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.937 -18.985 13.799 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.623 -21.334 14.021 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.274 -19.877 16.754 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.790 -21.425 17.433 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.285 -23.316 14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.235 -23.355 16.396 1.00 0.00 H new ATOM 226 N LYS A 14 -3.924 -18.509 16.353 1.00 0.00 N ATOM 227 CA LYS A 14 -2.654 -18.976 15.812 1.00 0.00 C ATOM 228 C LYS A 14 -2.679 -18.938 14.293 1.00 0.00 C ATOM 229 O LYS A 14 -3.632 -19.400 13.664 1.00 0.00 O ATOM 230 CB LYS A 14 -2.388 -20.400 16.275 1.00 0.00 C ATOM 231 CG LYS A 14 -0.939 -20.780 15.959 1.00 0.00 C ATOM 232 CD LYS A 14 -0.649 -22.204 16.455 1.00 0.00 C ATOM 233 CE LYS A 14 -0.489 -22.219 17.982 1.00 0.00 C ATOM 234 NZ LYS A 14 0.104 -23.516 18.403 1.00 0.00 N ATOM 0 H LYS A 14 -4.401 -19.178 16.957 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.862 -18.320 16.172 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.572 -20.485 17.346 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.072 -21.088 15.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.764 -20.718 14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.257 -20.075 16.435 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.461 -22.870 16.162 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.259 -22.582 15.985 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.149 -21.394 18.300 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.457 -22.076 18.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.213 -23.528 19.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.521 -24.294 18.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.035 -23.634 17.955 1.00 0.00 H new ATOM 248 N ILE A 15 -1.631 -18.374 13.712 1.00 0.00 N ATOM 249 CA ILE A 15 -1.544 -18.269 12.263 1.00 0.00 C ATOM 250 C ILE A 15 -1.406 -19.652 11.625 1.00 0.00 C ATOM 251 O ILE A 15 -0.908 -20.589 12.253 1.00 0.00 O ATOM 252 CB ILE A 15 -0.339 -17.390 11.865 1.00 0.00 C ATOM 253 CG1 ILE A 15 0.765 -17.535 12.920 1.00 0.00 C ATOM 254 CG2 ILE A 15 -0.769 -15.925 11.775 1.00 0.00 C ATOM 255 CD1 ILE A 15 2.085 -17.010 12.356 1.00 0.00 C ATOM 0 H ILE A 15 -0.835 -17.985 14.217 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.463 -17.808 11.900 1.00 0.00 H new ATOM 0 HB ILE A 15 0.036 -17.712 10.893 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.497 -16.982 13.820 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.871 -18.581 13.208 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.087 -15.311 11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.552 -15.821 11.024 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.148 -15.597 12.743 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.868 -17.114 13.107 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.355 -17.583 11.469 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.974 -15.959 12.090 1.00 0.00 H new ATOM 267 N PRO A 16 -1.824 -19.789 10.392 1.00 0.00 N ATOM 268 CA PRO A 16 -1.735 -21.080 9.653 1.00 0.00 C ATOM 269 C PRO A 16 -0.285 -21.463 9.344 1.00 0.00 C ATOM 270 O PRO A 16 0.653 -20.922 9.930 1.00 0.00 O ATOM 271 CB PRO A 16 -2.535 -20.820 8.361 1.00 0.00 C ATOM 272 CG PRO A 16 -2.484 -19.340 8.166 1.00 0.00 C ATOM 273 CD PRO A 16 -2.443 -18.732 9.566 1.00 0.00 C ATOM 0 HA PRO A 16 -2.127 -21.916 10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.096 -21.345 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.563 -21.170 8.456 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.604 -19.052 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.356 -18.989 7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.856 -17.814 9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.442 -18.480 9.922 1.00 0.00 H new ATOM 281 N SER A 17 -0.119 -22.404 8.422 1.00 0.00 N ATOM 282 CA SER A 17 1.208 -22.865 8.034 1.00 0.00 C ATOM 283 C SER A 17 1.897 -21.828 7.153 1.00 0.00 C ATOM 284 O SER A 17 3.017 -22.039 6.692 1.00 0.00 O ATOM 285 CB SER A 17 1.110 -24.191 7.283 1.00 0.00 C ATOM 286 OG SER A 17 0.212 -25.054 7.969 1.00 0.00 O ATOM 0 H SER A 17 -0.886 -22.862 7.930 1.00 0.00 H new ATOM 0 HA SER A 17 1.798 -23.009 8.939 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.762 -24.020 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.094 -24.655 7.210 1.00 0.00 H new ATOM 0 HG SER A 17 0.145 -25.906 7.489 1.00 0.00 H new ATOM 292 N THR A 18 1.215 -20.708 6.917 1.00 0.00 N ATOM 293 CA THR A 18 1.768 -19.647 6.082 1.00 0.00 C ATOM 294 C THR A 18 2.651 -18.729 6.911 1.00 0.00 C ATOM 295 O THR A 18 2.672 -18.822 8.138 1.00 0.00 O ATOM 296 CB THR A 18 0.636 -18.829 5.456 1.00 0.00 C ATOM 297 OG1 THR A 18 0.091 -17.952 6.433 1.00 0.00 O ATOM 298 CG2 THR A 18 -0.453 -19.773 4.943 1.00 0.00 C ATOM 0 H THR A 18 0.286 -20.514 7.290 1.00 0.00 H new ATOM 0 HA THR A 18 2.366 -20.104 5.294 1.00 0.00 H new ATOM 0 HB THR A 18 1.025 -18.244 4.623 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.633 -17.426 6.033 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.259 -19.190 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.031 -20.442 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.846 -20.360 5.773 1.00 0.00 H new ATOM 306 N ARG A 19 3.389 -17.846 6.237 1.00 0.00 N ATOM 307 CA ARG A 19 4.286 -16.918 6.928 1.00 0.00 C ATOM 308 C ARG A 19 3.796 -15.488 6.751 1.00 0.00 C ATOM 309 O ARG A 19 2.875 -15.231 5.981 1.00 0.00 O ATOM 310 CB ARG A 19 5.708 -17.054 6.374 1.00 0.00 C ATOM 311 CG ARG A 19 5.654 -17.124 4.850 1.00 0.00 C ATOM 312 CD ARG A 19 7.074 -17.134 4.288 1.00 0.00 C ATOM 313 NE ARG A 19 7.724 -15.851 4.543 1.00 0.00 N ATOM 314 CZ ARG A 19 8.991 -15.645 4.202 1.00 0.00 C ATOM 315 NH1 ARG A 19 9.678 -16.595 3.632 1.00 0.00 N ATOM 316 NH2 ARG A 19 9.550 -14.488 4.439 1.00 0.00 N ATOM 0 H ARG A 19 3.384 -17.754 5.221 1.00 0.00 H new ATOM 0 HA ARG A 19 4.293 -17.161 7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.315 -16.205 6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.182 -17.951 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.121 -18.021 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.102 -16.271 4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.649 -17.939 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.048 -17.331 3.216 1.00 0.00 H new ATOM 0 HE ARG A 19 7.196 -15.101 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.243 -17.499 3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.651 -16.435 3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.013 -13.744 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.523 -14.329 4.178 1.00 0.00 H new ATOM 330 N LYS A 20 4.418 -14.563 7.477 1.00 0.00 N ATOM 331 CA LYS A 20 4.037 -13.154 7.404 1.00 0.00 C ATOM 332 C LYS A 20 5.149 -12.338 6.769 1.00 0.00 C ATOM 333 O LYS A 20 6.331 -12.649 6.924 1.00 0.00 O ATOM 334 CB LYS A 20 3.748 -12.620 8.803 1.00 0.00 C ATOM 335 CG LYS A 20 2.742 -13.535 9.502 1.00 0.00 C ATOM 336 CD LYS A 20 2.271 -12.874 10.802 1.00 0.00 C ATOM 337 CE LYS A 20 3.468 -12.608 11.715 1.00 0.00 C ATOM 338 NZ LYS A 20 4.415 -13.758 11.647 1.00 0.00 N ATOM 0 H LYS A 20 5.185 -14.761 8.120 1.00 0.00 H new ATOM 0 HA LYS A 20 3.140 -13.068 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.670 -12.568 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.352 -11.606 8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.891 -13.725 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.200 -14.500 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.758 -11.939 10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.553 -13.519 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.972 -11.690 11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.130 -12.462 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.009 -13.770 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.878 -14.647 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.019 -13.661 10.806 1.00 0.00 H new ATOM 352 N ILE A 21 4.763 -11.291 6.047 1.00 0.00 N ATOM 353 CA ILE A 21 5.724 -10.420 5.375 1.00 0.00 C ATOM 354 C ILE A 21 5.785 -9.074 6.075 1.00 0.00 C ATOM 355 O ILE A 21 4.745 -8.484 6.396 1.00 0.00 O ATOM 356 CB ILE A 21 5.311 -10.212 3.913 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.453 -9.507 3.160 1.00 0.00 C ATOM 358 CG2 ILE A 21 4.036 -9.349 3.849 1.00 0.00 C ATOM 359 CD1 ILE A 21 7.692 -10.417 3.073 1.00 0.00 C ATOM 0 H ILE A 21 3.788 -11.024 5.911 1.00 0.00 H new ATOM 0 HA ILE A 21 6.706 -10.891 5.411 1.00 0.00 H new ATOM 0 HB ILE A 21 5.110 -11.178 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.122 -9.238 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.712 -8.579 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.747 -9.204 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.230 -9.851 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.229 -8.380 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.487 -9.899 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.033 -10.664 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.434 -11.333 2.542 1.00 0.00 H new ATOM 371 N LYS A 22 7.011 -8.596 6.301 1.00 0.00 N ATOM 372 CA LYS A 22 7.226 -7.310 6.963 1.00 0.00 C ATOM 373 C LYS A 22 8.342 -6.531 6.270 1.00 0.00 C ATOM 374 O LYS A 22 8.651 -5.401 6.646 1.00 0.00 O ATOM 375 CB LYS A 22 7.601 -7.540 8.432 1.00 0.00 C ATOM 376 CG LYS A 22 7.371 -6.253 9.231 1.00 0.00 C ATOM 377 CD LYS A 22 7.635 -6.512 10.709 1.00 0.00 C ATOM 378 CE LYS A 22 7.393 -5.221 11.494 1.00 0.00 C ATOM 379 NZ LYS A 22 7.656 -5.464 12.938 1.00 0.00 N ATOM 0 H LYS A 22 7.868 -9.081 6.035 1.00 0.00 H new ATOM 0 HA LYS A 22 6.304 -6.732 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.002 -8.350 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.645 -7.845 8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.030 -5.465 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.348 -5.904 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.980 -7.303 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.660 -6.854 10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.044 -4.429 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.367 -4.883 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.492 -4.587 13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.018 -6.207 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.643 -5.768 13.065 1.00 0.00 H new ATOM 393 N ILE A 23 8.952 -7.133 5.254 1.00 0.00 N ATOM 394 CA ILE A 23 10.040 -6.480 4.526 1.00 0.00 C ATOM 395 C ILE A 23 9.538 -5.937 3.197 1.00 0.00 C ATOM 396 O ILE A 23 9.013 -6.681 2.369 1.00 0.00 O ATOM 397 CB ILE A 23 11.162 -7.489 4.276 1.00 0.00 C ATOM 398 CG1 ILE A 23 11.623 -8.114 5.618 1.00 0.00 C ATOM 399 CG2 ILE A 23 12.339 -6.773 3.599 1.00 0.00 C ATOM 400 CD1 ILE A 23 12.045 -9.567 5.396 1.00 0.00 C ATOM 0 H ILE A 23 8.715 -8.066 4.916 1.00 0.00 H new ATOM 0 HA ILE A 23 10.417 -5.650 5.124 1.00 0.00 H new ATOM 0 HB ILE A 23 10.798 -8.286 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.456 -7.543 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.815 -8.068 6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.143 -7.486 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.010 -6.348 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.701 -5.975 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.368 -10.001 6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.201 -10.135 5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.867 -9.602 4.682 1.00 0.00 H new ATOM 412 N THR A 24 9.705 -4.634 3.000 1.00 0.00 N ATOM 413 CA THR A 24 9.267 -3.991 1.768 1.00 0.00 C ATOM 414 C THR A 24 10.193 -2.833 1.413 1.00 0.00 C ATOM 415 O THR A 24 10.688 -2.133 2.296 1.00 0.00 O ATOM 416 CB THR A 24 7.836 -3.476 1.930 1.00 0.00 C ATOM 417 OG1 THR A 24 7.013 -4.524 2.424 1.00 0.00 O ATOM 418 CG2 THR A 24 7.304 -3.002 0.576 1.00 0.00 C ATOM 0 H THR A 24 10.139 -4.005 3.675 1.00 0.00 H new ATOM 0 HA THR A 24 9.298 -4.725 0.963 1.00 0.00 H new ATOM 0 HB THR A 24 7.826 -2.642 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.095 -4.197 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.284 -2.636 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.937 -2.199 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.312 -3.833 -0.129 1.00 0.00 H new ATOM 426 N PHE A 25 10.421 -2.641 0.119 1.00 0.00 N ATOM 427 CA PHE A 25 11.290 -1.565 -0.337 1.00 0.00 C ATOM 428 C PHE A 25 10.526 -0.247 -0.370 1.00 0.00 C ATOM 429 O PHE A 25 9.527 -0.117 -1.080 1.00 0.00 O ATOM 430 CB PHE A 25 11.816 -1.880 -1.739 1.00 0.00 C ATOM 431 CG PHE A 25 12.937 -0.926 -2.086 1.00 0.00 C ATOM 432 CD1 PHE A 25 12.640 0.354 -2.568 1.00 0.00 C ATOM 433 CD2 PHE A 25 14.268 -1.322 -1.921 1.00 0.00 C ATOM 434 CE1 PHE A 25 13.680 1.240 -2.885 1.00 0.00 C ATOM 435 CE2 PHE A 25 15.306 -0.438 -2.236 1.00 0.00 C ATOM 436 CZ PHE A 25 15.011 0.843 -2.719 1.00 0.00 C ATOM 0 H PHE A 25 10.020 -3.211 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 25 12.127 -1.477 0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.174 -2.909 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.011 -1.792 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.612 0.659 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.495 -2.311 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 25 13.453 2.228 -3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.334 -0.743 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.812 1.525 -2.964 1.00 0.00 H new ATOM 446 N ALA A 26 10.997 0.727 0.406 1.00 0.00 N ATOM 447 CA ALA A 26 10.351 2.039 0.467 1.00 0.00 C ATOM 448 C ALA A 26 11.088 3.040 -0.414 1.00 0.00 C ATOM 449 O ALA A 26 12.319 3.069 -0.447 1.00 0.00 O ATOM 450 CB ALA A 26 10.339 2.548 1.904 1.00 0.00 C ATOM 0 H ALA A 26 11.821 0.634 1.000 1.00 0.00 H new ATOM 0 HA ALA A 26 9.328 1.934 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.857 3.525 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.789 1.848 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.363 2.635 2.268 1.00 0.00 H new ATOM 456 N LEU A 27 10.325 3.855 -1.130 1.00 0.00 N ATOM 457 CA LEU A 27 10.909 4.855 -2.015 1.00 0.00 C ATOM 458 C LEU A 27 11.682 5.893 -1.213 1.00 0.00 C ATOM 459 O LEU A 27 12.762 6.325 -1.616 1.00 0.00 O ATOM 460 CB LEU A 27 9.802 5.537 -2.831 1.00 0.00 C ATOM 461 CG LEU A 27 9.401 4.640 -4.014 1.00 0.00 C ATOM 462 CD1 LEU A 27 10.545 4.555 -5.054 1.00 0.00 C ATOM 463 CD2 LEU A 27 9.069 3.234 -3.485 1.00 0.00 C ATOM 0 H LEU A 27 9.305 3.844 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 27 11.602 4.359 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.936 5.728 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.149 6.503 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 27 8.528 5.069 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.238 3.915 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.769 5.553 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.435 4.137 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.783 2.590 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.944 2.817 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.244 3.298 -2.776 1.00 0.00 H new ATOM 475 N ASP A 28 11.122 6.287 -0.078 1.00 0.00 N ATOM 476 CA ASP A 28 11.766 7.282 0.770 1.00 0.00 C ATOM 477 C ASP A 28 11.284 7.141 2.210 1.00 0.00 C ATOM 478 O ASP A 28 10.521 6.231 2.535 1.00 0.00 O ATOM 479 CB ASP A 28 11.451 8.689 0.258 1.00 0.00 C ATOM 480 CG ASP A 28 12.421 9.700 0.866 1.00 0.00 C ATOM 481 OD1 ASP A 28 13.525 9.305 1.206 1.00 0.00 O ATOM 482 OD2 ASP A 28 12.045 10.855 0.981 1.00 0.00 O ATOM 0 H ASP A 28 10.231 5.937 0.275 1.00 0.00 H new ATOM 0 HA ASP A 28 12.844 7.121 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.523 8.713 -0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.426 8.957 0.515 1.00 0.00 H new ATOM 487 N ALA A 29 11.734 8.049 3.068 1.00 0.00 N ATOM 488 CA ALA A 29 11.343 8.016 4.471 1.00 0.00 C ATOM 489 C ALA A 29 9.833 8.173 4.609 1.00 0.00 C ATOM 490 O ALA A 29 9.197 7.470 5.397 1.00 0.00 O ATOM 491 CB ALA A 29 12.044 9.144 5.233 1.00 0.00 C ATOM 0 H ALA A 29 12.365 8.811 2.819 1.00 0.00 H new ATOM 0 HA ALA A 29 11.638 7.054 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.747 9.114 6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.124 9.018 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.760 10.105 4.803 1.00 0.00 H new ATOM 497 N THR A 30 9.261 9.093 3.839 1.00 0.00 N ATOM 498 CA THR A 30 7.821 9.325 3.888 1.00 0.00 C ATOM 499 C THR A 30 7.062 8.079 3.442 1.00 0.00 C ATOM 500 O THR A 30 6.119 7.647 4.103 1.00 0.00 O ATOM 501 CB THR A 30 7.454 10.502 2.980 1.00 0.00 C ATOM 502 OG1 THR A 30 8.078 11.684 3.463 1.00 0.00 O ATOM 503 CG2 THR A 30 5.935 10.689 2.968 1.00 0.00 C ATOM 0 H THR A 30 9.766 9.685 3.180 1.00 0.00 H new ATOM 0 HA THR A 30 7.542 9.557 4.916 1.00 0.00 H new ATOM 0 HB THR A 30 7.798 10.299 1.966 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.845 12.438 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.677 11.527 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.460 9.782 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.585 10.891 3.980 1.00 0.00 H new ATOM 511 N PHE A 31 7.486 7.506 2.324 1.00 0.00 N ATOM 512 CA PHE A 31 6.844 6.306 1.800 1.00 0.00 C ATOM 513 C PHE A 31 7.045 5.135 2.754 1.00 0.00 C ATOM 514 O PHE A 31 6.181 4.269 2.880 1.00 0.00 O ATOM 515 CB PHE A 31 7.415 5.957 0.426 1.00 0.00 C ATOM 516 CG PHE A 31 6.948 6.973 -0.591 1.00 0.00 C ATOM 517 CD1 PHE A 31 5.604 7.001 -0.982 1.00 0.00 C ATOM 518 CD2 PHE A 31 7.854 7.890 -1.141 1.00 0.00 C ATOM 519 CE1 PHE A 31 5.166 7.942 -1.921 1.00 0.00 C ATOM 520 CE2 PHE A 31 7.416 8.830 -2.080 1.00 0.00 C ATOM 521 CZ PHE A 31 6.073 8.858 -2.471 1.00 0.00 C ATOM 0 H PHE A 31 8.267 7.849 1.765 1.00 0.00 H new ATOM 0 HA PHE A 31 5.776 6.502 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.504 5.943 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.094 4.958 0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.904 6.296 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.891 7.871 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.129 7.962 -2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.116 9.535 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.736 9.584 -3.196 1.00 0.00 H new ATOM 531 N ASP A 32 8.195 5.114 3.421 1.00 0.00 N ATOM 532 CA ASP A 32 8.497 4.044 4.364 1.00 0.00 C ATOM 533 C ASP A 32 7.544 4.085 5.554 1.00 0.00 C ATOM 534 O ASP A 32 6.931 3.076 5.906 1.00 0.00 O ATOM 535 CB ASP A 32 9.940 4.180 4.861 1.00 0.00 C ATOM 536 CG ASP A 32 10.248 3.080 5.869 1.00 0.00 C ATOM 537 OD1 ASP A 32 9.400 2.226 6.065 1.00 0.00 O ATOM 538 OD2 ASP A 32 11.330 3.109 6.435 1.00 0.00 O ATOM 0 H ASP A 32 8.926 5.819 3.327 1.00 0.00 H new ATOM 0 HA ASP A 32 8.374 3.091 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.631 4.118 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.085 5.158 5.321 1.00 0.00 H new ATOM 543 N SER A 33 7.424 5.255 6.172 1.00 0.00 N ATOM 544 CA SER A 33 6.543 5.416 7.323 1.00 0.00 C ATOM 545 C SER A 33 5.090 5.180 6.928 1.00 0.00 C ATOM 546 O SER A 33 4.349 4.493 7.628 1.00 0.00 O ATOM 547 CB SER A 33 6.693 6.821 7.907 1.00 0.00 C ATOM 548 OG SER A 33 5.612 7.080 8.793 1.00 0.00 O ATOM 0 H SER A 33 7.923 6.101 5.897 1.00 0.00 H new ATOM 0 HA SER A 33 6.826 4.679 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.641 6.907 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.707 7.560 7.106 1.00 0.00 H new ATOM 0 HG SER A 33 5.706 7.980 9.170 1.00 0.00 H new ATOM 554 N VAL A 34 4.688 5.758 5.800 1.00 0.00 N ATOM 555 CA VAL A 34 3.318 5.607 5.326 1.00 0.00 C ATOM 556 C VAL A 34 3.017 4.147 5.021 1.00 0.00 C ATOM 557 O VAL A 34 1.983 3.616 5.424 1.00 0.00 O ATOM 558 CB VAL A 34 3.111 6.447 4.061 1.00 0.00 C ATOM 559 CG1 VAL A 34 1.725 6.166 3.473 1.00 0.00 C ATOM 560 CG2 VAL A 34 3.228 7.938 4.410 1.00 0.00 C ATOM 0 H VAL A 34 5.285 6.330 5.203 1.00 0.00 H new ATOM 0 HA VAL A 34 2.641 5.950 6.108 1.00 0.00 H new ATOM 0 HB VAL A 34 3.873 6.184 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.583 6.766 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.644 5.109 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.960 6.423 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.081 8.535 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.469 8.200 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.217 8.139 4.821 1.00 0.00 H new ATOM 570 N LEU A 35 3.925 3.504 4.306 1.00 0.00 N ATOM 571 CA LEU A 35 3.742 2.107 3.953 1.00 0.00 C ATOM 572 C LEU A 35 3.723 1.235 5.200 1.00 0.00 C ATOM 573 O LEU A 35 2.898 0.332 5.325 1.00 0.00 O ATOM 574 CB LEU A 35 4.865 1.654 3.020 1.00 0.00 C ATOM 575 CG LEU A 35 4.646 0.175 2.596 1.00 0.00 C ATOM 576 CD1 LEU A 35 4.961 0.006 1.106 1.00 0.00 C ATOM 577 CD2 LEU A 35 5.564 -0.753 3.409 1.00 0.00 C ATOM 0 H LEU A 35 4.789 3.923 3.961 1.00 0.00 H new ATOM 0 HA LEU A 35 2.785 2.003 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.894 2.293 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.828 1.758 3.520 1.00 0.00 H new ATOM 0 HG LEU A 35 3.605 -0.088 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.805 -1.033 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.304 0.648 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.999 0.283 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.401 -1.786 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.605 -0.482 3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.338 -0.650 4.470 1.00 0.00 H new ATOM 589 N SER A 36 4.641 1.509 6.122 1.00 0.00 N ATOM 590 CA SER A 36 4.720 0.739 7.357 1.00 0.00 C ATOM 591 C SER A 36 3.438 0.892 8.167 1.00 0.00 C ATOM 592 O SER A 36 2.886 -0.089 8.665 1.00 0.00 O ATOM 593 CB SER A 36 5.911 1.215 8.188 1.00 0.00 C ATOM 594 OG SER A 36 5.788 0.715 9.513 1.00 0.00 O ATOM 0 H SER A 36 5.335 2.252 6.038 1.00 0.00 H new ATOM 0 HA SER A 36 4.850 -0.313 7.102 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.843 0.868 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.949 2.304 8.200 1.00 0.00 H new ATOM 0 HG SER A 36 6.551 1.017 10.049 1.00 0.00 H new ATOM 600 N LYS A 37 2.969 2.129 8.292 1.00 0.00 N ATOM 601 CA LYS A 37 1.749 2.397 9.042 1.00 0.00 C ATOM 602 C LYS A 37 0.544 1.758 8.359 1.00 0.00 C ATOM 603 O LYS A 37 -0.299 1.145 9.015 1.00 0.00 O ATOM 604 CB LYS A 37 1.529 3.905 9.152 1.00 0.00 C ATOM 605 CG LYS A 37 2.563 4.503 10.109 1.00 0.00 C ATOM 606 CD LYS A 37 2.477 6.033 10.067 1.00 0.00 C ATOM 607 CE LYS A 37 1.068 6.490 10.460 1.00 0.00 C ATOM 608 NZ LYS A 37 0.563 5.641 11.575 1.00 0.00 N ATOM 0 H LYS A 37 3.411 2.955 7.887 1.00 0.00 H new ATOM 0 HA LYS A 37 1.857 1.967 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.616 4.369 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.521 4.111 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.384 4.146 11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.565 4.177 9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.211 6.465 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.719 6.392 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.085 7.536 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.399 6.419 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.152 6.168 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.136 4.776 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.352 5.386 12.202 1.00 0.00 H new ATOM 622 N ALA A 38 0.469 1.906 7.041 1.00 0.00 N ATOM 623 CA ALA A 38 -0.642 1.340 6.283 1.00 0.00 C ATOM 624 C ALA A 38 -0.556 -0.182 6.267 1.00 0.00 C ATOM 625 O ALA A 38 -1.506 -0.867 6.643 1.00 0.00 O ATOM 626 CB ALA A 38 -0.617 1.868 4.849 1.00 0.00 C ATOM 0 H ALA A 38 1.157 2.408 6.479 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.575 1.636 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.449 1.441 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.706 2.954 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.322 1.586 4.374 1.00 0.00 H new ATOM 632 N CYS A 39 0.591 -0.704 5.830 1.00 0.00 N ATOM 633 CA CYS A 39 0.804 -2.153 5.764 1.00 0.00 C ATOM 634 C CYS A 39 1.961 -2.565 6.664 1.00 0.00 C ATOM 635 O CYS A 39 3.076 -2.795 6.196 1.00 0.00 O ATOM 636 CB CYS A 39 1.104 -2.569 4.320 1.00 0.00 C ATOM 637 SG CYS A 39 -0.240 -2.015 3.244 1.00 0.00 S ATOM 0 H CYS A 39 1.386 -0.147 5.517 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.102 -2.652 6.107 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.049 -2.134 3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.212 -3.652 4.257 1.00 0.00 H new ATOM 0 HG CYS A 39 0.037 -2.320 2.011 1.00 0.00 H new ATOM 643 N SER A 40 1.685 -2.660 7.961 1.00 0.00 N ATOM 644 CA SER A 40 2.707 -3.052 8.922 1.00 0.00 C ATOM 645 C SER A 40 3.167 -4.480 8.658 1.00 0.00 C ATOM 646 O SER A 40 4.347 -4.794 8.789 1.00 0.00 O ATOM 647 CB SER A 40 2.158 -2.944 10.344 1.00 0.00 C ATOM 648 OG SER A 40 1.019 -3.783 10.474 1.00 0.00 O ATOM 0 H SER A 40 0.769 -2.472 8.367 1.00 0.00 H new ATOM 0 HA SER A 40 3.559 -2.381 8.813 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.923 -3.236 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.890 -1.911 10.565 1.00 0.00 H new ATOM 0 HG SER A 40 0.666 -3.717 11.386 1.00 0.00 H new ATOM 654 N GLU A 41 2.228 -5.341 8.285 1.00 0.00 N ATOM 655 CA GLU A 41 2.553 -6.733 8.006 1.00 0.00 C ATOM 656 C GLU A 41 1.347 -7.459 7.428 1.00 0.00 C ATOM 657 O GLU A 41 0.203 -7.117 7.729 1.00 0.00 O ATOM 658 CB GLU A 41 3.005 -7.435 9.286 1.00 0.00 C ATOM 659 CG GLU A 41 1.894 -7.348 10.336 1.00 0.00 C ATOM 660 CD GLU A 41 2.358 -7.992 11.639 1.00 0.00 C ATOM 661 OE1 GLU A 41 3.194 -7.401 12.303 1.00 0.00 O ATOM 662 OE2 GLU A 41 1.871 -9.065 11.952 1.00 0.00 O ATOM 0 H GLU A 41 1.243 -5.102 8.170 1.00 0.00 H new ATOM 0 HA GLU A 41 3.362 -6.755 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.242 -8.478 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.916 -6.971 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.628 -6.306 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.997 -7.850 9.972 1.00 0.00 H new ATOM 669 N PHE A 42 1.606 -8.467 6.596 1.00 0.00 N ATOM 670 CA PHE A 42 0.522 -9.239 5.974 1.00 0.00 C ATOM 671 C PHE A 42 0.890 -10.717 5.888 1.00 0.00 C ATOM 672 O PHE A 42 2.063 -11.080 5.903 1.00 0.00 O ATOM 673 CB PHE A 42 0.222 -8.688 4.566 1.00 0.00 C ATOM 674 CG PHE A 42 -0.805 -7.581 4.651 1.00 0.00 C ATOM 675 CD1 PHE A 42 -2.160 -7.903 4.782 1.00 0.00 C ATOM 676 CD2 PHE A 42 -0.404 -6.242 4.599 1.00 0.00 C ATOM 677 CE1 PHE A 42 -3.115 -6.886 4.862 1.00 0.00 C ATOM 678 CE2 PHE A 42 -1.361 -5.224 4.679 1.00 0.00 C ATOM 679 CZ PHE A 42 -2.717 -5.547 4.810 1.00 0.00 C ATOM 0 H PHE A 42 2.545 -8.769 6.337 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.369 -9.142 6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.138 -8.311 4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.146 -9.488 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.468 -8.937 4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.642 -5.994 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.161 -7.135 4.964 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.054 -4.189 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.456 -4.761 4.871 1.00 0.00 H new ATOM 689 N GLU A 43 -0.130 -11.567 5.802 1.00 0.00 N ATOM 690 CA GLU A 43 0.097 -13.001 5.709 1.00 0.00 C ATOM 691 C GLU A 43 0.319 -13.400 4.255 1.00 0.00 C ATOM 692 O GLU A 43 -0.513 -13.116 3.390 1.00 0.00 O ATOM 693 CB GLU A 43 -1.104 -13.757 6.264 1.00 0.00 C ATOM 694 CG GLU A 43 -1.229 -13.481 7.762 1.00 0.00 C ATOM 695 CD GLU A 43 -2.460 -14.183 8.318 1.00 0.00 C ATOM 696 OE1 GLU A 43 -3.104 -14.896 7.565 1.00 0.00 O ATOM 697 OE2 GLU A 43 -2.744 -13.996 9.489 1.00 0.00 O ATOM 0 H GLU A 43 -1.111 -11.289 5.795 1.00 0.00 H new ATOM 0 HA GLU A 43 0.983 -13.254 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.013 -13.447 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.987 -14.826 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.336 -13.830 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.301 -12.408 7.938 1.00 0.00 H new ATOM 704 N VAL A 44 1.448 -14.057 3.988 1.00 0.00 N ATOM 705 CA VAL A 44 1.787 -14.495 2.634 1.00 0.00 C ATOM 706 C VAL A 44 2.055 -15.999 2.607 1.00 0.00 C ATOM 707 O VAL A 44 2.744 -16.543 3.484 1.00 0.00 O ATOM 708 CB VAL A 44 3.027 -13.741 2.138 1.00 0.00 C ATOM 709 CG1 VAL A 44 2.822 -12.236 2.329 1.00 0.00 C ATOM 710 CG2 VAL A 44 4.256 -14.195 2.929 1.00 0.00 C ATOM 0 H VAL A 44 2.144 -14.298 4.693 1.00 0.00 H new ATOM 0 HA VAL A 44 0.943 -14.278 1.979 1.00 0.00 H new ATOM 0 HB VAL A 44 3.180 -13.955 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.704 -11.701 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.950 -11.913 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.666 -12.021 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.136 -13.658 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.105 -13.985 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.404 -15.266 2.789 1.00 0.00 H new ATOM 720 N ASP A 45 1.501 -16.666 1.598 1.00 0.00 N ATOM 721 CA ASP A 45 1.677 -18.102 1.452 1.00 0.00 C ATOM 722 C ASP A 45 3.087 -18.411 0.959 1.00 0.00 C ATOM 723 O ASP A 45 3.820 -17.512 0.548 1.00 0.00 O ATOM 724 CB ASP A 45 0.653 -18.662 0.462 1.00 0.00 C ATOM 725 CG ASP A 45 -0.740 -18.642 1.083 1.00 0.00 C ATOM 726 OD1 ASP A 45 -0.827 -18.449 2.284 1.00 0.00 O ATOM 727 OD2 ASP A 45 -1.697 -18.823 0.350 1.00 0.00 O ATOM 0 H ASP A 45 0.929 -16.234 0.873 1.00 0.00 H new ATOM 0 HA ASP A 45 1.527 -18.571 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.660 -18.071 -0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.922 -19.681 0.186 1.00 0.00 H new ATOM 732 N LYS A 46 3.458 -19.686 1.007 1.00 0.00 N ATOM 733 CA LYS A 46 4.779 -20.107 0.565 1.00 0.00 C ATOM 734 C LYS A 46 4.865 -20.069 -0.952 1.00 0.00 C ATOM 735 O LYS A 46 3.844 -20.055 -1.641 1.00 0.00 O ATOM 736 CB LYS A 46 5.073 -21.523 1.063 1.00 0.00 C ATOM 737 CG LYS A 46 5.209 -21.512 2.586 1.00 0.00 C ATOM 738 CD LYS A 46 5.494 -22.930 3.083 1.00 0.00 C ATOM 739 CE LYS A 46 5.615 -22.923 4.609 1.00 0.00 C ATOM 740 NZ LYS A 46 6.245 -24.194 5.064 1.00 0.00 N ATOM 0 H LYS A 46 2.864 -20.442 1.347 1.00 0.00 H new ATOM 0 HA LYS A 46 5.518 -19.421 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.271 -22.198 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.991 -21.896 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.015 -20.842 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.294 -21.133 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.694 -23.602 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.415 -23.305 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.214 -22.072 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.630 -22.811 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.327 -24.189 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.657 -24.999 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.191 -24.283 4.642 1.00 0.00 H new ATOM 754 N ASP A 47 6.090 -20.050 -1.464 1.00 0.00 N ATOM 755 CA ASP A 47 6.312 -20.015 -2.905 1.00 0.00 C ATOM 756 C ASP A 47 5.619 -18.809 -3.527 1.00 0.00 C ATOM 757 O ASP A 47 5.140 -18.869 -4.660 1.00 0.00 O ATOM 758 CB ASP A 47 5.786 -21.301 -3.552 1.00 0.00 C ATOM 759 CG ASP A 47 6.681 -22.475 -3.175 1.00 0.00 C ATOM 760 OD1 ASP A 47 7.716 -22.240 -2.576 1.00 0.00 O ATOM 761 OD2 ASP A 47 6.319 -23.596 -3.494 1.00 0.00 O ATOM 0 H ASP A 47 6.943 -20.058 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 47 7.384 -19.934 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.764 -21.492 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.757 -21.188 -4.636 1.00 0.00 H new ATOM 766 N VAL A 48 5.570 -17.711 -2.779 1.00 0.00 N ATOM 767 CA VAL A 48 4.937 -16.493 -3.267 1.00 0.00 C ATOM 768 C VAL A 48 5.835 -15.805 -4.290 1.00 0.00 C ATOM 769 O VAL A 48 7.053 -15.757 -4.130 1.00 0.00 O ATOM 770 CB VAL A 48 4.648 -15.544 -2.099 1.00 0.00 C ATOM 771 CG1 VAL A 48 5.896 -15.422 -1.218 1.00 0.00 C ATOM 772 CG2 VAL A 48 4.257 -14.157 -2.634 1.00 0.00 C ATOM 0 H VAL A 48 5.959 -17.640 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 48 3.995 -16.757 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 48 3.823 -15.944 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.690 -14.747 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.165 -16.404 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.722 -15.028 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.053 -13.489 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.075 -13.753 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.365 -14.244 -3.254 1.00 0.00 H new ATOM 782 N THR A 49 5.222 -15.269 -5.338 1.00 0.00 N ATOM 783 CA THR A 49 5.974 -14.579 -6.378 1.00 0.00 C ATOM 784 C THR A 49 6.094 -13.097 -6.063 1.00 0.00 C ATOM 785 O THR A 49 7.175 -12.631 -5.722 1.00 0.00 O ATOM 786 CB THR A 49 5.289 -14.752 -7.726 1.00 0.00 C ATOM 787 OG1 THR A 49 3.903 -14.461 -7.594 1.00 0.00 O ATOM 788 CG2 THR A 49 5.473 -16.191 -8.207 1.00 0.00 C ATOM 0 H THR A 49 4.214 -15.298 -5.490 1.00 0.00 H new ATOM 0 HA THR A 49 6.972 -15.015 -6.418 1.00 0.00 H new ATOM 0 HB THR A 49 5.731 -14.070 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.462 -14.571 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.983 -16.317 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.536 -16.408 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.031 -16.876 -7.483 1.00 0.00 H new ATOM 796 N LEU A 50 4.978 -12.373 -6.183 1.00 0.00 N ATOM 797 CA LEU A 50 4.958 -10.934 -5.915 1.00 0.00 C ATOM 798 C LEU A 50 3.613 -10.326 -6.313 1.00 0.00 C ATOM 799 O LEU A 50 3.216 -9.282 -5.795 1.00 0.00 O ATOM 800 CB LEU A 50 6.064 -10.228 -6.708 1.00 0.00 C ATOM 801 CG LEU A 50 6.020 -10.674 -8.203 1.00 0.00 C ATOM 802 CD1 LEU A 50 5.724 -9.471 -9.099 1.00 0.00 C ATOM 803 CD2 LEU A 50 7.369 -11.281 -8.619 1.00 0.00 C ATOM 0 H LEU A 50 4.077 -12.760 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 50 5.119 -10.795 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.939 -9.147 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.038 -10.464 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 50 5.234 -11.421 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.695 -9.791 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.761 -9.041 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.505 -8.721 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.323 -11.587 -9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.157 -10.538 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.585 -12.149 -7.996 1.00 0.00 H new ATOM 815 N ASP A 51 2.920 -10.979 -7.242 1.00 0.00 N ATOM 816 CA ASP A 51 1.628 -10.488 -7.705 1.00 0.00 C ATOM 817 C ASP A 51 0.672 -10.312 -6.529 1.00 0.00 C ATOM 818 O ASP A 51 -0.022 -9.301 -6.424 1.00 0.00 O ATOM 819 CB ASP A 51 1.023 -11.474 -8.708 1.00 0.00 C ATOM 820 CG ASP A 51 0.981 -12.874 -8.099 1.00 0.00 C ATOM 821 OD1 ASP A 51 1.632 -13.081 -7.090 1.00 0.00 O ATOM 822 OD2 ASP A 51 0.296 -13.719 -8.654 1.00 0.00 O ATOM 0 H ASP A 51 3.230 -11.844 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 51 1.779 -9.523 -8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.017 -11.157 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.614 -11.484 -9.624 1.00 0.00 H new ATOM 827 N GLU A 52 0.646 -11.300 -5.640 1.00 0.00 N ATOM 828 CA GLU A 52 -0.227 -11.239 -4.474 1.00 0.00 C ATOM 829 C GLU A 52 0.185 -10.091 -3.561 1.00 0.00 C ATOM 830 O GLU A 52 -0.660 -9.373 -3.031 1.00 0.00 O ATOM 831 CB GLU A 52 -0.161 -12.560 -3.703 1.00 0.00 C ATOM 832 CG GLU A 52 -1.152 -12.523 -2.537 1.00 0.00 C ATOM 833 CD GLU A 52 -1.141 -13.858 -1.803 1.00 0.00 C ATOM 834 OE1 GLU A 52 -0.634 -14.815 -2.362 1.00 0.00 O ATOM 835 OE2 GLU A 52 -1.640 -13.904 -0.690 1.00 0.00 O ATOM 0 H GLU A 52 1.214 -12.145 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.249 -11.070 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.395 -13.392 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.850 -12.725 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.889 -11.719 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.155 -12.310 -2.908 1.00 0.00 H new ATOM 842 N LEU A 53 1.490 -9.919 -3.386 1.00 0.00 N ATOM 843 CA LEU A 53 1.997 -8.849 -2.539 1.00 0.00 C ATOM 844 C LEU A 53 1.610 -7.491 -3.100 1.00 0.00 C ATOM 845 O LEU A 53 1.203 -6.600 -2.364 1.00 0.00 O ATOM 846 CB LEU A 53 3.528 -8.949 -2.434 1.00 0.00 C ATOM 847 CG LEU A 53 3.911 -9.958 -1.344 1.00 0.00 C ATOM 848 CD1 LEU A 53 5.403 -10.275 -1.457 1.00 0.00 C ATOM 849 CD2 LEU A 53 3.600 -9.384 0.055 1.00 0.00 C ATOM 0 H LEU A 53 2.209 -10.501 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 53 1.556 -8.954 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.948 -9.258 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.950 -7.971 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 53 3.329 -10.870 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.682 -10.992 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.611 -10.700 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.980 -9.359 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.878 -10.112 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.168 -8.466 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.534 -9.168 0.131 1.00 0.00 H new ATOM 861 N LEU A 54 1.749 -7.332 -4.399 1.00 0.00 N ATOM 862 CA LEU A 54 1.420 -6.063 -5.023 1.00 0.00 C ATOM 863 C LEU A 54 -0.064 -5.754 -4.873 1.00 0.00 C ATOM 864 O LEU A 54 -0.451 -4.622 -4.578 1.00 0.00 O ATOM 865 CB LEU A 54 1.789 -6.108 -6.504 1.00 0.00 C ATOM 866 CG LEU A 54 3.315 -6.167 -6.654 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.670 -6.449 -8.119 1.00 0.00 C ATOM 868 CD2 LEU A 54 3.959 -4.835 -6.201 1.00 0.00 C ATOM 0 H LEU A 54 2.083 -8.053 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 54 1.988 -5.276 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.333 -6.978 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.397 -5.228 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 54 3.703 -6.967 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.754 -6.492 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.237 -7.402 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.272 -5.654 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.041 -4.897 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.576 -4.019 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.714 -4.650 -5.155 1.00 0.00 H new ATOM 880 N ASP A 55 -0.892 -6.770 -5.088 1.00 0.00 N ATOM 881 CA ASP A 55 -2.334 -6.597 -4.985 1.00 0.00 C ATOM 882 C ASP A 55 -2.751 -6.331 -3.544 1.00 0.00 C ATOM 883 O ASP A 55 -3.590 -5.470 -3.281 1.00 0.00 O ATOM 884 CB ASP A 55 -3.040 -7.854 -5.492 1.00 0.00 C ATOM 885 CG ASP A 55 -4.527 -7.574 -5.689 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.887 -6.411 -5.766 1.00 0.00 O ATOM 887 OD2 ASP A 55 -5.286 -8.529 -5.763 1.00 0.00 O ATOM 0 H ASP A 55 -0.592 -7.714 -5.333 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.619 -5.739 -5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.595 -8.177 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.906 -8.668 -4.780 1.00 0.00 H new ATOM 892 N VAL A 56 -2.167 -7.080 -2.614 1.00 0.00 N ATOM 893 CA VAL A 56 -2.497 -6.918 -1.203 1.00 0.00 C ATOM 894 C VAL A 56 -1.929 -5.614 -0.652 1.00 0.00 C ATOM 895 O VAL A 56 -2.632 -4.847 -0.004 1.00 0.00 O ATOM 896 CB VAL A 56 -1.951 -8.100 -0.400 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.133 -7.839 1.099 1.00 0.00 C ATOM 898 CG2 VAL A 56 -2.704 -9.375 -0.792 1.00 0.00 C ATOM 0 H VAL A 56 -1.470 -7.798 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.583 -6.885 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.890 -8.221 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.742 -8.684 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.594 -6.934 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.193 -7.713 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.315 -10.218 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.766 -9.251 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.568 -9.565 -1.857 1.00 0.00 H new ATOM 908 N VAL A 57 -0.646 -5.393 -0.891 1.00 0.00 N ATOM 909 CA VAL A 57 0.008 -4.200 -0.383 1.00 0.00 C ATOM 910 C VAL A 57 -0.710 -2.961 -0.894 1.00 0.00 C ATOM 911 O VAL A 57 -1.025 -2.055 -0.123 1.00 0.00 O ATOM 912 CB VAL A 57 1.466 -4.176 -0.859 1.00 0.00 C ATOM 913 CG1 VAL A 57 2.122 -2.852 -0.450 1.00 0.00 C ATOM 914 CG2 VAL A 57 2.241 -5.360 -0.248 1.00 0.00 C ATOM 0 H VAL A 57 -0.043 -6.017 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.023 -4.210 0.707 1.00 0.00 H new ATOM 0 HB VAL A 57 1.488 -4.265 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.158 -2.839 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.580 -2.022 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.095 -2.753 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.275 -5.334 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.218 -5.287 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.778 -6.297 -0.559 1.00 0.00 H new ATOM 924 N LEU A 58 -0.976 -2.921 -2.191 1.00 0.00 N ATOM 925 CA LEU A 58 -1.664 -1.774 -2.758 1.00 0.00 C ATOM 926 C LEU A 58 -3.082 -1.670 -2.204 1.00 0.00 C ATOM 927 O LEU A 58 -3.472 -0.641 -1.659 1.00 0.00 O ATOM 928 CB LEU A 58 -1.716 -1.909 -4.282 1.00 0.00 C ATOM 929 CG LEU A 58 -2.359 -0.659 -4.903 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.504 0.586 -4.600 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.479 -0.854 -6.421 1.00 0.00 C ATOM 0 H LEU A 58 -0.732 -3.653 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.118 -0.870 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.709 -2.044 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.287 -2.796 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.350 -0.513 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.970 1.465 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.429 0.722 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.506 0.453 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.935 0.030 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.488 -1.005 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.100 -1.726 -6.628 1.00 0.00 H new ATOM 943 N ASP A 59 -3.849 -2.740 -2.358 1.00 0.00 N ATOM 944 CA ASP A 59 -5.225 -2.754 -1.885 1.00 0.00 C ATOM 945 C ASP A 59 -5.287 -2.319 -0.428 1.00 0.00 C ATOM 946 O ASP A 59 -6.171 -1.560 -0.030 1.00 0.00 O ATOM 947 CB ASP A 59 -5.818 -4.157 -2.029 1.00 0.00 C ATOM 948 CG ASP A 59 -6.048 -4.481 -3.502 1.00 0.00 C ATOM 949 OD1 ASP A 59 -5.997 -3.567 -4.308 1.00 0.00 O ATOM 950 OD2 ASP A 59 -6.273 -5.642 -3.803 1.00 0.00 O ATOM 0 H ASP A 59 -3.544 -3.605 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.805 -2.057 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.144 -4.892 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.760 -4.220 -1.484 1.00 0.00 H new ATOM 955 N ALA A 60 -4.341 -2.807 0.363 1.00 0.00 N ATOM 956 CA ALA A 60 -4.288 -2.465 1.779 1.00 0.00 C ATOM 957 C ALA A 60 -4.067 -0.967 1.961 1.00 0.00 C ATOM 958 O ALA A 60 -4.694 -0.339 2.813 1.00 0.00 O ATOM 959 CB ALA A 60 -3.153 -3.235 2.456 1.00 0.00 C ATOM 0 H ALA A 60 -3.603 -3.438 0.051 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.239 -2.738 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.118 -2.976 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.326 -4.306 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.205 -2.973 1.987 1.00 0.00 H new ATOM 965 N VAL A 61 -3.173 -0.399 1.158 1.00 0.00 N ATOM 966 CA VAL A 61 -2.884 1.028 1.247 1.00 0.00 C ATOM 967 C VAL A 61 -4.118 1.852 0.888 1.00 0.00 C ATOM 968 O VAL A 61 -4.452 2.820 1.571 1.00 0.00 O ATOM 969 CB VAL A 61 -1.728 1.386 0.304 1.00 0.00 C ATOM 970 CG1 VAL A 61 -1.585 2.911 0.212 1.00 0.00 C ATOM 971 CG2 VAL A 61 -0.421 0.781 0.836 1.00 0.00 C ATOM 0 H VAL A 61 -2.641 -0.899 0.445 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.599 1.259 2.273 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.938 0.983 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.763 3.160 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.510 3.341 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.381 3.318 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.398 1.037 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.214 1.179 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.519 -0.303 0.893 1.00 0.00 H new ATOM 981 N GLU A 62 -4.785 1.464 -0.191 1.00 0.00 N ATOM 982 CA GLU A 62 -5.973 2.180 -0.637 1.00 0.00 C ATOM 983 C GLU A 62 -7.110 2.006 0.362 1.00 0.00 C ATOM 984 O GLU A 62 -7.829 2.957 0.667 1.00 0.00 O ATOM 985 CB GLU A 62 -6.417 1.665 -2.006 1.00 0.00 C ATOM 986 CG GLU A 62 -5.270 1.815 -2.998 1.00 0.00 C ATOM 987 CD GLU A 62 -5.727 1.418 -4.398 1.00 0.00 C ATOM 988 OE1 GLU A 62 -5.603 0.252 -4.734 1.00 0.00 O ATOM 989 OE2 GLU A 62 -6.193 2.290 -5.116 1.00 0.00 O ATOM 0 H GLU A 62 -4.527 0.664 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.724 3.239 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.716 0.619 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.287 2.223 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.916 2.846 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.431 1.191 -2.691 1.00 0.00 H new ATOM 996 N SER A 63 -7.273 0.786 0.861 1.00 0.00 N ATOM 997 CA SER A 63 -8.336 0.506 1.816 1.00 0.00 C ATOM 998 C SER A 63 -8.159 1.337 3.082 1.00 0.00 C ATOM 999 O SER A 63 -9.072 2.050 3.500 1.00 0.00 O ATOM 1000 CB SER A 63 -8.311 -0.976 2.174 1.00 0.00 C ATOM 1001 OG SER A 63 -9.081 -1.190 3.352 1.00 0.00 O ATOM 0 H SER A 63 -6.690 -0.016 0.623 1.00 0.00 H new ATOM 0 HA SER A 63 -9.292 0.766 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.713 -1.567 1.351 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.284 -1.306 2.332 1.00 0.00 H new ATOM 0 HG SER A 63 -9.068 -2.142 3.583 1.00 0.00 H new ATOM 1007 N THR A 64 -6.982 1.239 3.694 1.00 0.00 N ATOM 1008 CA THR A 64 -6.710 1.985 4.915 1.00 0.00 C ATOM 1009 C THR A 64 -6.846 3.479 4.658 1.00 0.00 C ATOM 1010 O THR A 64 -7.462 4.201 5.444 1.00 0.00 O ATOM 1011 CB THR A 64 -5.294 1.677 5.408 1.00 0.00 C ATOM 1012 OG1 THR A 64 -4.362 1.965 4.376 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.195 0.199 5.788 1.00 0.00 C ATOM 0 H THR A 64 -6.210 0.657 3.368 1.00 0.00 H new ATOM 0 HA THR A 64 -7.431 1.687 5.676 1.00 0.00 H new ATOM 0 HB THR A 64 -5.071 2.291 6.281 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.333 1.217 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.186 -0.020 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.911 -0.022 6.580 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.417 -0.416 4.916 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.269 3.940 3.551 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.330 5.357 3.185 1.00 0.00 C ATOM 1023 C LEU A 65 -7.260 5.563 1.998 1.00 0.00 C ATOM 1024 O LEU A 65 -6.814 5.682 0.858 1.00 0.00 O ATOM 1025 CB LEU A 65 -4.931 5.857 2.829 1.00 0.00 C ATOM 1026 CG LEU A 65 -4.028 5.792 4.070 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -2.567 5.969 3.644 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -4.403 6.898 5.077 1.00 0.00 C ATOM 0 H LEU A 65 -5.754 3.356 2.892 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.716 5.919 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.510 5.249 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.983 6.881 2.458 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.164 4.823 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.924 5.923 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.291 5.174 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.445 6.935 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.751 6.833 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.284 7.874 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.439 6.770 5.389 1.00 0.00 H new ATOM 1040 N SER A 66 -8.554 5.616 2.282 1.00 0.00 N ATOM 1041 CA SER A 66 -9.552 5.824 1.242 1.00 0.00 C ATOM 1042 C SER A 66 -9.562 7.291 0.799 1.00 0.00 C ATOM 1043 O SER A 66 -9.585 7.583 -0.396 1.00 0.00 O ATOM 1044 CB SER A 66 -10.949 5.423 1.760 1.00 0.00 C ATOM 1045 OG SER A 66 -11.813 6.559 1.747 1.00 0.00 O ATOM 0 H SER A 66 -8.937 5.518 3.222 1.00 0.00 H new ATOM 0 HA SER A 66 -9.297 5.200 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.365 4.631 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.872 5.025 2.772 1.00 0.00 H new ATOM 0 HG SER A 66 -12.699 6.300 2.075 1.00 0.00 H new ATOM 1051 N PRO A 67 -9.563 8.205 1.740 1.00 0.00 N ATOM 1052 CA PRO A 67 -9.596 9.662 1.435 1.00 0.00 C ATOM 1053 C PRO A 67 -8.212 10.207 1.099 1.00 0.00 C ATOM 1054 O PRO A 67 -7.371 10.375 1.982 1.00 0.00 O ATOM 1055 CB PRO A 67 -10.142 10.282 2.730 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.744 9.337 3.832 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.527 7.954 3.194 1.00 0.00 C ATOM 0 HA PRO A 67 -10.203 9.892 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.724 11.275 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.225 10.396 2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.833 9.681 4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.520 9.290 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.574 7.522 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.305 7.252 3.495 1.00 0.00 H new ATOM 1065 N CYS A 68 -7.982 10.490 -0.182 1.00 0.00 N ATOM 1066 CA CYS A 68 -6.696 11.027 -0.628 1.00 0.00 C ATOM 1067 C CYS A 68 -6.916 12.216 -1.563 1.00 0.00 C ATOM 1068 O CYS A 68 -6.222 13.229 -1.471 1.00 0.00 O ATOM 1069 CB CYS A 68 -5.894 9.932 -1.352 1.00 0.00 C ATOM 1070 SG CYS A 68 -7.025 8.910 -2.326 1.00 0.00 S ATOM 0 H CYS A 68 -8.666 10.357 -0.927 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.134 11.364 0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.143 10.383 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.361 9.316 -0.628 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.959 8.440 -1.554 1.00 0.00 H new ATOM 1076 N LYS A 69 -7.888 12.082 -2.458 1.00 0.00 N ATOM 1077 CA LYS A 69 -8.196 13.147 -3.406 1.00 0.00 C ATOM 1078 C LYS A 69 -8.759 14.368 -2.682 1.00 0.00 C ATOM 1079 O LYS A 69 -8.704 15.487 -3.196 1.00 0.00 O ATOM 1080 CB LYS A 69 -9.203 12.658 -4.445 1.00 0.00 C ATOM 1081 CG LYS A 69 -9.373 13.721 -5.530 1.00 0.00 C ATOM 1082 CD LYS A 69 -10.303 13.192 -6.623 1.00 0.00 C ATOM 1083 CE LYS A 69 -10.450 14.242 -7.725 1.00 0.00 C ATOM 1084 NZ LYS A 69 -11.202 15.416 -7.196 1.00 0.00 N ATOM 0 H LYS A 69 -8.474 11.252 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.271 13.431 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.860 11.723 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.162 12.452 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.784 14.634 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.403 13.979 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.903 12.267 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.279 12.955 -6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.467 14.555 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.974 13.816 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.552 15.990 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.007 15.085 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.572 15.993 -6.603 1.00 0.00 H new ATOM 1098 N GLU A 70 -9.310 14.144 -1.494 1.00 0.00 N ATOM 1099 CA GLU A 70 -9.892 15.232 -0.717 1.00 0.00 C ATOM 1100 C GLU A 70 -8.802 16.130 -0.146 1.00 0.00 C ATOM 1101 O GLU A 70 -8.951 17.352 -0.108 1.00 0.00 O ATOM 1102 CB GLU A 70 -10.726 14.661 0.431 1.00 0.00 C ATOM 1103 CG GLU A 70 -11.956 13.949 -0.137 1.00 0.00 C ATOM 1104 CD GLU A 70 -12.759 13.313 0.992 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -12.146 12.736 1.875 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -13.974 13.413 0.958 1.00 0.00 O ATOM 0 H GLU A 70 -9.366 13.227 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.527 15.823 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.128 13.964 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.034 15.461 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.578 14.659 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.647 13.184 -0.850 1.00 0.00 H new ATOM 1113 N HIS A 71 -7.699 15.524 0.291 1.00 0.00 N ATOM 1114 CA HIS A 71 -6.585 16.286 0.852 1.00 0.00 C ATOM 1115 C HIS A 71 -5.518 16.508 -0.211 1.00 0.00 C ATOM 1116 O HIS A 71 -5.040 15.561 -0.829 1.00 0.00 O ATOM 1117 CB HIS A 71 -5.980 15.526 2.033 1.00 0.00 C ATOM 1118 CG HIS A 71 -6.994 15.433 3.139 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -7.855 14.354 3.263 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -7.300 16.276 4.178 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -8.629 14.573 4.341 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -8.333 15.732 4.936 1.00 0.00 N ATOM 0 H HIS A 71 -7.553 14.515 0.268 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.955 17.252 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.675 14.528 1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.084 16.036 2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.813 17.219 4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.396 13.895 4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.770 16.132 5.766 1.00 0.00 H new ATOM 1130 N ASP A 72 -5.161 17.769 -0.425 1.00 0.00 N ATOM 1131 CA ASP A 72 -4.158 18.114 -1.426 1.00 0.00 C ATOM 1132 C ASP A 72 -2.819 17.472 -1.069 1.00 0.00 C ATOM 1133 O ASP A 72 -2.059 17.069 -1.950 1.00 0.00 O ATOM 1134 CB ASP A 72 -4.001 19.641 -1.499 1.00 0.00 C ATOM 1135 CG ASP A 72 -5.100 20.261 -2.366 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -5.824 19.513 -3.004 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -5.208 21.477 -2.366 1.00 0.00 O ATOM 0 H ASP A 72 -5.549 18.567 0.079 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.482 17.739 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.042 20.063 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.023 19.891 -1.910 1.00 0.00 H new ATOM 1142 N VAL A 73 -2.537 17.384 0.223 1.00 0.00 N ATOM 1143 CA VAL A 73 -1.284 16.795 0.672 1.00 0.00 C ATOM 1144 C VAL A 73 -1.187 15.348 0.200 1.00 0.00 C ATOM 1145 O VAL A 73 -0.153 14.921 -0.317 1.00 0.00 O ATOM 1146 CB VAL A 73 -1.204 16.847 2.200 1.00 0.00 C ATOM 1147 CG1 VAL A 73 0.139 16.277 2.671 1.00 0.00 C ATOM 1148 CG2 VAL A 73 -1.330 18.299 2.665 1.00 0.00 C ATOM 0 H VAL A 73 -3.150 17.709 0.971 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.455 17.363 0.249 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.014 16.253 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.190 16.317 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.231 15.242 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.953 16.866 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.273 18.339 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.520 18.890 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.287 18.705 2.336 1.00 0.00 H new ATOM 1158 N ILE A 74 -2.272 14.597 0.374 1.00 0.00 N ATOM 1159 CA ILE A 74 -2.304 13.196 -0.046 1.00 0.00 C ATOM 1160 C ILE A 74 -2.761 13.092 -1.488 1.00 0.00 C ATOM 1161 O ILE A 74 -2.490 12.108 -2.152 1.00 0.00 O ATOM 1162 CB ILE A 74 -3.244 12.392 0.851 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -2.900 12.663 2.319 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -3.092 10.897 0.556 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -1.418 12.365 2.587 1.00 0.00 C ATOM 0 H ILE A 74 -3.136 14.931 0.800 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.297 12.788 0.041 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.274 12.691 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.118 13.702 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.524 12.045 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.765 10.329 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.339 10.705 -0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.063 10.591 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.191 12.563 3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.211 11.319 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.799 13.002 1.955 1.00 0.00 H new ATOM 1177 N GLY A 75 -3.466 14.114 -1.962 1.00 0.00 N ATOM 1178 CA GLY A 75 -3.965 14.117 -3.340 1.00 0.00 C ATOM 1179 C GLY A 75 -2.953 13.491 -4.301 1.00 0.00 C ATOM 1180 O GLY A 75 -3.264 12.539 -5.013 1.00 0.00 O ATOM 0 H GLY A 75 -3.705 14.945 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.905 13.567 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.178 15.140 -3.649 1.00 0.00 H new ATOM 1184 N THR A 76 -1.740 14.034 -4.308 1.00 0.00 N ATOM 1185 CA THR A 76 -0.688 13.524 -5.184 1.00 0.00 C ATOM 1186 C THR A 76 -0.619 12.000 -5.115 1.00 0.00 C ATOM 1187 O THR A 76 -0.083 11.351 -6.014 1.00 0.00 O ATOM 1188 CB THR A 76 0.661 14.114 -4.770 1.00 0.00 C ATOM 1189 OG1 THR A 76 0.879 13.875 -3.386 1.00 0.00 O ATOM 1190 CG2 THR A 76 0.667 15.620 -5.036 1.00 0.00 C ATOM 0 H THR A 76 -1.461 14.821 -3.722 1.00 0.00 H new ATOM 0 HA THR A 76 -0.920 13.818 -6.208 1.00 0.00 H new ATOM 0 HB THR A 76 1.455 13.642 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.744 14.252 -3.121 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.629 16.038 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.503 15.803 -6.098 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.127 16.094 -4.460 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.169 11.439 -4.044 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.169 9.991 -3.862 1.00 0.00 C ATOM 1200 C LYS A 77 -1.947 9.310 -4.982 1.00 0.00 C ATOM 1201 O LYS A 77 -1.493 8.320 -5.546 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.810 9.627 -2.517 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.695 8.128 -2.287 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.272 7.768 -0.917 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.139 6.262 -0.685 1.00 0.00 C ATOM 1206 NZ LYS A 77 -2.670 5.919 0.662 1.00 0.00 N ATOM 0 H LYS A 77 -1.619 11.961 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.135 9.648 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.317 10.168 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.858 9.927 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.229 7.589 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.651 7.821 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.746 8.315 -0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.320 8.064 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.686 5.715 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.094 5.962 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.896 5.565 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.085 6.767 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.400 5.184 0.570 1.00 0.00 H new ATOM 1220 N VAL A 78 -3.123 9.841 -5.292 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.952 9.265 -6.341 1.00 0.00 C ATOM 1222 C VAL A 78 -3.239 9.338 -7.689 1.00 0.00 C ATOM 1223 O VAL A 78 -3.233 8.373 -8.451 1.00 0.00 O ATOM 1224 CB VAL A 78 -5.281 10.017 -6.425 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -6.080 9.527 -7.638 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -6.091 9.767 -5.151 1.00 0.00 C ATOM 0 H VAL A 78 -3.521 10.662 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.139 8.219 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.082 11.084 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.026 10.066 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.507 9.706 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.276 8.460 -7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.038 10.303 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.284 8.699 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.528 10.120 -4.287 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.641 10.490 -7.977 1.00 0.00 N ATOM 1237 CA CYS A 79 -1.936 10.671 -9.240 1.00 0.00 C ATOM 1238 C CYS A 79 -0.770 9.693 -9.352 1.00 0.00 C ATOM 1239 O CYS A 79 -0.614 9.009 -10.363 1.00 0.00 O ATOM 1240 CB CYS A 79 -1.410 12.103 -9.336 1.00 0.00 C ATOM 1241 SG CYS A 79 -2.801 13.261 -9.364 1.00 0.00 S ATOM 0 H CYS A 79 -2.630 11.303 -7.361 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.633 10.479 -10.055 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.760 12.320 -8.488 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.808 12.220 -10.237 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.351 14.478 -9.443 1.00 0.00 H new ATOM 1247 N ALA A 80 0.048 9.633 -8.306 1.00 0.00 N ATOM 1248 CA ALA A 80 1.196 8.734 -8.303 1.00 0.00 C ATOM 1249 C ALA A 80 0.741 7.282 -8.316 1.00 0.00 C ATOM 1250 O ALA A 80 1.312 6.447 -9.017 1.00 0.00 O ATOM 1251 CB ALA A 80 2.053 8.990 -7.063 1.00 0.00 C ATOM 0 H ALA A 80 -0.061 10.190 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 80 1.785 8.925 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.909 8.315 -7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.404 10.022 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.457 8.816 -6.167 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.284 6.985 -7.535 1.00 0.00 N ATOM 1258 CA LEU A 81 -0.803 5.631 -7.463 1.00 0.00 C ATOM 1259 C LEU A 81 -1.355 5.192 -8.810 1.00 0.00 C ATOM 1260 O LEU A 81 -1.104 4.074 -9.258 1.00 0.00 O ATOM 1261 CB LEU A 81 -1.904 5.553 -6.404 1.00 0.00 C ATOM 1262 CG LEU A 81 -2.496 4.116 -6.348 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.708 3.690 -4.890 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -3.849 4.070 -7.086 1.00 0.00 C ATOM 0 H LEU A 81 -0.771 7.660 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 81 0.014 4.963 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.500 5.826 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.692 6.270 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.794 3.435 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.123 2.682 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.753 3.704 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.399 4.380 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.254 3.059 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.546 4.762 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.705 4.357 -8.128 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.110 6.075 -9.448 1.00 0.00 N ATOM 1277 CA LEU A 82 -2.693 5.759 -10.742 1.00 0.00 C ATOM 1278 C LEU A 82 -1.595 5.516 -11.769 1.00 0.00 C ATOM 1279 O LEU A 82 -1.670 4.576 -12.566 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.593 6.911 -11.210 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.147 6.616 -12.615 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.931 5.293 -12.605 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -5.071 7.762 -13.043 1.00 0.00 C ATOM 0 H LEU A 82 -2.331 7.006 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.293 4.854 -10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.416 7.048 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.027 7.842 -11.223 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.320 6.529 -13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.319 5.093 -13.604 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.270 4.481 -12.303 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.760 5.367 -11.901 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.466 7.558 -14.038 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.896 7.848 -12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.509 8.696 -13.060 1.00 0.00 H new ATOM 1295 N ASP A 83 -0.580 6.371 -11.752 1.00 0.00 N ATOM 1296 CA ASP A 83 0.524 6.245 -12.691 1.00 0.00 C ATOM 1297 C ASP A 83 1.246 4.921 -12.485 1.00 0.00 C ATOM 1298 O ASP A 83 1.568 4.225 -13.441 1.00 0.00 O ATOM 1299 CB ASP A 83 1.508 7.400 -12.499 1.00 0.00 C ATOM 1300 CG ASP A 83 2.677 7.257 -13.468 1.00 0.00 C ATOM 1301 OD1 ASP A 83 2.436 7.265 -14.664 1.00 0.00 O ATOM 1302 OD2 ASP A 83 3.798 7.140 -12.999 1.00 0.00 O ATOM 0 H ASP A 83 -0.500 7.153 -11.103 1.00 0.00 H new ATOM 0 HA ASP A 83 0.123 6.276 -13.704 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.002 8.351 -12.665 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.875 7.409 -11.473 1.00 0.00 H new ATOM 1307 N ARG A 84 1.493 4.575 -11.231 1.00 0.00 N ATOM 1308 CA ARG A 84 2.175 3.327 -10.917 1.00 0.00 C ATOM 1309 C ARG A 84 1.312 2.131 -11.289 1.00 0.00 C ATOM 1310 O ARG A 84 1.811 1.100 -11.735 1.00 0.00 O ATOM 1311 CB ARG A 84 2.510 3.267 -9.430 1.00 0.00 C ATOM 1312 CG ARG A 84 3.622 4.271 -9.119 1.00 0.00 C ATOM 1313 CD ARG A 84 3.935 4.248 -7.624 1.00 0.00 C ATOM 1314 NE ARG A 84 2.826 4.815 -6.867 1.00 0.00 N ATOM 1315 CZ ARG A 84 2.887 4.933 -5.544 1.00 0.00 C ATOM 1316 NH1 ARG A 84 3.953 4.538 -4.903 1.00 0.00 N ATOM 1317 NH2 ARG A 84 1.881 5.443 -4.887 1.00 0.00 N ATOM 0 H ARG A 84 1.234 5.135 -10.419 1.00 0.00 H new ATOM 0 HA ARG A 84 3.096 3.292 -11.498 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.624 3.494 -8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.827 2.260 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.517 4.026 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.315 5.273 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.120 3.224 -7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.846 4.814 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 84 1.989 5.126 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.739 4.139 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.001 4.628 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.048 5.751 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.928 5.533 -3.872 1.00 0.00 H new ATOM 1331 N LEU A 85 0.010 2.268 -11.084 1.00 0.00 N ATOM 1332 CA LEU A 85 -0.907 1.185 -11.388 1.00 0.00 C ATOM 1333 C LEU A 85 -0.906 0.857 -12.874 1.00 0.00 C ATOM 1334 O LEU A 85 -0.846 -0.311 -13.259 1.00 0.00 O ATOM 1335 CB LEU A 85 -2.320 1.573 -10.958 1.00 0.00 C ATOM 1336 CG LEU A 85 -3.305 0.404 -11.238 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -4.277 0.243 -10.064 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.116 0.679 -12.516 1.00 0.00 C ATOM 0 H LEU A 85 -0.430 3.110 -10.712 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.577 0.301 -10.841 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.330 1.821 -9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.640 2.465 -11.496 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.722 -0.508 -11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.963 -0.579 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.716 0.028 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.844 1.165 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.801 -0.149 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.685 1.601 -12.394 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.437 0.781 -13.363 1.00 0.00 H new ATOM 1350 N ALA A 86 -0.980 1.892 -13.715 1.00 0.00 N ATOM 1351 CA ALA A 86 -0.996 1.697 -15.167 1.00 0.00 C ATOM 1352 C ALA A 86 0.288 2.205 -15.812 1.00 0.00 C ATOM 1353 O ALA A 86 0.919 1.503 -16.600 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.175 2.459 -15.763 1.00 0.00 C ATOM 0 H ALA A 86 -1.029 2.867 -13.418 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.085 0.628 -15.363 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.191 2.317 -16.844 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.104 2.085 -15.334 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.073 3.521 -15.538 1.00 0.00 H new ATOM 1360 N GLY A 87 0.668 3.432 -15.477 1.00 0.00 N ATOM 1361 CA GLY A 87 1.873 4.028 -16.034 1.00 0.00 C ATOM 1362 C GLY A 87 3.128 3.342 -15.506 1.00 0.00 C ATOM 1363 O GLY A 87 3.558 2.316 -16.031 1.00 0.00 O ATOM 0 H GLY A 87 0.161 4.030 -14.825 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.847 3.956 -17.121 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.904 5.089 -15.785 1.00 0.00 H new ATOM 1367 N ASP A 88 3.709 3.922 -14.465 1.00 0.00 N ATOM 1368 CA ASP A 88 4.922 3.369 -13.869 1.00 0.00 C ATOM 1369 C ASP A 88 4.619 2.047 -13.170 1.00 0.00 C ATOM 1370 O ASP A 88 3.516 1.516 -13.287 1.00 0.00 O ATOM 1371 CB ASP A 88 5.520 4.360 -12.870 1.00 0.00 C ATOM 1372 CG ASP A 88 6.150 5.538 -13.607 1.00 0.00 C ATOM 1373 OD1 ASP A 88 6.343 5.428 -14.806 1.00 0.00 O ATOM 1374 OD2 ASP A 88 6.433 6.533 -12.961 1.00 0.00 O ATOM 0 H ASP A 88 3.364 4.771 -14.016 1.00 0.00 H new ATOM 0 HA ASP A 88 5.644 3.187 -14.665 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.744 4.718 -12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.271 3.861 -12.258 1.00 0.00 H new ATOM 1379 N TYR A 89 5.605 1.522 -12.449 1.00 0.00 N ATOM 1380 CA TYR A 89 5.441 0.272 -11.738 1.00 0.00 C ATOM 1381 C TYR A 89 6.770 -0.172 -11.133 1.00 0.00 C ATOM 1382 O TYR A 89 7.808 0.451 -11.353 1.00 0.00 O ATOM 1383 CB TYR A 89 4.916 -0.802 -12.695 1.00 0.00 C ATOM 1384 CG TYR A 89 5.499 -0.582 -14.070 1.00 0.00 C ATOM 1385 CD1 TYR A 89 6.875 -0.728 -14.277 1.00 0.00 C ATOM 1386 CD2 TYR A 89 4.666 -0.222 -15.138 1.00 0.00 C ATOM 1387 CE1 TYR A 89 7.416 -0.517 -15.545 1.00 0.00 C ATOM 1388 CE2 TYR A 89 5.210 -0.013 -16.410 1.00 0.00 C ATOM 1389 CZ TYR A 89 6.585 -0.160 -16.615 1.00 0.00 C ATOM 1390 OH TYR A 89 7.120 0.049 -17.868 1.00 0.00 O ATOM 0 H TYR A 89 6.526 1.949 -12.346 1.00 0.00 H new ATOM 0 HA TYR A 89 4.722 0.416 -10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.185 -1.793 -12.329 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.828 -0.763 -12.740 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.518 -1.004 -13.455 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.604 -0.106 -14.979 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.479 -0.629 -15.703 1.00 0.00 H new ATOM 0 HE2 TYR A 89 4.568 0.262 -17.234 1.00 0.00 H new ATOM 0 HH TYR A 89 6.405 0.288 -18.493 1.00 0.00 H new ATOM 1400 N VAL A 90 6.725 -1.256 -10.369 1.00 0.00 N ATOM 1401 CA VAL A 90 7.924 -1.793 -9.724 1.00 0.00 C ATOM 1402 C VAL A 90 7.968 -3.311 -9.864 1.00 0.00 C ATOM 1403 O VAL A 90 6.950 -3.987 -9.714 1.00 0.00 O ATOM 1404 CB VAL A 90 7.943 -1.409 -8.242 1.00 0.00 C ATOM 1405 CG1 VAL A 90 9.082 -2.146 -7.532 1.00 0.00 C ATOM 1406 CG2 VAL A 90 8.159 0.100 -8.120 1.00 0.00 C ATOM 0 H VAL A 90 5.873 -1.783 -10.179 1.00 0.00 H new ATOM 0 HA VAL A 90 8.800 -1.368 -10.214 1.00 0.00 H new ATOM 0 HB VAL A 90 6.995 -1.686 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.092 -1.870 -6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.933 -3.222 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 90 10.033 -1.871 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.174 0.381 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.109 0.370 -8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.348 0.626 -8.625 1.00 0.00 H new ATOM 1416 N TYR A 91 9.156 -3.843 -10.151 1.00 0.00 N ATOM 1417 CA TYR A 91 9.325 -5.286 -10.307 1.00 0.00 C ATOM 1418 C TYR A 91 10.129 -5.842 -9.146 1.00 0.00 C ATOM 1419 O TYR A 91 10.952 -5.140 -8.556 1.00 0.00 O ATOM 1420 CB TYR A 91 10.055 -5.593 -11.609 1.00 0.00 C ATOM 1421 CG TYR A 91 9.313 -4.951 -12.756 1.00 0.00 C ATOM 1422 CD1 TYR A 91 8.029 -5.391 -13.097 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.907 -3.908 -13.475 1.00 0.00 C ATOM 1424 CE1 TYR A 91 7.342 -4.789 -14.157 1.00 0.00 C ATOM 1425 CE2 TYR A 91 9.222 -3.308 -14.535 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.939 -3.748 -14.877 1.00 0.00 C ATOM 1427 OH TYR A 91 7.262 -3.155 -15.925 1.00 0.00 O ATOM 0 H TYR A 91 10.010 -3.300 -10.279 1.00 0.00 H new ATOM 0 HA TYR A 91 8.339 -5.750 -10.326 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.077 -5.216 -11.565 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.119 -6.671 -11.759 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.568 -6.195 -12.542 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.897 -3.566 -13.210 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.351 -5.128 -14.420 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.683 -2.505 -15.090 1.00 0.00 H new ATOM 0 HH TYR A 91 6.822 -2.338 -15.610 1.00 0.00 H new ATOM 1437 N LEU A 92 9.886 -7.107 -8.817 1.00 0.00 N ATOM 1438 CA LEU A 92 10.595 -7.755 -7.715 1.00 0.00 C ATOM 1439 C LEU A 92 11.135 -9.107 -8.154 1.00 0.00 C ATOM 1440 O LEU A 92 10.390 -9.961 -8.632 1.00 0.00 O ATOM 1441 CB LEU A 92 9.648 -7.935 -6.524 1.00 0.00 C ATOM 1442 CG LEU A 92 10.451 -8.276 -5.251 1.00 0.00 C ATOM 1443 CD1 LEU A 92 9.606 -7.955 -4.016 1.00 0.00 C ATOM 1444 CD2 LEU A 92 10.866 -9.763 -5.232 1.00 0.00 C ATOM 0 H LEU A 92 9.208 -7.702 -9.293 1.00 0.00 H new ATOM 0 HA LEU A 92 11.433 -7.124 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.073 -7.023 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.933 -8.730 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 92 11.360 -7.674 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.172 -8.195 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.353 -6.895 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.690 -8.546 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.430 -9.972 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.975 -10.390 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.487 -9.979 -6.102 1.00 0.00 H new ATOM 1456 N PHE A 93 12.442 -9.294 -7.991 1.00 0.00 N ATOM 1457 CA PHE A 93 13.087 -10.552 -8.375 1.00 0.00 C ATOM 1458 C PHE A 93 14.005 -11.049 -7.262 1.00 0.00 C ATOM 1459 O PHE A 93 14.493 -10.261 -6.453 1.00 0.00 O ATOM 1460 CB PHE A 93 13.901 -10.356 -9.654 1.00 0.00 C ATOM 1461 CG PHE A 93 12.976 -9.950 -10.777 1.00 0.00 C ATOM 1462 CD1 PHE A 93 12.103 -10.890 -11.341 1.00 0.00 C ATOM 1463 CD2 PHE A 93 12.989 -8.634 -11.257 1.00 0.00 C ATOM 1464 CE1 PHE A 93 11.247 -10.514 -12.383 1.00 0.00 C ATOM 1465 CE2 PHE A 93 12.134 -8.258 -12.299 1.00 0.00 C ATOM 1466 CZ PHE A 93 11.261 -9.198 -12.862 1.00 0.00 C ATOM 0 H PHE A 93 13.074 -8.597 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 93 12.308 -11.294 -8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.663 -9.592 -9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.422 -11.278 -9.912 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.091 -11.905 -10.972 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.660 -7.908 -10.822 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.575 -11.239 -12.818 1.00 0.00 H new ATOM 0 HE2 PHE A 93 12.147 -7.243 -12.669 1.00 0.00 H new ATOM 0 HZ PHE A 93 10.599 -8.908 -13.665 1.00 0.00 H new ATOM 1476 N ASP A 94 14.234 -12.361 -7.228 1.00 0.00 N ATOM 1477 CA ASP A 94 15.094 -12.956 -6.210 1.00 0.00 C ATOM 1478 C ASP A 94 16.560 -12.840 -6.619 1.00 0.00 C ATOM 1479 O ASP A 94 16.876 -12.349 -7.703 1.00 0.00 O ATOM 1480 CB ASP A 94 14.731 -14.431 -6.011 1.00 0.00 C ATOM 1481 CG ASP A 94 15.219 -15.261 -7.190 1.00 0.00 C ATOM 1482 OD1 ASP A 94 15.470 -14.676 -8.229 1.00 0.00 O ATOM 1483 OD2 ASP A 94 15.345 -16.463 -7.033 1.00 0.00 O ATOM 0 H ASP A 94 13.838 -13.028 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 94 14.944 -12.419 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.178 -14.801 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.651 -14.536 -5.907 1.00 0.00 H new ATOM 1488 N GLU A 95 17.447 -13.300 -5.745 1.00 0.00 N ATOM 1489 CA GLU A 95 18.876 -13.248 -6.029 1.00 0.00 C ATOM 1490 C GLU A 95 19.260 -14.341 -7.025 1.00 0.00 C ATOM 1491 O GLU A 95 20.400 -14.799 -7.053 1.00 0.00 O ATOM 1492 CB GLU A 95 19.673 -13.424 -4.728 1.00 0.00 C ATOM 1493 CG GLU A 95 21.084 -12.849 -4.900 1.00 0.00 C ATOM 1494 CD GLU A 95 21.859 -12.970 -3.596 1.00 0.00 C ATOM 1495 OE1 GLU A 95 21.381 -13.654 -2.705 1.00 0.00 O ATOM 1496 OE2 GLU A 95 22.921 -12.377 -3.507 1.00 0.00 O ATOM 0 H GLU A 95 17.206 -13.709 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 95 19.111 -12.278 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.163 -12.920 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.731 -14.481 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 95 21.608 -13.381 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 95 21.025 -11.803 -5.202 1.00 0.00 H new ATOM 1503 N GLY A 96 18.302 -14.762 -7.843 1.00 0.00 N ATOM 1504 CA GLY A 96 18.559 -15.809 -8.834 1.00 0.00 C ATOM 1505 C GLY A 96 17.778 -15.549 -10.115 1.00 0.00 C ATOM 1506 O GLY A 96 17.923 -16.272 -11.098 1.00 0.00 O ATOM 0 H GLY A 96 17.348 -14.401 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.625 -15.851 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.280 -16.780 -8.424 1.00 0.00 H new ATOM 1510 N GLY A 97 16.946 -14.510 -10.094 1.00 0.00 N ATOM 1511 CA GLY A 97 16.137 -14.157 -11.258 1.00 0.00 C ATOM 1512 C GLY A 97 14.773 -14.838 -11.201 1.00 0.00 C ATOM 1513 O GLY A 97 13.903 -14.575 -12.031 1.00 0.00 O ATOM 0 H GLY A 97 16.815 -13.900 -9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.006 -13.076 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.657 -14.451 -12.170 1.00 0.00 H new ATOM 1517 N ASP A 98 14.589 -15.714 -10.215 1.00 0.00 N ATOM 1518 CA ASP A 98 13.323 -16.427 -10.059 1.00 0.00 C ATOM 1519 C ASP A 98 12.348 -15.605 -9.226 1.00 0.00 C ATOM 1520 O ASP A 98 12.605 -15.317 -8.057 1.00 0.00 O ATOM 1521 CB ASP A 98 13.564 -17.778 -9.378 1.00 0.00 C ATOM 1522 CG ASP A 98 12.327 -18.657 -9.519 1.00 0.00 C ATOM 1523 OD1 ASP A 98 11.299 -18.139 -9.921 1.00 0.00 O ATOM 1524 OD2 ASP A 98 12.426 -19.837 -9.226 1.00 0.00 O ATOM 0 H ASP A 98 15.295 -15.946 -9.517 1.00 0.00 H new ATOM 0 HA ASP A 98 12.894 -16.590 -11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.426 -18.273 -9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.796 -17.628 -8.324 1.00 0.00 H new ATOM 1529 N GLU A 99 11.228 -15.220 -9.834 1.00 0.00 N ATOM 1530 CA GLU A 99 10.233 -14.423 -9.129 1.00 0.00 C ATOM 1531 C GLU A 99 9.796 -15.124 -7.851 1.00 0.00 C ATOM 1532 O GLU A 99 8.800 -15.847 -7.840 1.00 0.00 O ATOM 1533 CB GLU A 99 9.014 -14.212 -10.030 1.00 0.00 C ATOM 1534 CG GLU A 99 9.382 -13.275 -11.180 1.00 0.00 C ATOM 1535 CD GLU A 99 8.201 -13.122 -12.131 1.00 0.00 C ATOM 1536 OE1 GLU A 99 7.157 -13.685 -11.845 1.00 0.00 O ATOM 1537 OE2 GLU A 99 8.356 -12.443 -13.133 1.00 0.00 O ATOM 0 H GLU A 99 10.991 -15.444 -10.800 1.00 0.00 H new ATOM 0 HA GLU A 99 10.676 -13.461 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.670 -15.169 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.191 -13.790 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.671 -12.300 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.244 -13.669 -11.719 1.00 0.00 H new ATOM 1544 N VAL A 100 10.543 -14.897 -6.775 1.00 0.00 N ATOM 1545 CA VAL A 100 10.224 -15.507 -5.486 1.00 0.00 C ATOM 1546 C VAL A 100 10.826 -14.689 -4.344 1.00 0.00 C ATOM 1547 O VAL A 100 11.989 -14.294 -4.392 1.00 0.00 O ATOM 1548 CB VAL A 100 10.760 -16.946 -5.439 1.00 0.00 C ATOM 1549 CG1 VAL A 100 10.610 -17.506 -4.020 1.00 0.00 C ATOM 1550 CG2 VAL A 100 9.971 -17.830 -6.414 1.00 0.00 C ATOM 0 H VAL A 100 11.369 -14.299 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 100 9.141 -15.525 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 100 11.812 -16.941 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.991 -18.527 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.175 -16.887 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.557 -17.503 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.357 -18.849 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.918 -17.830 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.078 -17.440 -7.426 1.00 0.00 H new ATOM 1560 N ILE A 101 10.035 -14.444 -3.312 1.00 0.00 N ATOM 1561 CA ILE A 101 10.514 -13.675 -2.172 1.00 0.00 C ATOM 1562 C ILE A 101 11.558 -14.474 -1.407 1.00 0.00 C ATOM 1563 O ILE A 101 11.348 -15.645 -1.090 1.00 0.00 O ATOM 1564 CB ILE A 101 9.339 -13.335 -1.247 1.00 0.00 C ATOM 1565 CG1 ILE A 101 8.513 -12.207 -1.872 1.00 0.00 C ATOM 1566 CG2 ILE A 101 9.859 -12.882 0.128 1.00 0.00 C ATOM 1567 CD1 ILE A 101 7.996 -12.638 -3.252 1.00 0.00 C ATOM 0 H ILE A 101 9.069 -14.762 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 101 10.968 -12.751 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 101 8.720 -14.223 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.674 -11.956 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.123 -11.308 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 101 9.015 -12.643 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.446 -13.683 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.485 -11.998 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.410 -11.830 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.841 -12.866 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.370 -13.524 -3.146 1.00 0.00 H new ATOM 1579 N ALA A 102 12.683 -13.832 -1.109 1.00 0.00 N ATOM 1580 CA ALA A 102 13.754 -14.494 -0.373 1.00 0.00 C ATOM 1581 C ALA A 102 14.476 -13.498 0.539 1.00 0.00 C ATOM 1582 O ALA A 102 14.242 -12.288 0.465 1.00 0.00 O ATOM 1583 CB ALA A 102 14.745 -15.141 -1.367 1.00 0.00 C ATOM 0 H ALA A 102 12.876 -12.863 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 102 13.324 -15.274 0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 102 15.544 -15.635 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 102 14.220 -15.874 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 102 15.171 -14.370 -2.010 1.00 0.00 H new ATOM 1589 N PRO A 103 15.355 -13.984 1.379 1.00 0.00 N ATOM 1590 CA PRO A 103 16.143 -13.120 2.309 1.00 0.00 C ATOM 1591 C PRO A 103 16.830 -11.969 1.571 1.00 0.00 C ATOM 1592 O PRO A 103 16.949 -10.865 2.103 1.00 0.00 O ATOM 1593 CB PRO A 103 17.178 -14.087 2.915 1.00 0.00 C ATOM 1594 CG PRO A 103 16.561 -15.443 2.803 1.00 0.00 C ATOM 1595 CD PRO A 103 15.692 -15.413 1.546 1.00 0.00 C ATOM 0 HA PRO A 103 15.516 -12.641 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 103 18.124 -14.039 2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 103 17.390 -13.836 3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.327 -16.214 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.963 -15.673 3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 103 16.229 -15.800 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.797 -16.023 1.665 1.00 0.00 H new ATOM 1603 N ARG A 104 17.281 -12.235 0.343 1.00 0.00 N ATOM 1604 CA ARG A 104 17.959 -11.215 -0.467 1.00 0.00 C ATOM 1605 C ARG A 104 17.179 -10.949 -1.746 1.00 0.00 C ATOM 1606 O ARG A 104 17.581 -11.367 -2.833 1.00 0.00 O ATOM 1607 CB ARG A 104 19.380 -11.684 -0.812 1.00 0.00 C ATOM 1608 CG ARG A 104 20.012 -12.394 0.406 1.00 0.00 C ATOM 1609 CD ARG A 104 19.837 -13.909 0.272 1.00 0.00 C ATOM 1610 NE ARG A 104 20.314 -14.579 1.474 1.00 0.00 N ATOM 1611 CZ ARG A 104 21.601 -14.847 1.643 1.00 0.00 C ATOM 1612 NH1 ARG A 104 22.465 -14.507 0.726 1.00 0.00 N ATOM 1613 NH2 ARG A 104 22.001 -15.448 2.729 1.00 0.00 N ATOM 0 H ARG A 104 17.191 -13.143 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 104 18.014 -10.291 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 104 19.351 -12.363 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.992 -10.831 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.071 -12.146 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 104 19.543 -12.045 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 104 18.786 -14.148 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 104 20.387 -14.270 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 104 19.647 -14.846 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 104 22.150 -14.035 -0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 104 23.455 -14.714 0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 104 21.324 -15.710 3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 104 22.991 -15.656 2.862 1.00 0.00 H new ATOM 1627 N MET A 105 16.064 -10.246 -1.612 1.00 0.00 N ATOM 1628 CA MET A 105 15.227 -9.917 -2.761 1.00 0.00 C ATOM 1629 C MET A 105 15.408 -8.456 -3.140 1.00 0.00 C ATOM 1630 O MET A 105 15.664 -7.612 -2.282 1.00 0.00 O ATOM 1631 CB MET A 105 13.758 -10.187 -2.432 1.00 0.00 C ATOM 1632 CG MET A 105 13.270 -9.181 -1.387 1.00 0.00 C ATOM 1633 SD MET A 105 11.661 -9.710 -0.748 1.00 0.00 S ATOM 1634 CE MET A 105 11.143 -8.107 -0.087 1.00 0.00 C ATOM 0 H MET A 105 15.716 -9.892 -0.721 1.00 0.00 H new ATOM 0 HA MET A 105 15.526 -10.542 -3.603 1.00 0.00 H new ATOM 0 HB2 MET A 105 13.153 -10.110 -3.335 1.00 0.00 H new ATOM 0 HB3 MET A 105 13.640 -11.203 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 105 13.991 -9.108 -0.573 1.00 0.00 H new ATOM 0 HG3 MET A 105 13.189 -8.189 -1.831 1.00 0.00 H new ATOM 0 HE1 MET A 105 10.395 -8.259 0.692 1.00 0.00 H new ATOM 0 HE2 MET A 105 12.006 -7.591 0.334 1.00 0.00 H new ATOM 0 HE3 MET A 105 10.715 -7.504 -0.888 1.00 0.00 H new ATOM 1644 N TYR A 106 15.273 -8.164 -4.430 1.00 0.00 N ATOM 1645 CA TYR A 106 15.419 -6.796 -4.927 1.00 0.00 C ATOM 1646 C TYR A 106 14.111 -6.311 -5.530 1.00 0.00 C ATOM 1647 O TYR A 106 13.548 -6.954 -6.421 1.00 0.00 O ATOM 1648 CB TYR A 106 16.522 -6.740 -5.984 1.00 0.00 C ATOM 1649 CG TYR A 106 16.640 -5.327 -6.509 1.00 0.00 C ATOM 1650 CD1 TYR A 106 17.014 -4.287 -5.648 1.00 0.00 C ATOM 1651 CD2 TYR A 106 16.378 -5.055 -7.860 1.00 0.00 C ATOM 1652 CE1 TYR A 106 17.126 -2.981 -6.133 1.00 0.00 C ATOM 1653 CE2 TYR A 106 16.491 -3.748 -8.344 1.00 0.00 C ATOM 1654 CZ TYR A 106 16.866 -2.710 -7.481 1.00 0.00 C ATOM 1655 OH TYR A 106 16.975 -1.422 -7.957 1.00 0.00 O ATOM 0 H TYR A 106 15.063 -8.854 -5.151 1.00 0.00 H new ATOM 0 HA TYR A 106 15.686 -6.149 -4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 106 17.471 -7.061 -5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 106 16.294 -7.426 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 106 17.216 -4.495 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 106 16.089 -5.855 -8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 106 17.413 -2.181 -5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.289 -3.538 -9.384 1.00 0.00 H new ATOM 0 HH TYR A 106 16.358 -1.298 -8.708 1.00 0.00 H new ATOM 1665 N CYS A 107 13.623 -5.171 -5.031 1.00 0.00 N ATOM 1666 CA CYS A 107 12.367 -4.589 -5.512 1.00 0.00 C ATOM 1667 C CYS A 107 12.589 -3.161 -6.003 1.00 0.00 C ATOM 1668 O CYS A 107 12.852 -2.252 -5.212 1.00 0.00 O ATOM 1669 CB CYS A 107 11.317 -4.602 -4.382 1.00 0.00 C ATOM 1670 SG CYS A 107 11.703 -5.934 -3.217 1.00 0.00 S ATOM 0 H CYS A 107 14.079 -4.633 -4.294 1.00 0.00 H new ATOM 0 HA CYS A 107 12.003 -5.188 -6.347 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.311 -3.642 -3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.320 -4.746 -4.799 1.00 0.00 H new ATOM 0 HG CYS A 107 11.495 -5.521 -2.002 1.00 0.00 H new ATOM 1676 N SER A 108 12.485 -2.975 -7.310 1.00 0.00 N ATOM 1677 CA SER A 108 12.674 -1.653 -7.896 1.00 0.00 C ATOM 1678 C SER A 108 12.227 -1.638 -9.356 1.00 0.00 C ATOM 1679 O SER A 108 11.963 -2.688 -9.948 1.00 0.00 O ATOM 1680 CB SER A 108 14.143 -1.241 -7.804 1.00 0.00 C ATOM 1681 OG SER A 108 14.845 -1.769 -8.919 1.00 0.00 O ATOM 0 H SER A 108 12.273 -3.713 -7.981 1.00 0.00 H new ATOM 0 HA SER A 108 12.064 -0.943 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 108 14.228 -0.154 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.579 -1.610 -6.876 1.00 0.00 H new ATOM 0 HG SER A 108 15.338 -2.571 -8.645 1.00 0.00 H new ATOM 1687 N PHE A 109 12.144 -0.442 -9.931 1.00 0.00 N ATOM 1688 CA PHE A 109 11.738 -0.305 -11.325 1.00 0.00 C ATOM 1689 C PHE A 109 12.740 -1.002 -12.242 1.00 0.00 C ATOM 1690 O PHE A 109 12.359 -1.746 -13.143 1.00 0.00 O ATOM 1691 CB PHE A 109 11.647 1.175 -11.700 1.00 0.00 C ATOM 1692 CG PHE A 109 11.286 1.304 -13.161 1.00 0.00 C ATOM 1693 CD1 PHE A 109 12.279 1.171 -14.140 1.00 0.00 C ATOM 1694 CD2 PHE A 109 9.961 1.552 -13.538 1.00 0.00 C ATOM 1695 CE1 PHE A 109 11.945 1.286 -15.494 1.00 0.00 C ATOM 1696 CE2 PHE A 109 9.628 1.668 -14.891 1.00 0.00 C ATOM 1697 CZ PHE A 109 10.619 1.536 -15.870 1.00 0.00 C ATOM 0 H PHE A 109 12.350 0.438 -9.458 1.00 0.00 H new ATOM 0 HA PHE A 109 10.760 -0.771 -11.448 1.00 0.00 H new ATOM 0 HB2 PHE A 109 10.897 1.672 -11.084 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.598 1.670 -11.505 1.00 0.00 H new ATOM 0 HD1 PHE A 109 13.302 0.980 -13.850 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.195 1.654 -12.783 1.00 0.00 H new ATOM 0 HE1 PHE A 109 12.710 1.182 -16.249 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.605 1.860 -15.181 1.00 0.00 H new ATOM 0 HZ PHE A 109 10.362 1.627 -16.915 1.00 0.00 H new ATOM 1707 N SER A 110 14.026 -0.744 -12.012 1.00 0.00 N ATOM 1708 CA SER A 110 15.074 -1.347 -12.830 1.00 0.00 C ATOM 1709 C SER A 110 15.003 -2.863 -12.749 1.00 0.00 C ATOM 1710 O SER A 110 14.653 -3.422 -11.710 1.00 0.00 O ATOM 1711 CB SER A 110 16.447 -0.874 -12.354 1.00 0.00 C ATOM 1712 OG SER A 110 16.659 0.464 -12.788 1.00 0.00 O ATOM 0 H SER A 110 14.364 -0.127 -11.273 1.00 0.00 H new ATOM 0 HA SER A 110 14.924 -1.039 -13.865 1.00 0.00 H new ATOM 0 HB2 SER A 110 16.507 -0.930 -11.267 1.00 0.00 H new ATOM 0 HB3 SER A 110 17.226 -1.525 -12.750 1.00 0.00 H new ATOM 0 HG SER A 110 17.538 0.771 -12.483 1.00 0.00 H new ATOM 1718 N ALA A 111 15.331 -3.524 -13.855 1.00 0.00 N ATOM 1719 CA ALA A 111 15.292 -4.981 -13.904 1.00 0.00 C ATOM 1720 C ALA A 111 16.555 -5.572 -13.268 1.00 0.00 C ATOM 1721 O ALA A 111 17.505 -4.848 -12.965 1.00 0.00 O ATOM 1722 CB ALA A 111 15.150 -5.459 -15.368 1.00 0.00 C ATOM 0 H ALA A 111 15.625 -3.077 -14.724 1.00 0.00 H new ATOM 0 HA ALA A 111 14.428 -5.328 -13.337 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.122 -6.548 -15.394 1.00 0.00 H new ATOM 0 HB2 ALA A 111 14.228 -5.062 -15.793 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.000 -5.104 -15.951 1.00 0.00 H new ATOM 1728 N PRO A 112 16.579 -6.867 -13.072 1.00 0.00 N ATOM 1729 CA PRO A 112 17.753 -7.566 -12.473 1.00 0.00 C ATOM 1730 C PRO A 112 19.058 -7.202 -13.187 1.00 0.00 C ATOM 1731 O PRO A 112 20.087 -6.979 -12.548 1.00 0.00 O ATOM 1732 CB PRO A 112 17.422 -9.059 -12.658 1.00 0.00 C ATOM 1733 CG PRO A 112 15.930 -9.123 -12.757 1.00 0.00 C ATOM 1734 CD PRO A 112 15.488 -7.807 -13.398 1.00 0.00 C ATOM 0 HA PRO A 112 17.911 -7.289 -11.431 1.00 0.00 H new ATOM 0 HB2 PRO A 112 17.893 -9.458 -13.556 1.00 0.00 H new ATOM 0 HB3 PRO A 112 17.786 -9.650 -11.818 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.616 -9.975 -13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.480 -9.247 -11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.359 -7.911 -14.475 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.534 -7.467 -12.995 1.00 0.00 H new ATOM 1742 N ASP A 113 19.006 -7.146 -14.513 1.00 0.00 N ATOM 1743 CA ASP A 113 20.189 -6.817 -15.301 1.00 0.00 C ATOM 1744 C ASP A 113 20.657 -5.400 -15.005 1.00 0.00 C ATOM 1745 O ASP A 113 21.856 -5.138 -14.890 1.00 0.00 O ATOM 1746 CB ASP A 113 19.886 -6.962 -16.794 1.00 0.00 C ATOM 1747 CG ASP A 113 19.760 -8.439 -17.160 1.00 0.00 C ATOM 1748 OD1 ASP A 113 20.156 -9.266 -16.356 1.00 0.00 O ATOM 1749 OD2 ASP A 113 19.268 -8.720 -18.241 1.00 0.00 O ATOM 0 H ASP A 113 18.165 -7.323 -15.062 1.00 0.00 H new ATOM 0 HA ASP A 113 20.984 -7.510 -15.028 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.962 -6.438 -17.039 1.00 0.00 H new ATOM 0 HB3 ASP A 113 20.679 -6.500 -17.381 1.00 0.00 H new ATOM 1754 N ASP A 114 19.703 -4.498 -14.884 1.00 0.00 N ATOM 1755 CA ASP A 114 20.010 -3.100 -14.601 1.00 0.00 C ATOM 1756 C ASP A 114 21.155 -2.609 -15.481 1.00 0.00 C ATOM 1757 O ASP A 114 20.929 -2.419 -16.665 1.00 0.00 O ATOM 1758 CB ASP A 114 20.392 -2.934 -13.129 1.00 0.00 C ATOM 1759 CG ASP A 114 20.617 -1.460 -12.807 1.00 0.00 C ATOM 1760 OD1 ASP A 114 20.600 -0.663 -13.731 1.00 0.00 O ATOM 1761 OD2 ASP A 114 20.804 -1.151 -11.642 1.00 0.00 O ATOM 0 H ASP A 114 18.708 -4.703 -14.976 1.00 0.00 H new ATOM 0 HA ASP A 114 19.121 -2.506 -14.816 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.603 -3.336 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 114 21.296 -3.503 -12.914 1.00 0.00 H new TER 1766 ASP A 114