USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=29 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 100:sc= -0.0442 USER MOD Set 1.2: A 108 SER OG : rot -95:sc= 0.0546 USER MOD Single : A 1 GLY N :NH3+ 179:sc= 0 (180deg=-0.000383) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0753 K(o=-0.075,f=-0.65) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -169:sc= -0.0963 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc=-0.00764 (180deg=-0.422) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.0289 (180deg=-0.442) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.458 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.105 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.094 (180deg=-0.594) USER MOD Single : A 39 CYS SG : rot -92:sc= 0.738 USER MOD Single : A 40 SER OG : rot 28:sc= 0.804! USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.0232 (180deg=-0.325) USER MOD Single : A 49 THR OG1 : rot 147:sc= -1.72! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -9:sc= 0.472 USER MOD Single : A 66 SER OG : rot 180:sc= -0.646 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0425 USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= -0.0706 (180deg=-0.603) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 77 LYS NZ :NH3+ -109:sc= -1.59 (180deg=-2.39!) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.427 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -170:sc= -0.0783 (180deg=-0.1) USER MOD Single : A 107 CYS SG : rot 27:sc= 0.781 USER MOD Single : A 110 SER OG : rot 18:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.833 -11.319 26.852 1.00 0.00 N ATOM 2 CA GLY A 1 13.326 -10.199 26.009 1.00 0.00 C ATOM 3 C GLY A 1 14.089 -10.167 24.689 1.00 0.00 C ATOM 4 O GLY A 1 14.592 -9.123 24.277 1.00 0.00 O ATOM 0 H1 GLY A 1 13.324 -11.329 27.759 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.680 -12.222 26.359 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.850 -11.189 27.028 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.260 -10.325 25.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.447 -9.251 26.534 1.00 0.00 H new ATOM 7 N LYS A 2 14.164 -11.321 24.024 1.00 0.00 N ATOM 8 CA LYS A 2 14.858 -11.428 22.738 1.00 0.00 C ATOM 9 C LYS A 2 13.860 -11.627 21.600 1.00 0.00 C ATOM 10 O LYS A 2 13.097 -12.594 21.590 1.00 0.00 O ATOM 11 CB LYS A 2 15.845 -12.607 22.766 1.00 0.00 C ATOM 12 CG LYS A 2 17.228 -12.112 23.181 1.00 0.00 C ATOM 13 CD LYS A 2 18.191 -13.287 23.208 1.00 0.00 C ATOM 14 CE LYS A 2 19.615 -12.753 23.284 1.00 0.00 C ATOM 15 NZ LYS A 2 20.580 -13.889 23.234 1.00 0.00 N ATOM 0 H LYS A 2 13.753 -12.195 24.354 1.00 0.00 H new ATOM 0 HA LYS A 2 15.405 -10.500 22.569 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.497 -13.369 23.464 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.896 -13.075 21.783 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.581 -11.353 22.483 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.180 -11.643 24.164 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.982 -13.927 24.065 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.065 -13.899 22.315 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.802 -12.068 22.457 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.753 -12.186 24.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.552 -13.522 23.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.407 -14.527 24.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.455 -14.412 22.344 1.00 0.00 H new ATOM 29 N LYS A 3 13.879 -10.711 20.636 1.00 0.00 N ATOM 30 CA LYS A 3 12.984 -10.790 19.480 1.00 0.00 C ATOM 31 C LYS A 3 13.771 -11.140 18.223 1.00 0.00 C ATOM 32 O LYS A 3 13.218 -11.173 17.123 1.00 0.00 O ATOM 33 CB LYS A 3 12.275 -9.452 19.279 1.00 0.00 C ATOM 34 CG LYS A 3 11.398 -9.154 20.496 1.00 0.00 C ATOM 35 CD LYS A 3 10.545 -7.907 20.226 1.00 0.00 C ATOM 36 CE LYS A 3 11.432 -6.660 20.170 1.00 0.00 C ATOM 37 NZ LYS A 3 10.580 -5.444 20.291 1.00 0.00 N ATOM 0 H LYS A 3 14.503 -9.904 20.630 1.00 0.00 H new ATOM 0 HA LYS A 3 12.245 -11.570 19.666 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.008 -8.657 19.141 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.665 -9.483 18.376 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.754 -10.007 20.710 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.022 -8.996 21.376 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.008 -8.022 19.285 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.795 -7.794 21.009 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.166 -6.685 20.975 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.988 -6.637 19.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.179 -4.595 20.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.896 -5.420 19.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.069 -5.467 21.196 1.00 0.00 H new ATOM 51 N VAL A 4 15.065 -11.394 18.391 1.00 0.00 N ATOM 52 CA VAL A 4 15.926 -11.736 17.261 1.00 0.00 C ATOM 53 C VAL A 4 15.856 -13.230 16.966 1.00 0.00 C ATOM 54 O VAL A 4 16.707 -13.771 16.260 1.00 0.00 O ATOM 55 CB VAL A 4 17.371 -11.342 17.564 1.00 0.00 C ATOM 56 CG1 VAL A 4 17.487 -9.820 17.613 1.00 0.00 C ATOM 57 CG2 VAL A 4 17.794 -11.930 18.914 1.00 0.00 C ATOM 0 H VAL A 4 15.540 -11.370 19.293 1.00 0.00 H new ATOM 0 HA VAL A 4 15.577 -11.187 16.386 1.00 0.00 H new ATOM 0 HB VAL A 4 18.021 -11.731 16.781 1.00 0.00 H new ATOM 0 HG11 VAL A 4 18.518 -9.540 17.829 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.192 -9.401 16.651 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.834 -9.430 18.394 1.00 0.00 H new ATOM 0 HG21 VAL A 4 18.825 -11.647 19.127 1.00 0.00 H new ATOM 0 HG22 VAL A 4 17.143 -11.545 19.699 1.00 0.00 H new ATOM 0 HG23 VAL A 4 17.716 -13.017 18.878 1.00 0.00 H new ATOM 67 N GLU A 5 14.838 -13.885 17.512 1.00 0.00 N ATOM 68 CA GLU A 5 14.657 -15.317 17.305 1.00 0.00 C ATOM 69 C GLU A 5 15.884 -16.098 17.767 1.00 0.00 C ATOM 70 O GLU A 5 16.169 -16.174 18.962 1.00 0.00 O ATOM 71 CB GLU A 5 14.389 -15.600 15.822 1.00 0.00 C ATOM 72 CG GLU A 5 13.106 -14.890 15.391 1.00 0.00 C ATOM 73 CD GLU A 5 11.901 -15.520 16.082 1.00 0.00 C ATOM 74 OE1 GLU A 5 11.357 -16.464 15.534 1.00 0.00 O ATOM 75 OE2 GLU A 5 11.542 -15.050 17.149 1.00 0.00 O ATOM 0 H GLU A 5 14.127 -13.449 18.100 1.00 0.00 H new ATOM 0 HA GLU A 5 13.802 -15.641 17.898 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.228 -15.256 15.218 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.296 -16.673 15.657 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.166 -13.831 15.641 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.990 -14.956 14.309 1.00 0.00 H new ATOM 82 N PHE A 6 16.599 -16.682 16.815 1.00 0.00 N ATOM 83 CA PHE A 6 17.787 -17.466 17.132 1.00 0.00 C ATOM 84 C PHE A 6 17.477 -18.512 18.198 1.00 0.00 C ATOM 85 O PHE A 6 16.671 -19.417 17.976 1.00 0.00 O ATOM 86 CB PHE A 6 18.912 -16.545 17.623 1.00 0.00 C ATOM 87 CG PHE A 6 19.451 -15.726 16.468 1.00 0.00 C ATOM 88 CD1 PHE A 6 20.086 -16.368 15.396 1.00 0.00 C ATOM 89 CD2 PHE A 6 19.316 -14.334 16.468 1.00 0.00 C ATOM 90 CE1 PHE A 6 20.582 -15.616 14.328 1.00 0.00 C ATOM 91 CE2 PHE A 6 19.815 -13.583 15.396 1.00 0.00 C ATOM 92 CZ PHE A 6 20.447 -14.224 14.327 1.00 0.00 C ATOM 0 H PHE A 6 16.379 -16.629 15.820 1.00 0.00 H new ATOM 0 HA PHE A 6 18.109 -17.978 16.225 1.00 0.00 H new ATOM 0 HB2 PHE A 6 18.537 -15.884 18.405 1.00 0.00 H new ATOM 0 HB3 PHE A 6 19.713 -17.138 18.064 1.00 0.00 H new ATOM 0 HD1 PHE A 6 20.192 -17.443 15.396 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.827 -13.838 17.294 1.00 0.00 H new ATOM 0 HE1 PHE A 6 21.071 -16.111 13.502 1.00 0.00 H new ATOM 0 HE2 PHE A 6 19.711 -12.508 15.396 1.00 0.00 H new ATOM 0 HZ PHE A 6 20.831 -13.645 13.500 1.00 0.00 H new ATOM 102 N ASN A 7 18.131 -18.398 19.348 1.00 0.00 N ATOM 103 CA ASN A 7 17.930 -19.354 20.425 1.00 0.00 C ATOM 104 C ASN A 7 16.463 -19.390 20.829 1.00 0.00 C ATOM 105 O ASN A 7 15.904 -20.460 21.074 1.00 0.00 O ATOM 106 CB ASN A 7 18.780 -18.955 21.634 1.00 0.00 C ATOM 107 CG ASN A 7 20.251 -18.877 21.239 1.00 0.00 C ATOM 108 OD1 ASN A 7 20.726 -19.684 20.442 1.00 0.00 O ATOM 109 ND2 ASN A 7 21.005 -17.943 21.756 1.00 0.00 N ATOM 0 H ASN A 7 18.801 -17.657 19.556 1.00 0.00 H new ATOM 0 HA ASN A 7 18.229 -20.343 20.077 1.00 0.00 H new ATOM 0 HB2 ASN A 7 18.448 -17.991 22.020 1.00 0.00 H new ATOM 0 HB3 ASN A 7 18.649 -19.682 22.436 1.00 0.00 H new ATOM 0 HD21 ASN A 7 21.990 -17.882 21.499 1.00 0.00 H new ATOM 0 HD22 ASN A 7 20.608 -17.275 22.417 1.00 0.00 H new ATOM 116 N ASP A 8 15.837 -18.221 20.888 1.00 0.00 N ATOM 117 CA ASP A 8 14.429 -18.137 21.257 1.00 0.00 C ATOM 118 C ASP A 8 13.547 -18.409 20.048 1.00 0.00 C ATOM 119 O ASP A 8 13.525 -17.631 19.096 1.00 0.00 O ATOM 120 CB ASP A 8 14.117 -16.751 21.804 1.00 0.00 C ATOM 121 CG ASP A 8 14.819 -16.551 23.141 1.00 0.00 C ATOM 122 OD1 ASP A 8 14.519 -17.292 24.061 1.00 0.00 O ATOM 123 OD2 ASP A 8 15.656 -15.668 23.221 1.00 0.00 O ATOM 0 H ASP A 8 16.278 -17.324 20.687 1.00 0.00 H new ATOM 0 HA ASP A 8 14.228 -18.886 22.023 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.442 -15.989 21.095 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.040 -16.633 21.927 1.00 0.00 H new ATOM 128 N LYS A 9 12.830 -19.520 20.085 1.00 0.00 N ATOM 129 CA LYS A 9 11.964 -19.884 18.978 1.00 0.00 C ATOM 130 C LYS A 9 10.802 -18.902 18.846 1.00 0.00 C ATOM 131 O LYS A 9 10.467 -18.194 19.798 1.00 0.00 O ATOM 132 CB LYS A 9 11.432 -21.319 19.181 1.00 0.00 C ATOM 133 CG LYS A 9 12.240 -22.298 18.330 1.00 0.00 C ATOM 134 CD LYS A 9 11.677 -23.713 18.500 1.00 0.00 C ATOM 135 CE LYS A 9 11.840 -24.174 19.956 1.00 0.00 C ATOM 136 NZ LYS A 9 11.882 -25.661 19.999 1.00 0.00 N ATOM 0 H LYS A 9 12.830 -20.180 20.863 1.00 0.00 H new ATOM 0 HA LYS A 9 12.545 -19.843 18.057 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.500 -21.596 20.233 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.378 -21.368 18.906 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.200 -22.003 17.281 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.288 -22.275 18.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.623 -23.730 18.221 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.195 -24.402 17.832 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.755 -23.760 20.380 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.012 -23.804 20.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.992 -25.977 20.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.997 -26.045 19.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.686 -26.002 19.434 1.00 0.00 H new ATOM 150 N PRO A 10 10.174 -18.852 17.693 1.00 0.00 N ATOM 151 CA PRO A 10 9.025 -17.941 17.463 1.00 0.00 C ATOM 152 C PRO A 10 8.014 -17.989 18.612 1.00 0.00 C ATOM 153 O PRO A 10 7.593 -19.064 19.039 1.00 0.00 O ATOM 154 CB PRO A 10 8.394 -18.470 16.163 1.00 0.00 C ATOM 155 CG PRO A 10 9.501 -19.153 15.429 1.00 0.00 C ATOM 156 CD PRO A 10 10.499 -19.642 16.486 1.00 0.00 C ATOM 0 HA PRO A 10 9.337 -16.899 17.399 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.579 -19.162 16.376 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.975 -17.656 15.571 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.118 -19.989 14.843 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.982 -18.468 14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.391 -20.711 16.670 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.528 -19.476 16.168 1.00 0.00 H new ATOM 164 N LYS A 11 7.628 -16.813 19.103 1.00 0.00 N ATOM 165 CA LYS A 11 6.664 -16.717 20.201 1.00 0.00 C ATOM 166 C LYS A 11 5.260 -16.467 19.664 1.00 0.00 C ATOM 167 O LYS A 11 4.470 -15.753 20.280 1.00 0.00 O ATOM 168 CB LYS A 11 7.053 -15.577 21.140 1.00 0.00 C ATOM 169 CG LYS A 11 8.333 -15.946 21.888 1.00 0.00 C ATOM 170 CD LYS A 11 8.645 -14.879 22.945 1.00 0.00 C ATOM 171 CE LYS A 11 9.124 -13.587 22.276 1.00 0.00 C ATOM 172 NZ LYS A 11 9.738 -12.698 23.304 1.00 0.00 N ATOM 0 H LYS A 11 7.966 -15.914 18.760 1.00 0.00 H new ATOM 0 HA LYS A 11 6.673 -17.661 20.746 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.203 -14.659 20.572 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.248 -15.385 21.849 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.219 -16.920 22.364 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.163 -16.030 21.187 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.755 -14.678 23.542 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.410 -15.248 23.628 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.850 -13.815 21.496 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.287 -13.081 21.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.064 -11.820 22.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.032 -12.471 24.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.546 -13.182 23.744 1.00 0.00 H new ATOM 186 N VAL A 12 4.955 -17.063 18.512 1.00 0.00 N ATOM 187 CA VAL A 12 3.639 -16.909 17.888 1.00 0.00 C ATOM 188 C VAL A 12 2.892 -18.244 17.892 1.00 0.00 C ATOM 189 O VAL A 12 2.799 -18.909 18.924 1.00 0.00 O ATOM 190 CB VAL A 12 3.803 -16.398 16.451 1.00 0.00 C ATOM 191 CG1 VAL A 12 4.335 -14.964 16.480 1.00 0.00 C ATOM 192 CG2 VAL A 12 4.794 -17.293 15.695 1.00 0.00 C ATOM 0 H VAL A 12 5.600 -17.657 17.991 1.00 0.00 H new ATOM 0 HA VAL A 12 3.058 -16.185 18.459 1.00 0.00 H new ATOM 0 HB VAL A 12 2.837 -16.421 15.947 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.452 -14.599 15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.632 -14.326 17.015 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.300 -14.944 16.986 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.909 -16.928 14.674 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.760 -17.272 16.199 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.418 -18.316 15.674 1.00 0.00 H new ATOM 202 N ARG A 13 2.364 -18.631 16.731 1.00 0.00 N ATOM 203 CA ARG A 13 1.629 -19.885 16.603 1.00 0.00 C ATOM 204 C ARG A 13 2.575 -21.024 16.247 1.00 0.00 C ATOM 205 O ARG A 13 3.795 -20.853 16.229 1.00 0.00 O ATOM 206 CB ARG A 13 0.559 -19.743 15.519 1.00 0.00 C ATOM 207 CG ARG A 13 -0.547 -18.813 16.016 1.00 0.00 C ATOM 208 CD ARG A 13 -1.601 -18.642 14.920 1.00 0.00 C ATOM 209 NE ARG A 13 -2.675 -17.771 15.389 1.00 0.00 N ATOM 210 CZ ARG A 13 -2.593 -16.448 15.274 1.00 0.00 C ATOM 211 NH1 ARG A 13 -1.534 -15.903 14.741 1.00 0.00 N ATOM 212 NH2 ARG A 13 -3.571 -15.694 15.697 1.00 0.00 N ATOM 0 H ARG A 13 2.433 -18.093 15.867 1.00 0.00 H new ATOM 0 HA ARG A 13 1.154 -20.113 17.557 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.001 -19.345 14.606 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.144 -20.720 15.272 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.006 -19.224 16.915 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.128 -17.844 16.286 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.142 -18.218 14.026 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.007 -19.614 14.640 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.505 -18.185 15.813 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.768 -16.491 14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.472 -14.889 14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.398 -16.119 16.116 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.508 -14.680 15.609 1.00 0.00 H new ATOM 226 N LYS A 14 2.003 -22.188 15.957 1.00 0.00 N ATOM 227 CA LYS A 14 2.802 -23.351 15.599 1.00 0.00 C ATOM 228 C LYS A 14 3.490 -23.132 14.260 1.00 0.00 C ATOM 229 O LYS A 14 2.897 -22.577 13.338 1.00 0.00 O ATOM 230 CB LYS A 14 1.918 -24.592 15.522 1.00 0.00 C ATOM 231 CG LYS A 14 1.409 -24.937 16.920 1.00 0.00 C ATOM 232 CD LYS A 14 0.557 -26.205 16.854 1.00 0.00 C ATOM 233 CE LYS A 14 0.066 -26.563 18.257 1.00 0.00 C ATOM 234 NZ LYS A 14 -0.752 -27.807 18.192 1.00 0.00 N ATOM 0 H LYS A 14 0.996 -22.349 15.963 1.00 0.00 H new ATOM 0 HA LYS A 14 3.561 -23.496 16.368 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.078 -24.413 14.851 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.482 -25.429 15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.249 -25.086 17.598 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.820 -24.111 17.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.292 -26.051 16.188 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.141 -27.027 16.441 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.915 -26.707 18.926 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.527 -25.745 18.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.087 -28.052 19.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.569 -27.653 17.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.172 -28.585 17.818 1.00 0.00 H new ATOM 248 N ILE A 15 4.746 -23.570 14.166 1.00 0.00 N ATOM 249 CA ILE A 15 5.522 -23.401 12.941 1.00 0.00 C ATOM 250 C ILE A 15 4.655 -23.683 11.706 1.00 0.00 C ATOM 251 O ILE A 15 4.388 -24.842 11.383 1.00 0.00 O ATOM 252 CB ILE A 15 6.726 -24.342 12.947 1.00 0.00 C ATOM 253 CG1 ILE A 15 7.443 -24.253 14.302 1.00 0.00 C ATOM 254 CG2 ILE A 15 7.696 -23.935 11.832 1.00 0.00 C ATOM 255 CD1 ILE A 15 7.729 -22.787 14.657 1.00 0.00 C ATOM 0 H ILE A 15 5.244 -24.042 14.921 1.00 0.00 H new ATOM 0 HA ILE A 15 5.870 -22.369 12.898 1.00 0.00 H new ATOM 0 HB ILE A 15 6.387 -25.365 12.782 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.828 -24.709 15.078 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.377 -24.814 14.265 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.556 -24.605 11.835 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.190 -23.998 10.869 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.033 -22.912 11.999 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.237 -22.738 15.620 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.363 -22.344 13.889 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.790 -22.237 14.714 1.00 0.00 H new ATOM 267 N PRO A 16 4.193 -22.651 11.020 1.00 0.00 N ATOM 268 CA PRO A 16 3.330 -22.813 9.819 1.00 0.00 C ATOM 269 C PRO A 16 4.136 -23.152 8.569 1.00 0.00 C ATOM 270 O PRO A 16 5.331 -22.863 8.490 1.00 0.00 O ATOM 271 CB PRO A 16 2.627 -21.453 9.701 1.00 0.00 C ATOM 272 CG PRO A 16 3.586 -20.459 10.285 1.00 0.00 C ATOM 273 CD PRO A 16 4.456 -21.219 11.298 1.00 0.00 C ATOM 0 HA PRO A 16 2.630 -23.643 9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.400 -21.217 8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.681 -21.451 10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.203 -20.013 9.505 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.049 -19.645 10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.512 -20.979 11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.190 -20.959 12.322 1.00 0.00 H new ATOM 281 N SER A 17 3.472 -23.762 7.593 1.00 0.00 N ATOM 282 CA SER A 17 4.134 -24.129 6.349 1.00 0.00 C ATOM 283 C SER A 17 4.652 -22.887 5.633 1.00 0.00 C ATOM 284 O SER A 17 5.744 -22.895 5.070 1.00 0.00 O ATOM 285 CB SER A 17 3.157 -24.872 5.440 1.00 0.00 C ATOM 286 OG SER A 17 2.723 -26.061 6.087 1.00 0.00 O ATOM 0 H SER A 17 2.484 -24.011 7.639 1.00 0.00 H new ATOM 0 HA SER A 17 4.978 -24.778 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.302 -24.237 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.637 -25.115 4.492 1.00 0.00 H new ATOM 0 HG SER A 17 2.095 -26.539 5.506 1.00 0.00 H new ATOM 292 N THR A 18 3.852 -21.822 5.652 1.00 0.00 N ATOM 293 CA THR A 18 4.228 -20.571 4.997 1.00 0.00 C ATOM 294 C THR A 18 5.021 -19.693 5.955 1.00 0.00 C ATOM 295 O THR A 18 5.411 -20.135 7.037 1.00 0.00 O ATOM 296 CB THR A 18 2.973 -19.813 4.547 1.00 0.00 C ATOM 297 OG1 THR A 18 2.539 -18.954 5.594 1.00 0.00 O ATOM 298 CG2 THR A 18 1.857 -20.805 4.211 1.00 0.00 C ATOM 0 H THR A 18 2.942 -21.800 6.112 1.00 0.00 H new ATOM 0 HA THR A 18 4.842 -20.809 4.129 1.00 0.00 H new ATOM 0 HB THR A 18 3.209 -19.224 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.649 -18.602 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.969 -20.259 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.186 -21.464 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.620 -21.399 5.094 1.00 0.00 H new ATOM 306 N ARG A 19 5.254 -18.443 5.558 1.00 0.00 N ATOM 307 CA ARG A 19 6.004 -17.504 6.396 1.00 0.00 C ATOM 308 C ARG A 19 5.310 -16.150 6.430 1.00 0.00 C ATOM 309 O ARG A 19 4.349 -15.916 5.694 1.00 0.00 O ATOM 310 CB ARG A 19 7.432 -17.350 5.866 1.00 0.00 C ATOM 311 CG ARG A 19 8.216 -18.631 6.139 1.00 0.00 C ATOM 312 CD ARG A 19 9.621 -18.497 5.552 1.00 0.00 C ATOM 313 NE ARG A 19 10.398 -19.695 5.838 1.00 0.00 N ATOM 314 CZ ARG A 19 10.267 -20.792 5.099 1.00 0.00 C ATOM 315 NH1 ARG A 19 9.420 -20.808 4.104 1.00 0.00 N ATOM 316 NH2 ARG A 19 10.978 -21.849 5.370 1.00 0.00 N ATOM 0 H ARG A 19 4.938 -18.057 4.668 1.00 0.00 H new ATOM 0 HA ARG A 19 6.044 -17.900 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.414 -17.143 4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.920 -16.502 6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.273 -18.814 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.704 -19.486 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.560 -18.342 4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.118 -17.623 5.973 1.00 0.00 H new ATOM 0 HE ARG A 19 11.054 -19.692 6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.862 -19.980 3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.317 -21.648 3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.636 -21.835 6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.877 -22.691 4.803 1.00 0.00 H new ATOM 330 N LYS A 20 5.797 -15.259 7.291 1.00 0.00 N ATOM 331 CA LYS A 20 5.220 -13.919 7.422 1.00 0.00 C ATOM 332 C LYS A 20 6.293 -12.856 7.261 1.00 0.00 C ATOM 333 O LYS A 20 7.444 -13.059 7.645 1.00 0.00 O ATOM 334 CB LYS A 20 4.555 -13.772 8.788 1.00 0.00 C ATOM 335 CG LYS A 20 3.332 -14.686 8.857 1.00 0.00 C ATOM 336 CD LYS A 20 2.662 -14.537 10.222 1.00 0.00 C ATOM 337 CE LYS A 20 1.392 -15.388 10.264 1.00 0.00 C ATOM 338 NZ LYS A 20 1.753 -16.827 10.129 1.00 0.00 N ATOM 0 H LYS A 20 6.589 -15.438 7.909 1.00 0.00 H new ATOM 0 HA LYS A 20 4.475 -13.786 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.260 -14.030 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.258 -12.736 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.628 -14.430 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.630 -15.722 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.347 -14.848 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.418 -13.491 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.861 -15.222 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.718 -15.094 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.954 -17.416 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.972 -17.038 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.585 -17.033 10.718 1.00 0.00 H new ATOM 352 N ILE A 21 5.907 -11.717 6.691 1.00 0.00 N ATOM 353 CA ILE A 21 6.840 -10.609 6.480 1.00 0.00 C ATOM 354 C ILE A 21 6.219 -9.299 6.962 1.00 0.00 C ATOM 355 O ILE A 21 5.015 -9.056 6.793 1.00 0.00 O ATOM 356 CB ILE A 21 7.200 -10.501 4.994 1.00 0.00 C ATOM 357 CG1 ILE A 21 8.348 -9.498 4.813 1.00 0.00 C ATOM 358 CG2 ILE A 21 5.983 -10.018 4.202 1.00 0.00 C ATOM 359 CD1 ILE A 21 9.637 -10.018 5.474 1.00 0.00 C ATOM 0 H ILE A 21 4.957 -11.536 6.367 1.00 0.00 H new ATOM 0 HA ILE A 21 7.748 -10.801 7.052 1.00 0.00 H new ATOM 0 HB ILE A 21 7.508 -11.481 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.522 -9.326 3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.071 -8.539 5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.243 -9.942 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.164 -10.727 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.674 -9.040 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.437 -9.291 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.465 -10.166 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.923 -10.966 5.018 1.00 0.00 H new ATOM 371 N LYS A 22 7.051 -8.460 7.580 1.00 0.00 N ATOM 372 CA LYS A 22 6.588 -7.176 8.101 1.00 0.00 C ATOM 373 C LYS A 22 7.608 -6.082 7.804 1.00 0.00 C ATOM 374 O LYS A 22 7.620 -5.044 8.465 1.00 0.00 O ATOM 375 CB LYS A 22 6.393 -7.287 9.608 1.00 0.00 C ATOM 376 CG LYS A 22 5.388 -8.402 9.905 1.00 0.00 C ATOM 377 CD LYS A 22 5.153 -8.498 11.413 1.00 0.00 C ATOM 378 CE LYS A 22 4.160 -9.624 11.708 1.00 0.00 C ATOM 379 NZ LYS A 22 4.782 -10.933 11.358 1.00 0.00 N ATOM 0 H LYS A 22 8.043 -8.646 7.731 1.00 0.00 H new ATOM 0 HA LYS A 22 5.645 -6.918 7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.345 -7.500 10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.033 -6.340 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.447 -8.202 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.762 -9.352 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.096 -8.687 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.768 -7.551 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.880 -9.611 12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.245 -9.478 11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.270 -11.700 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.734 -11.076 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.777 -10.937 11.662 1.00 0.00 H new ATOM 393 N ILE A 23 8.480 -6.327 6.824 1.00 0.00 N ATOM 394 CA ILE A 23 9.518 -5.356 6.461 1.00 0.00 C ATOM 395 C ILE A 23 9.286 -4.815 5.060 1.00 0.00 C ATOM 396 O ILE A 23 9.671 -5.436 4.073 1.00 0.00 O ATOM 397 CB ILE A 23 10.886 -6.036 6.520 1.00 0.00 C ATOM 398 CG1 ILE A 23 11.134 -6.588 7.943 1.00 0.00 C ATOM 399 CG2 ILE A 23 11.972 -5.010 6.164 1.00 0.00 C ATOM 400 CD1 ILE A 23 12.085 -7.782 7.876 1.00 0.00 C ATOM 0 H ILE A 23 8.490 -7.183 6.270 1.00 0.00 H new ATOM 0 HA ILE A 23 9.480 -4.525 7.165 1.00 0.00 H new ATOM 0 HB ILE A 23 10.916 -6.862 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.558 -5.809 8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.189 -6.889 8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.951 -5.488 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.796 -4.627 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.941 -4.186 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.257 -8.167 8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.644 -8.564 7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.034 -7.468 7.441 1.00 0.00 H new ATOM 412 N THR A 24 8.658 -3.644 4.990 1.00 0.00 N ATOM 413 CA THR A 24 8.372 -2.999 3.707 1.00 0.00 C ATOM 414 C THR A 24 9.122 -1.682 3.605 1.00 0.00 C ATOM 415 O THR A 24 9.289 -0.968 4.593 1.00 0.00 O ATOM 416 CB THR A 24 6.869 -2.742 3.569 1.00 0.00 C ATOM 417 OG1 THR A 24 6.168 -3.973 3.677 1.00 0.00 O ATOM 418 CG2 THR A 24 6.583 -2.106 2.204 1.00 0.00 C ATOM 0 H THR A 24 8.337 -3.121 5.805 1.00 0.00 H new ATOM 0 HA THR A 24 8.698 -3.662 2.905 1.00 0.00 H new ATOM 0 HB THR A 24 6.540 -2.067 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.206 -3.810 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.513 -1.923 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.122 -1.162 2.122 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.910 -2.780 1.413 1.00 0.00 H new ATOM 426 N PHE A 25 9.584 -1.369 2.401 1.00 0.00 N ATOM 427 CA PHE A 25 10.327 -0.138 2.183 1.00 0.00 C ATOM 428 C PHE A 25 9.399 1.069 2.281 1.00 0.00 C ATOM 429 O PHE A 25 8.459 1.206 1.500 1.00 0.00 O ATOM 430 CB PHE A 25 10.988 -0.170 0.795 1.00 0.00 C ATOM 431 CG PHE A 25 12.177 0.766 0.771 1.00 0.00 C ATOM 432 CD1 PHE A 25 11.976 2.152 0.745 1.00 0.00 C ATOM 433 CD2 PHE A 25 13.476 0.246 0.782 1.00 0.00 C ATOM 434 CE1 PHE A 25 13.076 3.017 0.730 1.00 0.00 C ATOM 435 CE2 PHE A 25 14.576 1.111 0.768 1.00 0.00 C ATOM 436 CZ PHE A 25 14.377 2.497 0.740 1.00 0.00 C ATOM 0 H PHE A 25 9.458 -1.945 1.569 1.00 0.00 H new ATOM 0 HA PHE A 25 11.096 -0.053 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.308 -1.185 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.267 0.124 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.973 2.553 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.630 -0.823 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.922 4.086 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.579 0.710 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.226 3.165 0.726 1.00 0.00 H new ATOM 446 N ALA A 26 9.673 1.945 3.246 1.00 0.00 N ATOM 447 CA ALA A 26 8.860 3.145 3.443 1.00 0.00 C ATOM 448 C ALA A 26 9.545 4.355 2.817 1.00 0.00 C ATOM 449 O ALA A 26 10.653 4.723 3.206 1.00 0.00 O ATOM 450 CB ALA A 26 8.652 3.391 4.936 1.00 0.00 C ATOM 0 H ALA A 26 10.448 1.848 3.902 1.00 0.00 H new ATOM 0 HA ALA A 26 7.893 2.996 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.046 4.286 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.143 2.535 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.619 3.528 5.420 1.00 0.00 H new ATOM 456 N LEU A 27 8.880 4.964 1.842 1.00 0.00 N ATOM 457 CA LEU A 27 9.431 6.127 1.162 1.00 0.00 C ATOM 458 C LEU A 27 9.614 7.283 2.139 1.00 0.00 C ATOM 459 O LEU A 27 10.617 7.995 2.091 1.00 0.00 O ATOM 460 CB LEU A 27 8.497 6.559 0.030 1.00 0.00 C ATOM 461 CG LEU A 27 8.196 5.360 -0.878 1.00 0.00 C ATOM 462 CD1 LEU A 27 7.223 5.790 -1.981 1.00 0.00 C ATOM 463 CD2 LEU A 27 9.499 4.841 -1.508 1.00 0.00 C ATOM 0 H LEU A 27 7.962 4.672 1.507 1.00 0.00 H new ATOM 0 HA LEU A 27 10.403 5.857 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.570 6.957 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.958 7.359 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 27 7.746 4.563 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.007 4.940 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.297 6.147 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.672 6.590 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.278 3.990 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.958 5.633 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.186 4.532 -0.720 1.00 0.00 H new ATOM 475 N ASP A 28 8.638 7.465 3.020 1.00 0.00 N ATOM 476 CA ASP A 28 8.697 8.543 4.003 1.00 0.00 C ATOM 477 C ASP A 28 7.881 8.185 5.241 1.00 0.00 C ATOM 478 O ASP A 28 7.305 7.099 5.324 1.00 0.00 O ATOM 479 CB ASP A 28 8.157 9.837 3.389 1.00 0.00 C ATOM 480 CG ASP A 28 8.505 11.021 4.284 1.00 0.00 C ATOM 481 OD1 ASP A 28 9.538 10.966 4.930 1.00 0.00 O ATOM 482 OD2 ASP A 28 7.733 11.964 4.312 1.00 0.00 O ATOM 0 H ASP A 28 7.801 6.885 3.075 1.00 0.00 H new ATOM 0 HA ASP A 28 9.737 8.686 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.582 9.983 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.076 9.768 3.266 1.00 0.00 H new ATOM 487 N ALA A 29 7.840 9.100 6.201 1.00 0.00 N ATOM 488 CA ALA A 29 7.092 8.872 7.433 1.00 0.00 C ATOM 489 C ALA A 29 5.604 8.712 7.139 1.00 0.00 C ATOM 490 O ALA A 29 4.917 7.908 7.771 1.00 0.00 O ATOM 491 CB ALA A 29 7.299 10.047 8.391 1.00 0.00 C ATOM 0 H ALA A 29 8.313 10.003 6.152 1.00 0.00 H new ATOM 0 HA ALA A 29 7.459 7.955 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.738 9.871 9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.359 10.142 8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.947 10.966 7.921 1.00 0.00 H new ATOM 497 N THR A 30 5.110 9.482 6.184 1.00 0.00 N ATOM 498 CA THR A 30 3.699 9.417 5.826 1.00 0.00 C ATOM 499 C THR A 30 3.336 8.010 5.375 1.00 0.00 C ATOM 500 O THR A 30 2.349 7.433 5.834 1.00 0.00 O ATOM 501 CB THR A 30 3.402 10.415 4.693 1.00 0.00 C ATOM 502 OG1 THR A 30 3.547 9.758 3.440 1.00 0.00 O ATOM 503 CG2 THR A 30 4.385 11.586 4.765 1.00 0.00 C ATOM 0 H THR A 30 5.657 10.154 5.646 1.00 0.00 H new ATOM 0 HA THR A 30 3.102 9.675 6.701 1.00 0.00 H new ATOM 0 HB THR A 30 2.384 10.790 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.676 10.425 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.171 12.290 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.281 12.090 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.404 11.213 4.659 1.00 0.00 H new ATOM 511 N PHE A 31 4.151 7.454 4.489 1.00 0.00 N ATOM 512 CA PHE A 31 3.909 6.108 3.994 1.00 0.00 C ATOM 513 C PHE A 31 4.311 5.075 5.043 1.00 0.00 C ATOM 514 O PHE A 31 4.075 3.881 4.872 1.00 0.00 O ATOM 515 CB PHE A 31 4.718 5.872 2.703 1.00 0.00 C ATOM 516 CG PHE A 31 3.988 6.455 1.515 1.00 0.00 C ATOM 517 CD1 PHE A 31 2.753 5.922 1.134 1.00 0.00 C ATOM 518 CD2 PHE A 31 4.545 7.518 0.790 1.00 0.00 C ATOM 519 CE1 PHE A 31 2.071 6.450 0.036 1.00 0.00 C ATOM 520 CE2 PHE A 31 3.862 8.046 -0.312 1.00 0.00 C ATOM 521 CZ PHE A 31 2.626 7.512 -0.688 1.00 0.00 C ATOM 0 H PHE A 31 4.977 7.910 4.102 1.00 0.00 H new ATOM 0 HA PHE A 31 2.845 6.002 3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.703 6.330 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.875 4.804 2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.326 5.100 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.500 7.929 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.115 6.039 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.290 8.865 -0.871 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.099 7.919 -1.538 1.00 0.00 H new ATOM 531 N ASP A 32 4.872 5.546 6.149 1.00 0.00 N ATOM 532 CA ASP A 32 5.281 4.648 7.227 1.00 0.00 C ATOM 533 C ASP A 32 4.105 4.360 8.150 1.00 0.00 C ATOM 534 O ASP A 32 3.700 3.207 8.314 1.00 0.00 O ATOM 535 CB ASP A 32 6.424 5.280 8.023 1.00 0.00 C ATOM 536 CG ASP A 32 7.084 4.237 8.919 1.00 0.00 C ATOM 537 OD1 ASP A 32 6.954 3.061 8.622 1.00 0.00 O ATOM 538 OD2 ASP A 32 7.711 4.633 9.889 1.00 0.00 O ATOM 0 H ASP A 32 5.054 6.534 6.325 1.00 0.00 H new ATOM 0 HA ASP A 32 5.623 3.709 6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.162 5.702 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.043 6.102 8.629 1.00 0.00 H new ATOM 543 N SER A 33 3.547 5.411 8.737 1.00 0.00 N ATOM 544 CA SER A 33 2.405 5.249 9.626 1.00 0.00 C ATOM 545 C SER A 33 1.184 4.814 8.828 1.00 0.00 C ATOM 546 O SER A 33 0.383 3.999 9.292 1.00 0.00 O ATOM 547 CB SER A 33 2.113 6.559 10.355 1.00 0.00 C ATOM 548 OG SER A 33 1.845 7.578 9.404 1.00 0.00 O ATOM 0 H SER A 33 3.862 6.373 8.616 1.00 0.00 H new ATOM 0 HA SER A 33 2.640 4.482 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.260 6.435 11.021 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.964 6.840 10.976 1.00 0.00 H new ATOM 0 HG SER A 33 1.656 8.419 9.870 1.00 0.00 H new ATOM 554 N VAL A 34 1.051 5.355 7.617 1.00 0.00 N ATOM 555 CA VAL A 34 -0.075 5.002 6.763 1.00 0.00 C ATOM 556 C VAL A 34 0.005 3.534 6.366 1.00 0.00 C ATOM 557 O VAL A 34 -0.984 2.804 6.462 1.00 0.00 O ATOM 558 CB VAL A 34 -0.072 5.873 5.506 1.00 0.00 C ATOM 559 CG1 VAL A 34 -1.150 5.388 4.532 1.00 0.00 C ATOM 560 CG2 VAL A 34 -0.349 7.330 5.894 1.00 0.00 C ATOM 0 H VAL A 34 1.701 6.029 7.213 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.998 5.172 7.317 1.00 0.00 H new ATOM 0 HB VAL A 34 0.903 5.802 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.142 6.013 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.949 4.354 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.127 5.451 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.347 7.952 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.322 7.398 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.425 7.678 6.579 1.00 0.00 H new ATOM 570 N LEU A 35 1.185 3.096 5.927 1.00 0.00 N ATOM 571 CA LEU A 35 1.346 1.706 5.531 1.00 0.00 C ATOM 572 C LEU A 35 1.117 0.783 6.719 1.00 0.00 C ATOM 573 O LEU A 35 0.489 -0.267 6.590 1.00 0.00 O ATOM 574 CB LEU A 35 2.749 1.483 4.963 1.00 0.00 C ATOM 575 CG LEU A 35 2.960 0.004 4.611 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.885 -0.465 3.617 1.00 0.00 C ATOM 577 CD2 LEU A 35 4.348 -0.163 3.993 1.00 0.00 C ATOM 0 H LEU A 35 2.023 3.671 5.839 1.00 0.00 H new ATOM 0 HA LEU A 35 0.607 1.477 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.889 2.098 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.496 1.800 5.691 1.00 0.00 H new ATOM 0 HG LEU A 35 2.881 -0.600 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.046 -1.516 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.898 -0.343 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.947 0.130 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.509 -1.211 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.420 0.445 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.106 0.158 4.708 1.00 0.00 H new ATOM 589 N SER A 36 1.647 1.171 7.874 1.00 0.00 N ATOM 590 CA SER A 36 1.506 0.355 9.073 1.00 0.00 C ATOM 591 C SER A 36 0.037 0.136 9.413 1.00 0.00 C ATOM 592 O SER A 36 -0.399 -0.995 9.616 1.00 0.00 O ATOM 593 CB SER A 36 2.200 1.044 10.247 1.00 0.00 C ATOM 594 OG SER A 36 1.749 0.466 11.462 1.00 0.00 O ATOM 0 H SER A 36 2.172 2.036 8.005 1.00 0.00 H new ATOM 0 HA SER A 36 1.968 -0.614 8.884 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.281 0.937 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.984 2.112 10.236 1.00 0.00 H new ATOM 0 HG SER A 36 2.193 0.904 12.218 1.00 0.00 H new ATOM 600 N LYS A 37 -0.723 1.219 9.454 1.00 0.00 N ATOM 601 CA LYS A 37 -2.144 1.127 9.755 1.00 0.00 C ATOM 602 C LYS A 37 -2.877 0.352 8.665 1.00 0.00 C ATOM 603 O LYS A 37 -3.843 -0.360 8.939 1.00 0.00 O ATOM 604 CB LYS A 37 -2.744 2.528 9.890 1.00 0.00 C ATOM 605 CG LYS A 37 -2.199 3.191 11.157 1.00 0.00 C ATOM 606 CD LYS A 37 -2.786 4.598 11.287 1.00 0.00 C ATOM 607 CE LYS A 37 -2.187 5.290 12.512 1.00 0.00 C ATOM 608 NZ LYS A 37 -2.467 4.477 13.731 1.00 0.00 N ATOM 0 H LYS A 37 -0.384 2.166 9.284 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.261 0.594 10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.495 3.129 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.831 2.468 9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.457 2.595 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.111 3.241 11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.572 5.177 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.871 4.544 11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.112 5.413 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.611 6.288 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.342 5.067 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.445 4.124 13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.810 3.672 13.770 1.00 0.00 H new ATOM 622 N ALA A 38 -2.413 0.504 7.432 1.00 0.00 N ATOM 623 CA ALA A 38 -3.031 -0.180 6.302 1.00 0.00 C ATOM 624 C ALA A 38 -3.027 -1.688 6.508 1.00 0.00 C ATOM 625 O ALA A 38 -3.869 -2.399 5.960 1.00 0.00 O ATOM 626 CB ALA A 38 -2.283 0.158 5.013 1.00 0.00 C ATOM 0 H ALA A 38 -1.615 1.091 7.188 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.064 0.159 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.752 -0.357 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.319 1.234 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.245 -0.161 5.101 1.00 0.00 H new ATOM 632 N CYS A 39 -2.081 -2.167 7.305 1.00 0.00 N ATOM 633 CA CYS A 39 -1.981 -3.596 7.578 1.00 0.00 C ATOM 634 C CYS A 39 -0.913 -3.864 8.634 1.00 0.00 C ATOM 635 O CYS A 39 -1.144 -4.600 9.592 1.00 0.00 O ATOM 636 CB CYS A 39 -1.640 -4.356 6.288 1.00 0.00 C ATOM 637 SG CYS A 39 -2.152 -6.083 6.458 1.00 0.00 S ATOM 0 H CYS A 39 -1.377 -1.594 7.770 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.942 -3.944 7.955 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.145 -3.897 5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.569 -4.300 6.091 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.163 -6.785 6.925 1.00 0.00 H new ATOM 643 N SER A 40 0.261 -3.264 8.447 1.00 0.00 N ATOM 644 CA SER A 40 1.369 -3.448 9.383 1.00 0.00 C ATOM 645 C SER A 40 1.753 -4.920 9.479 1.00 0.00 C ATOM 646 O SER A 40 2.710 -5.273 10.167 1.00 0.00 O ATOM 647 CB SER A 40 0.986 -2.920 10.780 1.00 0.00 C ATOM 648 OG SER A 40 1.566 -3.751 11.778 1.00 0.00 O ATOM 0 H SER A 40 0.469 -2.649 7.660 1.00 0.00 H new ATOM 0 HA SER A 40 2.224 -2.884 9.010 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.333 -1.894 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.098 -2.905 10.890 1.00 0.00 H new ATOM 0 HG SER A 40 2.387 -4.157 11.429 1.00 0.00 H new ATOM 654 N GLU A 41 1.003 -5.781 8.794 1.00 0.00 N ATOM 655 CA GLU A 41 1.275 -7.213 8.818 1.00 0.00 C ATOM 656 C GLU A 41 0.980 -7.825 7.458 1.00 0.00 C ATOM 657 O GLU A 41 -0.167 -7.827 7.009 1.00 0.00 O ATOM 658 CB GLU A 41 0.404 -7.890 9.881 1.00 0.00 C ATOM 659 CG GLU A 41 0.830 -7.413 11.272 1.00 0.00 C ATOM 660 CD GLU A 41 -0.010 -8.103 12.340 1.00 0.00 C ATOM 661 OE1 GLU A 41 -1.204 -8.236 12.134 1.00 0.00 O ATOM 662 OE2 GLU A 41 0.556 -8.485 13.352 1.00 0.00 O ATOM 0 H GLU A 41 0.205 -5.511 8.218 1.00 0.00 H new ATOM 0 HA GLU A 41 2.327 -7.366 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.646 -7.654 9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.502 -8.973 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.886 -7.630 11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.712 -6.332 11.347 1.00 0.00 H new ATOM 669 N PHE A 42 2.019 -8.346 6.797 1.00 0.00 N ATOM 670 CA PHE A 42 1.848 -8.956 5.480 1.00 0.00 C ATOM 671 C PHE A 42 2.319 -10.401 5.510 1.00 0.00 C ATOM 672 O PHE A 42 3.386 -10.703 6.041 1.00 0.00 O ATOM 673 CB PHE A 42 2.657 -8.178 4.445 1.00 0.00 C ATOM 674 CG PHE A 42 2.097 -6.779 4.318 1.00 0.00 C ATOM 675 CD1 PHE A 42 0.870 -6.575 3.677 1.00 0.00 C ATOM 676 CD2 PHE A 42 2.803 -5.687 4.842 1.00 0.00 C ATOM 677 CE1 PHE A 42 0.349 -5.283 3.558 1.00 0.00 C ATOM 678 CE2 PHE A 42 2.282 -4.393 4.720 1.00 0.00 C ATOM 679 CZ PHE A 42 1.054 -4.191 4.080 1.00 0.00 C ATOM 0 H PHE A 42 2.976 -8.357 7.150 1.00 0.00 H new ATOM 0 HA PHE A 42 0.792 -8.930 5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.705 -8.137 4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.619 -8.686 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.325 -7.416 3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.749 -5.844 5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.598 -5.127 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.828 -3.551 5.120 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.650 -3.194 3.989 1.00 0.00 H new ATOM 689 N GLU A 43 1.510 -11.297 4.948 1.00 0.00 N ATOM 690 CA GLU A 43 1.855 -12.716 4.918 1.00 0.00 C ATOM 691 C GLU A 43 2.522 -13.062 3.591 1.00 0.00 C ATOM 692 O GLU A 43 2.326 -12.372 2.589 1.00 0.00 O ATOM 693 CB GLU A 43 0.595 -13.565 5.101 1.00 0.00 C ATOM 694 CG GLU A 43 0.986 -15.041 5.214 1.00 0.00 C ATOM 695 CD GLU A 43 -0.238 -15.881 5.556 1.00 0.00 C ATOM 696 OE1 GLU A 43 -1.228 -15.306 5.976 1.00 0.00 O ATOM 697 OE2 GLU A 43 -0.169 -17.087 5.387 1.00 0.00 O ATOM 0 H GLU A 43 0.618 -11.068 4.510 1.00 0.00 H new ATOM 0 HA GLU A 43 2.549 -12.928 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.058 -13.250 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.080 -13.420 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.421 -15.383 4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.749 -15.166 5.983 1.00 0.00 H new ATOM 704 N VAL A 44 3.303 -14.140 3.591 1.00 0.00 N ATOM 705 CA VAL A 44 3.993 -14.585 2.380 1.00 0.00 C ATOM 706 C VAL A 44 3.852 -16.096 2.200 1.00 0.00 C ATOM 707 O VAL A 44 4.313 -16.894 3.025 1.00 0.00 O ATOM 708 CB VAL A 44 5.478 -14.206 2.453 1.00 0.00 C ATOM 709 CG1 VAL A 44 5.632 -12.699 2.242 1.00 0.00 C ATOM 710 CG2 VAL A 44 6.033 -14.568 3.827 1.00 0.00 C ATOM 0 H VAL A 44 3.474 -14.720 4.412 1.00 0.00 H new ATOM 0 HA VAL A 44 3.536 -14.090 1.523 1.00 0.00 H new ATOM 0 HB VAL A 44 6.022 -14.748 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.687 -12.430 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.236 -12.426 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.083 -12.165 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.088 -14.298 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.483 -14.025 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.925 -15.640 3.992 1.00 0.00 H new ATOM 720 N ASP A 45 3.193 -16.484 1.113 1.00 0.00 N ATOM 721 CA ASP A 45 2.981 -17.899 0.825 1.00 0.00 C ATOM 722 C ASP A 45 2.954 -18.133 -0.675 1.00 0.00 C ATOM 723 O ASP A 45 2.717 -17.209 -1.454 1.00 0.00 O ATOM 724 CB ASP A 45 1.659 -18.370 1.429 1.00 0.00 C ATOM 725 CG ASP A 45 1.561 -19.887 1.322 1.00 0.00 C ATOM 726 OD1 ASP A 45 2.571 -20.508 1.033 1.00 0.00 O ATOM 727 OD2 ASP A 45 0.478 -20.409 1.531 1.00 0.00 O ATOM 0 H ASP A 45 2.799 -15.845 0.422 1.00 0.00 H new ATOM 0 HA ASP A 45 3.803 -18.464 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.595 -18.064 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.823 -17.904 0.908 1.00 0.00 H new ATOM 732 N LYS A 46 3.185 -19.376 -1.078 1.00 0.00 N ATOM 733 CA LYS A 46 3.175 -19.719 -2.497 1.00 0.00 C ATOM 734 C LYS A 46 1.802 -19.433 -3.114 1.00 0.00 C ATOM 735 O LYS A 46 1.513 -19.858 -4.233 1.00 0.00 O ATOM 736 CB LYS A 46 3.518 -21.208 -2.677 1.00 0.00 C ATOM 737 CG LYS A 46 4.042 -21.461 -4.097 1.00 0.00 C ATOM 738 CD LYS A 46 4.506 -22.912 -4.221 1.00 0.00 C ATOM 739 CE LYS A 46 5.082 -23.138 -5.619 1.00 0.00 C ATOM 740 NZ LYS A 46 3.992 -23.037 -6.629 1.00 0.00 N ATOM 0 H LYS A 46 3.380 -20.157 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 46 3.921 -19.107 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.269 -21.507 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.633 -21.818 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.259 -21.255 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.868 -20.784 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.259 -23.131 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.671 -23.590 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.856 -22.399 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.554 -24.119 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.307 -23.464 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.150 -23.540 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.757 -22.036 -6.787 1.00 0.00 H new ATOM 754 N ASP A 47 0.959 -18.701 -2.387 1.00 0.00 N ATOM 755 CA ASP A 47 -0.375 -18.356 -2.873 1.00 0.00 C ATOM 756 C ASP A 47 -0.422 -16.893 -3.300 1.00 0.00 C ATOM 757 O ASP A 47 -1.080 -16.545 -4.281 1.00 0.00 O ATOM 758 CB ASP A 47 -1.399 -18.601 -1.768 1.00 0.00 C ATOM 759 CG ASP A 47 -1.574 -20.100 -1.551 1.00 0.00 C ATOM 760 OD1 ASP A 47 -1.122 -20.857 -2.395 1.00 0.00 O ATOM 761 OD2 ASP A 47 -2.158 -20.470 -0.546 1.00 0.00 O ATOM 0 H ASP A 47 1.177 -18.336 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.610 -18.981 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.071 -18.126 -0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.354 -18.149 -2.037 1.00 0.00 H new ATOM 766 N VAL A 48 0.283 -16.037 -2.559 1.00 0.00 N ATOM 767 CA VAL A 48 0.312 -14.606 -2.871 1.00 0.00 C ATOM 768 C VAL A 48 1.578 -14.258 -3.642 1.00 0.00 C ATOM 769 O VAL A 48 2.679 -14.266 -3.090 1.00 0.00 O ATOM 770 CB VAL A 48 0.265 -13.789 -1.581 1.00 0.00 C ATOM 771 CG1 VAL A 48 0.000 -12.320 -1.917 1.00 0.00 C ATOM 772 CG2 VAL A 48 -0.858 -14.319 -0.685 1.00 0.00 C ATOM 0 H VAL A 48 0.837 -16.305 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.557 -14.368 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 48 1.218 -13.875 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.034 -11.737 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.798 -11.943 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.954 -12.232 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.894 -13.738 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.811 -14.232 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.670 -15.366 -0.446 1.00 0.00 H new ATOM 782 N THR A 49 1.410 -13.953 -4.925 1.00 0.00 N ATOM 783 CA THR A 49 2.544 -13.597 -5.772 1.00 0.00 C ATOM 784 C THR A 49 2.840 -12.104 -5.662 1.00 0.00 C ATOM 785 O THR A 49 2.033 -11.334 -5.143 1.00 0.00 O ATOM 786 CB THR A 49 2.245 -13.958 -7.226 1.00 0.00 C ATOM 787 OG1 THR A 49 0.983 -13.421 -7.598 1.00 0.00 O ATOM 788 CG2 THR A 49 2.214 -15.480 -7.382 1.00 0.00 C ATOM 0 H THR A 49 0.507 -13.945 -5.399 1.00 0.00 H new ATOM 0 HA THR A 49 3.418 -14.156 -5.436 1.00 0.00 H new ATOM 0 HB THR A 49 3.022 -13.543 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.000 -13.173 -8.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.001 -15.735 -8.420 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.181 -15.895 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.438 -15.896 -6.739 1.00 0.00 H new ATOM 796 N LEU A 50 4.005 -11.709 -6.148 1.00 0.00 N ATOM 797 CA LEU A 50 4.413 -10.308 -6.098 1.00 0.00 C ATOM 798 C LEU A 50 3.285 -9.409 -6.604 1.00 0.00 C ATOM 799 O LEU A 50 2.990 -8.376 -6.002 1.00 0.00 O ATOM 800 CB LEU A 50 5.669 -10.095 -6.968 1.00 0.00 C ATOM 801 CG LEU A 50 5.611 -11.010 -8.225 1.00 0.00 C ATOM 802 CD1 LEU A 50 6.184 -10.273 -9.443 1.00 0.00 C ATOM 803 CD2 LEU A 50 6.428 -12.292 -7.987 1.00 0.00 C ATOM 0 H LEU A 50 4.685 -12.333 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 50 4.639 -10.048 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.737 -9.050 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.565 -10.317 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 50 4.569 -11.270 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.138 -10.923 -10.317 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.600 -9.372 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.221 -10.000 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.380 -12.924 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.466 -12.029 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.017 -12.832 -7.134 1.00 0.00 H new ATOM 815 N ASP A 51 2.662 -9.804 -7.707 1.00 0.00 N ATOM 816 CA ASP A 51 1.576 -9.018 -8.282 1.00 0.00 C ATOM 817 C ASP A 51 0.469 -8.812 -7.255 1.00 0.00 C ATOM 818 O ASP A 51 -0.058 -7.710 -7.100 1.00 0.00 O ATOM 819 CB ASP A 51 1.018 -9.730 -9.519 1.00 0.00 C ATOM 820 CG ASP A 51 0.910 -11.225 -9.249 1.00 0.00 C ATOM 821 OD1 ASP A 51 1.942 -11.850 -9.074 1.00 0.00 O ATOM 822 OD2 ASP A 51 -0.203 -11.725 -9.222 1.00 0.00 O ATOM 0 H ASP A 51 2.887 -10.657 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 51 1.965 -8.043 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.038 -9.325 -9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.667 -9.552 -10.376 1.00 0.00 H new ATOM 827 N GLU A 52 0.124 -9.877 -6.551 1.00 0.00 N ATOM 828 CA GLU A 52 -0.912 -9.789 -5.538 1.00 0.00 C ATOM 829 C GLU A 52 -0.395 -9.036 -4.317 1.00 0.00 C ATOM 830 O GLU A 52 -1.165 -8.416 -3.590 1.00 0.00 O ATOM 831 CB GLU A 52 -1.371 -11.188 -5.130 1.00 0.00 C ATOM 832 CG GLU A 52 -2.092 -11.844 -6.308 1.00 0.00 C ATOM 833 CD GLU A 52 -2.528 -13.255 -5.934 1.00 0.00 C ATOM 834 OE1 GLU A 52 -2.356 -13.621 -4.782 1.00 0.00 O ATOM 835 OE2 GLU A 52 -3.027 -13.950 -6.802 1.00 0.00 O ATOM 0 H GLU A 52 0.541 -10.802 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.760 -9.245 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.514 -11.792 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.036 -11.129 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.961 -11.249 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.433 -11.876 -7.176 1.00 0.00 H new ATOM 842 N LEU A 53 0.910 -9.109 -4.082 1.00 0.00 N ATOM 843 CA LEU A 53 1.491 -8.438 -2.928 1.00 0.00 C ATOM 844 C LEU A 53 1.361 -6.924 -3.047 1.00 0.00 C ATOM 845 O LEU A 53 0.833 -6.265 -2.158 1.00 0.00 O ATOM 846 CB LEU A 53 2.974 -8.813 -2.805 1.00 0.00 C ATOM 847 CG LEU A 53 3.597 -8.138 -1.569 1.00 0.00 C ATOM 848 CD1 LEU A 53 2.864 -8.582 -0.290 1.00 0.00 C ATOM 849 CD2 LEU A 53 5.074 -8.525 -1.482 1.00 0.00 C ATOM 0 H LEU A 53 1.575 -9.617 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 53 0.949 -8.762 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.077 -9.895 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.509 -8.506 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 53 3.503 -7.056 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.316 -8.097 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.813 -8.300 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.944 -9.664 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.523 -8.051 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.162 -9.608 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.591 -8.192 -2.382 1.00 0.00 H new ATOM 861 N LEU A 54 1.842 -6.378 -4.150 1.00 0.00 N ATOM 862 CA LEU A 54 1.771 -4.940 -4.364 1.00 0.00 C ATOM 863 C LEU A 54 0.325 -4.505 -4.549 1.00 0.00 C ATOM 864 O LEU A 54 -0.087 -3.452 -4.058 1.00 0.00 O ATOM 865 CB LEU A 54 2.611 -4.553 -5.588 1.00 0.00 C ATOM 866 CG LEU A 54 2.064 -5.258 -6.857 1.00 0.00 C ATOM 867 CD1 LEU A 54 1.144 -4.312 -7.651 1.00 0.00 C ATOM 868 CD2 LEU A 54 3.228 -5.699 -7.759 1.00 0.00 C ATOM 0 H LEU A 54 2.283 -6.902 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 54 2.173 -4.430 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.590 -3.472 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.652 -4.833 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 54 1.492 -6.130 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.771 -4.826 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.304 -4.012 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.705 -3.428 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.833 -6.193 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.808 -4.826 -8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.869 -6.392 -7.213 1.00 0.00 H new ATOM 880 N ASP A 55 -0.442 -5.315 -5.274 1.00 0.00 N ATOM 881 CA ASP A 55 -1.840 -4.995 -5.528 1.00 0.00 C ATOM 882 C ASP A 55 -2.633 -4.965 -4.225 1.00 0.00 C ATOM 883 O ASP A 55 -3.432 -4.060 -3.993 1.00 0.00 O ATOM 884 CB ASP A 55 -2.448 -6.032 -6.469 1.00 0.00 C ATOM 885 CG ASP A 55 -3.831 -5.578 -6.929 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.794 -5.903 -6.252 1.00 0.00 O ATOM 887 OD2 ASP A 55 -3.908 -4.917 -7.951 1.00 0.00 O ATOM 0 H ASP A 55 -0.122 -6.189 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.887 -4.009 -5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.798 -6.176 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.523 -6.994 -5.962 1.00 0.00 H new ATOM 892 N VAL A 56 -2.398 -5.963 -3.376 1.00 0.00 N ATOM 893 CA VAL A 56 -3.089 -6.046 -2.098 1.00 0.00 C ATOM 894 C VAL A 56 -2.620 -4.943 -1.160 1.00 0.00 C ATOM 895 O VAL A 56 -3.422 -4.314 -0.471 1.00 0.00 O ATOM 896 CB VAL A 56 -2.849 -7.420 -1.460 1.00 0.00 C ATOM 897 CG1 VAL A 56 -3.388 -7.426 -0.023 1.00 0.00 C ATOM 898 CG2 VAL A 56 -3.574 -8.502 -2.280 1.00 0.00 C ATOM 0 H VAL A 56 -1.737 -6.720 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.157 -5.916 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.779 -7.627 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.215 -8.404 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.875 -6.662 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.457 -7.216 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.403 -9.478 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.643 -8.291 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.190 -8.504 -3.300 1.00 0.00 H new ATOM 908 N VAL A 57 -1.312 -4.718 -1.129 1.00 0.00 N ATOM 909 CA VAL A 57 -0.750 -3.695 -0.261 1.00 0.00 C ATOM 910 C VAL A 57 -1.283 -2.322 -0.643 1.00 0.00 C ATOM 911 O VAL A 57 -1.719 -1.553 0.215 1.00 0.00 O ATOM 912 CB VAL A 57 0.779 -3.712 -0.375 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.368 -2.511 0.377 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.332 -5.029 0.218 1.00 0.00 C ATOM 0 H VAL A 57 -0.628 -5.226 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.041 -3.905 0.768 1.00 0.00 H new ATOM 0 HB VAL A 57 1.063 -3.648 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.455 -2.527 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.984 -1.587 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.084 -2.565 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.419 -5.037 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.048 -5.103 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.920 -5.876 -0.330 1.00 0.00 H new ATOM 924 N LEU A 58 -1.251 -2.017 -1.934 1.00 0.00 N ATOM 925 CA LEU A 58 -1.737 -0.729 -2.399 1.00 0.00 C ATOM 926 C LEU A 58 -3.231 -0.603 -2.124 1.00 0.00 C ATOM 927 O LEU A 58 -3.681 0.366 -1.511 1.00 0.00 O ATOM 928 CB LEU A 58 -1.458 -0.591 -3.896 1.00 0.00 C ATOM 929 CG LEU A 58 -1.948 0.783 -4.404 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.199 1.143 -5.694 1.00 0.00 C ATOM 931 CD2 LEU A 58 -3.482 0.773 -4.659 1.00 0.00 C ATOM 0 H LEU A 58 -0.899 -2.634 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.220 0.068 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.390 -0.698 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.960 -1.389 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.743 1.532 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.542 2.112 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.129 1.189 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.393 0.384 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.798 1.753 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.721 0.019 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.004 0.539 -3.731 1.00 0.00 H new ATOM 943 N ASP A 59 -3.992 -1.586 -2.584 1.00 0.00 N ATOM 944 CA ASP A 59 -5.437 -1.572 -2.392 1.00 0.00 C ATOM 945 C ASP A 59 -5.758 -1.357 -0.920 1.00 0.00 C ATOM 946 O ASP A 59 -6.696 -0.641 -0.576 1.00 0.00 O ATOM 947 CB ASP A 59 -6.048 -2.892 -2.866 1.00 0.00 C ATOM 948 CG ASP A 59 -7.570 -2.791 -2.890 1.00 0.00 C ATOM 949 OD1 ASP A 59 -8.087 -1.805 -2.389 1.00 0.00 O ATOM 950 OD2 ASP A 59 -8.196 -3.700 -3.409 1.00 0.00 O ATOM 0 H ASP A 59 -3.637 -2.398 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.862 -0.757 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.677 -3.136 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.741 -3.702 -2.204 1.00 0.00 H new ATOM 955 N ALA A 60 -4.966 -1.980 -0.052 1.00 0.00 N ATOM 956 CA ALA A 60 -5.170 -1.841 1.385 1.00 0.00 C ATOM 957 C ALA A 60 -4.954 -0.392 1.822 1.00 0.00 C ATOM 958 O ALA A 60 -5.780 0.182 2.538 1.00 0.00 O ATOM 959 CB ALA A 60 -4.192 -2.751 2.137 1.00 0.00 C ATOM 0 H ALA A 60 -4.185 -2.580 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.195 -2.130 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.348 -2.644 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.363 -3.788 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.169 -2.469 1.889 1.00 0.00 H new ATOM 965 N VAL A 61 -3.839 0.195 1.387 1.00 0.00 N ATOM 966 CA VAL A 61 -3.531 1.575 1.749 1.00 0.00 C ATOM 967 C VAL A 61 -4.594 2.524 1.207 1.00 0.00 C ATOM 968 O VAL A 61 -5.107 3.376 1.932 1.00 0.00 O ATOM 969 CB VAL A 61 -2.159 1.966 1.182 1.00 0.00 C ATOM 970 CG1 VAL A 61 -1.929 3.472 1.362 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.063 1.193 1.921 1.00 0.00 C ATOM 0 H VAL A 61 -3.144 -0.257 0.792 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.515 1.651 2.836 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.128 1.723 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.954 3.742 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.706 4.024 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.963 3.721 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.088 1.470 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.100 1.435 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.220 0.123 1.788 1.00 0.00 H new ATOM 981 N GLU A 62 -4.916 2.379 -0.073 1.00 0.00 N ATOM 982 CA GLU A 62 -5.910 3.241 -0.697 1.00 0.00 C ATOM 983 C GLU A 62 -7.262 3.069 -0.021 1.00 0.00 C ATOM 984 O GLU A 62 -8.006 4.035 0.154 1.00 0.00 O ATOM 985 CB GLU A 62 -6.031 2.895 -2.181 1.00 0.00 C ATOM 986 CG GLU A 62 -6.960 3.898 -2.868 1.00 0.00 C ATOM 987 CD GLU A 62 -7.069 3.582 -4.356 1.00 0.00 C ATOM 988 OE1 GLU A 62 -6.657 2.501 -4.744 1.00 0.00 O ATOM 989 OE2 GLU A 62 -7.565 4.425 -5.086 1.00 0.00 O ATOM 0 H GLU A 62 -4.507 1.680 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.592 4.278 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.048 2.914 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.421 1.884 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.948 3.864 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.579 4.910 -2.731 1.00 0.00 H new ATOM 996 N SER A 63 -7.573 1.836 0.356 1.00 0.00 N ATOM 997 CA SER A 63 -8.839 1.548 1.013 1.00 0.00 C ATOM 998 C SER A 63 -8.950 2.323 2.320 1.00 0.00 C ATOM 999 O SER A 63 -9.988 2.918 2.612 1.00 0.00 O ATOM 1000 CB SER A 63 -8.948 0.052 1.301 1.00 0.00 C ATOM 1001 OG SER A 63 -10.005 -0.172 2.225 1.00 0.00 O ATOM 0 H SER A 63 -6.970 1.025 0.219 1.00 0.00 H new ATOM 0 HA SER A 63 -9.648 1.852 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.135 -0.495 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.008 -0.321 1.708 1.00 0.00 H new ATOM 0 HG SER A 63 -10.079 -1.131 2.411 1.00 0.00 H new ATOM 1007 N THR A 64 -7.875 2.317 3.103 1.00 0.00 N ATOM 1008 CA THR A 64 -7.876 3.033 4.373 1.00 0.00 C ATOM 1009 C THR A 64 -7.806 4.534 4.145 1.00 0.00 C ATOM 1010 O THR A 64 -8.483 5.304 4.825 1.00 0.00 O ATOM 1011 CB THR A 64 -6.686 2.591 5.222 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.496 2.702 4.452 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.877 1.140 5.669 1.00 0.00 C ATOM 0 H THR A 64 -7.005 1.832 2.885 1.00 0.00 H new ATOM 0 HA THR A 64 -8.804 2.800 4.896 1.00 0.00 H new ATOM 0 HB THR A 64 -6.613 3.227 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.727 2.899 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.025 0.831 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.790 1.058 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.952 0.496 4.793 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.984 4.947 3.179 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.834 6.370 2.866 1.00 0.00 C ATOM 1023 C LEU A 65 -7.495 6.695 1.533 1.00 0.00 C ATOM 1024 O LEU A 65 -6.971 6.360 0.470 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.349 6.741 2.805 1.00 0.00 C ATOM 1026 CG LEU A 65 -5.188 8.267 2.671 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -5.738 8.982 3.924 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -3.700 8.600 2.489 1.00 0.00 C ATOM 0 H LEU A 65 -6.417 4.324 2.604 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.319 6.948 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.842 6.392 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.876 6.242 1.959 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.752 8.612 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.616 10.059 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.796 8.747 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.191 8.645 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.578 9.679 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.140 8.247 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.325 8.111 1.590 1.00 0.00 H new ATOM 1040 N SER A 66 -8.635 7.371 1.599 1.00 0.00 N ATOM 1041 CA SER A 66 -9.358 7.766 0.395 1.00 0.00 C ATOM 1042 C SER A 66 -8.715 9.005 -0.231 1.00 0.00 C ATOM 1043 O SER A 66 -8.258 8.960 -1.376 1.00 0.00 O ATOM 1044 CB SER A 66 -10.830 8.057 0.740 1.00 0.00 C ATOM 1045 OG SER A 66 -11.258 9.243 0.074 1.00 0.00 O ATOM 0 H SER A 66 -9.079 7.657 2.472 1.00 0.00 H new ATOM 0 HA SER A 66 -9.313 6.948 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.456 7.216 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.944 8.173 1.818 1.00 0.00 H new ATOM 0 HG SER A 66 -12.196 9.422 0.296 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.671 10.106 0.487 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.065 11.374 -0.028 1.00 0.00 C ATOM 1053 C PRO A 67 -6.574 11.228 -0.315 1.00 0.00 C ATOM 1054 O PRO A 67 -5.824 10.687 0.498 1.00 0.00 O ATOM 1055 CB PRO A 67 -8.324 12.391 1.104 1.00 0.00 C ATOM 1056 CG PRO A 67 -8.509 11.559 2.332 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.185 10.277 1.861 1.00 0.00 C ATOM 0 HA PRO A 67 -8.499 11.678 -0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.487 13.080 1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.208 12.995 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.552 11.345 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.123 12.078 3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.926 9.429 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.271 10.366 1.876 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.144 11.731 -1.471 1.00 0.00 N ATOM 1066 CA CYS A 68 -4.733 11.671 -1.855 1.00 0.00 C ATOM 1067 C CYS A 68 -4.274 13.016 -2.414 1.00 0.00 C ATOM 1068 O CYS A 68 -3.142 13.442 -2.183 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.535 10.571 -2.904 1.00 0.00 C ATOM 1070 SG CYS A 68 -5.977 10.510 -3.998 1.00 0.00 S ATOM 0 H CYS A 68 -6.749 12.183 -2.156 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.135 11.443 -0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.633 10.766 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.397 9.607 -2.414 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.807 9.578 -4.889 1.00 0.00 H new ATOM 1076 N LYS A 69 -5.158 13.674 -3.159 1.00 0.00 N ATOM 1077 CA LYS A 69 -4.833 14.966 -3.756 1.00 0.00 C ATOM 1078 C LYS A 69 -4.679 16.034 -2.681 1.00 0.00 C ATOM 1079 O LYS A 69 -4.275 17.163 -2.966 1.00 0.00 O ATOM 1080 CB LYS A 69 -5.926 15.372 -4.744 1.00 0.00 C ATOM 1081 CG LYS A 69 -7.247 15.579 -3.998 1.00 0.00 C ATOM 1082 CD LYS A 69 -8.365 15.854 -5.005 1.00 0.00 C ATOM 1083 CE LYS A 69 -9.688 16.021 -4.257 1.00 0.00 C ATOM 1084 NZ LYS A 69 -9.594 17.187 -3.334 1.00 0.00 N ATOM 0 H LYS A 69 -6.099 13.337 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.885 14.873 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.641 16.289 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.045 14.602 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.485 14.695 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.157 16.413 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.141 16.754 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.438 15.033 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.502 16.170 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.917 15.116 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.550 17.512 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.089 16.906 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.077 17.959 -3.801 1.00 0.00 H new ATOM 1098 N GLU A 70 -5.016 15.678 -1.447 1.00 0.00 N ATOM 1099 CA GLU A 70 -4.923 16.619 -0.340 1.00 0.00 C ATOM 1100 C GLU A 70 -3.466 16.848 0.053 1.00 0.00 C ATOM 1101 O GLU A 70 -3.102 17.926 0.521 1.00 0.00 O ATOM 1102 CB GLU A 70 -5.705 16.086 0.863 1.00 0.00 C ATOM 1103 CG GLU A 70 -5.727 17.147 1.967 1.00 0.00 C ATOM 1104 CD GLU A 70 -6.558 16.652 3.146 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -7.307 15.707 2.964 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -6.432 17.227 4.216 1.00 0.00 O ATOM 0 H GLU A 70 -5.354 14.751 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.351 17.570 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.723 15.834 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.244 15.170 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.710 17.366 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.145 18.077 1.581 1.00 0.00 H new ATOM 1113 N HIS A 71 -2.635 15.825 -0.141 1.00 0.00 N ATOM 1114 CA HIS A 71 -1.213 15.916 0.197 1.00 0.00 C ATOM 1115 C HIS A 71 -0.401 16.375 -1.000 1.00 0.00 C ATOM 1116 O HIS A 71 -0.216 15.628 -1.955 1.00 0.00 O ATOM 1117 CB HIS A 71 -0.707 14.557 0.670 1.00 0.00 C ATOM 1118 CG HIS A 71 -1.553 14.073 1.820 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -2.649 13.241 1.633 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -1.478 14.293 3.174 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -3.180 12.994 2.846 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -2.505 13.610 3.818 1.00 0.00 N ATOM 0 H HIS A 71 -2.919 14.926 -0.529 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.096 16.648 0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.744 13.839 -0.149 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.335 14.634 0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.734 14.904 3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.047 12.372 3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.700 13.586 4.819 1.00 0.00 H new ATOM 1130 N ASP A 72 0.091 17.609 -0.933 1.00 0.00 N ATOM 1131 CA ASP A 72 0.895 18.157 -2.017 1.00 0.00 C ATOM 1132 C ASP A 72 2.212 17.398 -2.136 1.00 0.00 C ATOM 1133 O ASP A 72 2.595 16.971 -3.224 1.00 0.00 O ATOM 1134 CB ASP A 72 1.178 19.639 -1.759 1.00 0.00 C ATOM 1135 CG ASP A 72 1.794 19.820 -0.376 1.00 0.00 C ATOM 1136 OD1 ASP A 72 1.589 18.957 0.460 1.00 0.00 O ATOM 1137 OD2 ASP A 72 2.467 20.820 -0.177 1.00 0.00 O ATOM 0 H ASP A 72 -0.052 18.242 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 72 0.340 18.052 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.855 20.026 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.254 20.212 -1.832 1.00 0.00 H new ATOM 1142 N VAL A 73 2.893 17.226 -1.008 1.00 0.00 N ATOM 1143 CA VAL A 73 4.159 16.506 -0.999 1.00 0.00 C ATOM 1144 C VAL A 73 3.937 15.037 -1.334 1.00 0.00 C ATOM 1145 O VAL A 73 4.670 14.454 -2.134 1.00 0.00 O ATOM 1146 CB VAL A 73 4.823 16.627 0.375 1.00 0.00 C ATOM 1147 CG1 VAL A 73 6.267 16.129 0.293 1.00 0.00 C ATOM 1148 CG2 VAL A 73 4.811 18.090 0.819 1.00 0.00 C ATOM 0 H VAL A 73 2.592 17.572 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 73 4.812 16.945 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 73 4.274 16.023 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.738 16.216 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.275 15.086 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.819 16.730 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.284 18.177 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.359 18.694 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.782 18.443 0.881 1.00 0.00 H new ATOM 1158 N ILE A 74 2.915 14.440 -0.712 1.00 0.00 N ATOM 1159 CA ILE A 74 2.595 13.029 -0.942 1.00 0.00 C ATOM 1160 C ILE A 74 1.513 12.904 -2.015 1.00 0.00 C ATOM 1161 O ILE A 74 0.871 11.863 -2.144 1.00 0.00 O ATOM 1162 CB ILE A 74 2.116 12.370 0.364 1.00 0.00 C ATOM 1163 CG1 ILE A 74 2.864 12.981 1.556 1.00 0.00 C ATOM 1164 CG2 ILE A 74 2.378 10.858 0.320 1.00 0.00 C ATOM 1165 CD1 ILE A 74 4.382 12.816 1.376 1.00 0.00 C ATOM 0 H ILE A 74 2.299 14.910 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 74 3.496 12.519 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 74 1.046 12.545 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.615 14.038 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.546 12.498 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.035 10.402 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.839 10.420 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.446 10.677 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.899 13.254 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.627 11.756 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.697 13.320 0.463 1.00 0.00 H new ATOM 1177 N GLY A 75 1.343 13.964 -2.796 1.00 0.00 N ATOM 1178 CA GLY A 75 0.359 13.956 -3.878 1.00 0.00 C ATOM 1179 C GLY A 75 0.923 13.253 -5.112 1.00 0.00 C ATOM 1180 O GLY A 75 1.988 12.638 -5.060 1.00 0.00 O ATOM 0 H GLY A 75 1.867 14.834 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.549 13.451 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.080 14.979 -4.131 1.00 0.00 H new ATOM 1184 N THR A 76 0.194 13.353 -6.223 1.00 0.00 N ATOM 1185 CA THR A 76 0.614 12.729 -7.478 1.00 0.00 C ATOM 1186 C THR A 76 0.314 11.232 -7.459 1.00 0.00 C ATOM 1187 O THR A 76 0.116 10.603 -8.507 1.00 0.00 O ATOM 1188 CB THR A 76 2.120 12.964 -7.709 1.00 0.00 C ATOM 1189 OG1 THR A 76 2.498 14.196 -7.110 1.00 0.00 O ATOM 1190 CG2 THR A 76 2.422 13.006 -9.210 1.00 0.00 C ATOM 0 H THR A 76 -0.689 13.860 -6.280 1.00 0.00 H new ATOM 0 HA THR A 76 0.054 13.184 -8.295 1.00 0.00 H new ATOM 0 HB THR A 76 2.685 12.148 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.455 14.349 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.488 13.172 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.134 12.059 -9.666 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.859 13.817 -9.672 1.00 0.00 H new ATOM 1198 N LYS A 77 0.274 10.667 -6.262 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.007 9.252 -6.114 1.00 0.00 C ATOM 1200 C LYS A 77 -1.408 8.942 -6.610 1.00 0.00 C ATOM 1201 O LYS A 77 -1.778 7.786 -6.764 1.00 0.00 O ATOM 1202 CB LYS A 77 0.117 8.844 -4.645 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.882 9.642 -3.799 1.00 0.00 C ATOM 1204 CD LYS A 77 -0.837 9.157 -2.348 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.337 7.702 -2.251 1.00 0.00 C ATOM 1206 NZ LYS A 77 -0.182 6.773 -2.388 1.00 0.00 N ATOM 0 H LYS A 77 0.432 11.165 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 77 0.715 8.690 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.073 7.776 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.132 9.025 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.644 10.705 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.888 9.524 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.182 9.224 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.454 9.803 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.837 7.540 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.071 7.505 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.233 6.288 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.706 7.312 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.210 6.069 -1.623 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.186 9.986 -6.860 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.548 9.802 -7.335 1.00 0.00 C ATOM 1222 C VAL A 78 -3.543 9.302 -8.783 1.00 0.00 C ATOM 1223 O VAL A 78 -4.126 8.256 -9.104 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.316 11.129 -7.239 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -3.609 12.212 -8.068 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.744 10.933 -7.760 1.00 0.00 C ATOM 0 H VAL A 78 -1.901 10.958 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.042 9.057 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.347 11.446 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.163 13.148 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.597 12.357 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.565 11.900 -9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.289 11.875 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.710 10.608 -8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.250 10.177 -7.159 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.859 10.045 -9.650 1.00 0.00 N ATOM 1237 CA CYS A 79 -2.763 9.673 -11.051 1.00 0.00 C ATOM 1238 C CYS A 79 -1.908 8.424 -11.204 1.00 0.00 C ATOM 1239 O CYS A 79 -2.245 7.513 -11.966 1.00 0.00 O ATOM 1240 CB CYS A 79 -2.152 10.823 -11.858 1.00 0.00 C ATOM 1241 SG CYS A 79 -3.281 12.241 -11.840 1.00 0.00 S ATOM 0 H CYS A 79 -2.367 10.904 -9.404 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.764 9.465 -11.428 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.188 11.107 -11.435 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.968 10.504 -12.884 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.762 13.218 -12.523 1.00 0.00 H new ATOM 1247 N ALA A 80 -0.800 8.383 -10.469 1.00 0.00 N ATOM 1248 CA ALA A 80 0.090 7.233 -10.532 1.00 0.00 C ATOM 1249 C ALA A 80 -0.644 5.979 -10.086 1.00 0.00 C ATOM 1250 O ALA A 80 -0.634 4.968 -10.773 1.00 0.00 O ATOM 1251 CB ALA A 80 1.307 7.460 -9.637 1.00 0.00 C ATOM 0 H ALA A 80 -0.502 9.122 -9.832 1.00 0.00 H new ATOM 0 HA ALA A 80 0.422 7.106 -11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.966 6.593 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.845 8.347 -9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.980 7.602 -8.607 1.00 0.00 H new ATOM 1257 N LEU A 81 -1.297 6.057 -8.942 1.00 0.00 N ATOM 1258 CA LEU A 81 -2.035 4.917 -8.425 1.00 0.00 C ATOM 1259 C LEU A 81 -3.023 4.421 -9.461 1.00 0.00 C ATOM 1260 O LEU A 81 -3.172 3.218 -9.652 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.789 5.317 -7.149 1.00 0.00 C ATOM 1262 CG LEU A 81 -3.733 4.172 -6.686 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -3.699 4.055 -5.158 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -5.183 4.461 -7.127 1.00 0.00 C ATOM 0 H LEU A 81 -1.333 6.891 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.329 4.120 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.076 5.550 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.369 6.222 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.392 3.241 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.363 3.251 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.682 3.836 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.028 4.994 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.832 3.651 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.518 5.399 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.224 4.538 -8.213 1.00 0.00 H new ATOM 1276 N LEU A 82 -3.701 5.343 -10.131 1.00 0.00 N ATOM 1277 CA LEU A 82 -4.669 4.937 -11.142 1.00 0.00 C ATOM 1278 C LEU A 82 -3.980 4.128 -12.239 1.00 0.00 C ATOM 1279 O LEU A 82 -4.444 3.048 -12.620 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.321 6.183 -11.756 1.00 0.00 C ATOM 1281 CG LEU A 82 -6.347 5.782 -12.829 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -7.456 4.914 -12.206 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -6.953 7.051 -13.439 1.00 0.00 C ATOM 0 H LEU A 82 -3.604 6.350 -9.999 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.432 4.317 -10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.811 6.766 -10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.555 6.821 -12.197 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.852 5.202 -13.607 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.176 4.636 -12.976 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.016 4.013 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.962 5.477 -11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.682 6.776 -14.201 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.445 7.631 -12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.163 7.650 -13.892 1.00 0.00 H new ATOM 1295 N ASP A 83 -2.865 4.656 -12.742 1.00 0.00 N ATOM 1296 CA ASP A 83 -2.124 3.973 -13.797 1.00 0.00 C ATOM 1297 C ASP A 83 -1.546 2.658 -13.288 1.00 0.00 C ATOM 1298 O ASP A 83 -1.597 1.641 -13.971 1.00 0.00 O ATOM 1299 CB ASP A 83 -0.993 4.868 -14.300 1.00 0.00 C ATOM 1300 CG ASP A 83 -0.386 4.277 -15.570 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -0.698 3.138 -15.877 1.00 0.00 O ATOM 1302 OD2 ASP A 83 0.376 4.975 -16.218 1.00 0.00 O ATOM 0 H ASP A 83 -2.461 5.542 -12.440 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.812 3.758 -14.615 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.373 5.870 -14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.226 4.966 -13.532 1.00 0.00 H new ATOM 1307 N ARG A 84 -0.991 2.695 -12.085 1.00 0.00 N ATOM 1308 CA ARG A 84 -0.399 1.509 -11.483 1.00 0.00 C ATOM 1309 C ARG A 84 -1.464 0.436 -11.288 1.00 0.00 C ATOM 1310 O ARG A 84 -1.236 -0.736 -11.570 1.00 0.00 O ATOM 1311 CB ARG A 84 0.234 1.883 -10.123 1.00 0.00 C ATOM 1312 CG ARG A 84 1.723 2.208 -10.287 1.00 0.00 C ATOM 1313 CD ARG A 84 1.900 3.454 -11.149 1.00 0.00 C ATOM 1314 NE ARG A 84 3.308 3.646 -11.462 1.00 0.00 N ATOM 1315 CZ ARG A 84 4.126 4.245 -10.603 1.00 0.00 C ATOM 1316 NH1 ARG A 84 3.670 4.659 -9.451 1.00 0.00 N ATOM 1317 NH2 ARG A 84 5.381 4.417 -10.910 1.00 0.00 N ATOM 0 H ARG A 84 -0.938 3.533 -11.507 1.00 0.00 H new ATOM 0 HA ARG A 84 0.375 1.117 -12.143 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.286 2.742 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.112 1.058 -9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.178 2.366 -9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.238 1.364 -10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.325 3.354 -12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.513 4.327 -10.624 1.00 0.00 H new ATOM 0 HE ARG A 84 3.673 3.315 -12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.688 4.522 -9.212 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.296 5.119 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.735 4.092 -11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.009 4.877 -10.251 1.00 0.00 H new ATOM 1331 N LEU A 85 -2.625 0.843 -10.803 1.00 0.00 N ATOM 1332 CA LEU A 85 -3.698 -0.103 -10.575 1.00 0.00 C ATOM 1333 C LEU A 85 -4.092 -0.771 -11.883 1.00 0.00 C ATOM 1334 O LEU A 85 -4.312 -1.979 -11.931 1.00 0.00 O ATOM 1335 CB LEU A 85 -4.913 0.611 -9.971 1.00 0.00 C ATOM 1336 CG LEU A 85 -6.071 -0.381 -9.774 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -5.623 -1.555 -8.884 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -7.250 0.346 -9.120 1.00 0.00 C ATOM 0 H LEU A 85 -2.845 1.810 -10.563 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.350 -0.864 -9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.642 1.059 -9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.228 1.424 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.374 -0.776 -10.743 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.453 -2.250 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.788 -2.072 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.310 -1.175 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.075 -0.353 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.941 0.744 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.575 1.164 -9.763 1.00 0.00 H new ATOM 1350 N ALA A 86 -4.182 0.024 -12.944 1.00 0.00 N ATOM 1351 CA ALA A 86 -4.552 -0.506 -14.254 1.00 0.00 C ATOM 1352 C ALA A 86 -3.319 -0.969 -15.012 1.00 0.00 C ATOM 1353 O ALA A 86 -3.424 -1.602 -16.061 1.00 0.00 O ATOM 1354 CB ALA A 86 -5.265 0.571 -15.062 1.00 0.00 C ATOM 0 H ALA A 86 -4.006 1.029 -12.925 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.216 -1.358 -14.107 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.539 0.172 -16.038 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.164 0.887 -14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.602 1.426 -15.193 1.00 0.00 H new ATOM 1360 N GLY A 87 -2.149 -0.643 -14.478 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.893 -1.023 -15.115 1.00 0.00 C ATOM 1362 C GLY A 87 0.230 -1.120 -14.094 1.00 0.00 C ATOM 1363 O GLY A 87 1.211 -0.381 -14.168 1.00 0.00 O ATOM 0 H GLY A 87 -2.043 -0.119 -13.610 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.013 -1.981 -15.621 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.632 -0.290 -15.879 1.00 0.00 H new ATOM 1367 N ASP A 88 0.077 -2.041 -13.143 1.00 0.00 N ATOM 1368 CA ASP A 88 1.090 -2.244 -12.098 1.00 0.00 C ATOM 1369 C ASP A 88 2.495 -2.066 -12.667 1.00 0.00 C ATOM 1370 O ASP A 88 3.039 -2.968 -13.302 1.00 0.00 O ATOM 1371 CB ASP A 88 0.961 -3.653 -11.512 1.00 0.00 C ATOM 1372 CG ASP A 88 -0.327 -3.773 -10.707 1.00 0.00 C ATOM 1373 OD1 ASP A 88 -0.906 -2.748 -10.390 1.00 0.00 O ATOM 1374 OD2 ASP A 88 -0.720 -4.892 -10.418 1.00 0.00 O ATOM 0 H ASP A 88 -0.733 -2.657 -13.071 1.00 0.00 H new ATOM 0 HA ASP A 88 0.926 -1.502 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.967 -4.390 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.818 -3.869 -10.874 1.00 0.00 H new ATOM 1379 N TYR A 89 3.069 -0.887 -12.440 1.00 0.00 N ATOM 1380 CA TYR A 89 4.409 -0.580 -12.937 1.00 0.00 C ATOM 1381 C TYR A 89 5.469 -1.040 -11.945 1.00 0.00 C ATOM 1382 O TYR A 89 6.509 -1.568 -12.333 1.00 0.00 O ATOM 1383 CB TYR A 89 4.546 0.924 -13.171 1.00 0.00 C ATOM 1384 CG TYR A 89 5.894 1.211 -13.786 1.00 0.00 C ATOM 1385 CD1 TYR A 89 6.056 1.167 -15.177 1.00 0.00 C ATOM 1386 CD2 TYR A 89 6.986 1.519 -12.966 1.00 0.00 C ATOM 1387 CE1 TYR A 89 7.307 1.430 -15.746 1.00 0.00 C ATOM 1388 CE2 TYR A 89 8.236 1.781 -13.535 1.00 0.00 C ATOM 1389 CZ TYR A 89 8.398 1.737 -14.925 1.00 0.00 C ATOM 1390 OH TYR A 89 9.632 1.997 -15.487 1.00 0.00 O ATOM 0 H TYR A 89 2.629 -0.130 -11.917 1.00 0.00 H new ATOM 0 HA TYR A 89 4.556 -1.110 -13.878 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.751 1.276 -13.829 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.441 1.462 -12.229 1.00 0.00 H new ATOM 0 HD1 TYR A 89 5.214 0.930 -15.811 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.863 1.554 -11.894 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.431 1.396 -16.818 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.078 2.018 -12.901 1.00 0.00 H new ATOM 0 HH TYR A 89 10.279 2.193 -14.778 1.00 0.00 H new ATOM 1400 N VAL A 90 5.198 -0.829 -10.662 1.00 0.00 N ATOM 1401 CA VAL A 90 6.143 -1.221 -9.623 1.00 0.00 C ATOM 1402 C VAL A 90 6.546 -2.678 -9.813 1.00 0.00 C ATOM 1403 O VAL A 90 5.695 -3.550 -9.993 1.00 0.00 O ATOM 1404 CB VAL A 90 5.506 -1.040 -8.244 1.00 0.00 C ATOM 1405 CG1 VAL A 90 6.440 -1.593 -7.164 1.00 0.00 C ATOM 1406 CG2 VAL A 90 5.256 0.448 -7.988 1.00 0.00 C ATOM 0 H VAL A 90 4.342 -0.394 -10.319 1.00 0.00 H new ATOM 0 HA VAL A 90 7.029 -0.590 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 90 4.560 -1.580 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.981 -1.461 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.615 -2.654 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.389 -1.058 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.802 0.577 -7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.202 0.987 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.585 0.841 -8.752 1.00 0.00 H new ATOM 1416 N TYR A 91 7.852 -2.934 -9.772 1.00 0.00 N ATOM 1417 CA TYR A 91 8.375 -4.291 -9.946 1.00 0.00 C ATOM 1418 C TYR A 91 8.920 -4.809 -8.627 1.00 0.00 C ATOM 1419 O TYR A 91 9.353 -4.032 -7.775 1.00 0.00 O ATOM 1420 CB TYR A 91 9.494 -4.288 -10.985 1.00 0.00 C ATOM 1421 CG TYR A 91 8.943 -3.828 -12.311 1.00 0.00 C ATOM 1422 CD1 TYR A 91 8.298 -4.741 -13.153 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.076 -2.491 -12.695 1.00 0.00 C ATOM 1424 CE1 TYR A 91 7.784 -4.312 -14.383 1.00 0.00 C ATOM 1425 CE2 TYR A 91 8.563 -2.062 -13.924 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.918 -2.973 -14.769 1.00 0.00 C ATOM 1427 OH TYR A 91 7.412 -2.552 -15.981 1.00 0.00 O ATOM 0 H TYR A 91 8.567 -2.223 -9.620 1.00 0.00 H new ATOM 0 HA TYR A 91 7.566 -4.938 -10.284 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.301 -3.629 -10.665 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.918 -5.287 -11.082 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.197 -5.774 -12.855 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.575 -1.789 -12.043 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.284 -5.014 -15.034 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.665 -1.029 -14.221 1.00 0.00 H new ATOM 0 HH TYR A 91 7.588 -1.595 -16.094 1.00 0.00 H new ATOM 1437 N LEU A 92 8.894 -6.129 -8.460 1.00 0.00 N ATOM 1438 CA LEU A 92 9.392 -6.748 -7.234 1.00 0.00 C ATOM 1439 C LEU A 92 10.313 -7.912 -7.567 1.00 0.00 C ATOM 1440 O LEU A 92 9.917 -8.854 -8.251 1.00 0.00 O ATOM 1441 CB LEU A 92 8.215 -7.244 -6.393 1.00 0.00 C ATOM 1442 CG LEU A 92 8.677 -7.544 -4.954 1.00 0.00 C ATOM 1443 CD1 LEU A 92 7.449 -7.695 -4.057 1.00 0.00 C ATOM 1444 CD2 LEU A 92 9.533 -8.832 -4.902 1.00 0.00 C ATOM 0 H LEU A 92 8.536 -6.787 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 92 9.955 -6.006 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.426 -6.492 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.792 -8.143 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 92 9.294 -6.717 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.768 -7.908 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.872 -6.771 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.830 -8.515 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.846 -9.020 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.944 -9.675 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.414 -8.709 -5.533 1.00 0.00 H new ATOM 1456 N PHE A 93 11.545 -7.846 -7.066 1.00 0.00 N ATOM 1457 CA PHE A 93 12.522 -8.909 -7.303 1.00 0.00 C ATOM 1458 C PHE A 93 13.380 -9.133 -6.062 1.00 0.00 C ATOM 1459 O PHE A 93 13.655 -8.202 -5.307 1.00 0.00 O ATOM 1460 CB PHE A 93 13.418 -8.533 -8.486 1.00 0.00 C ATOM 1461 CG PHE A 93 14.072 -7.199 -8.220 1.00 0.00 C ATOM 1462 CD1 PHE A 93 15.271 -7.135 -7.504 1.00 0.00 C ATOM 1463 CD2 PHE A 93 13.475 -6.024 -8.693 1.00 0.00 C ATOM 1464 CE1 PHE A 93 15.875 -5.895 -7.258 1.00 0.00 C ATOM 1465 CE2 PHE A 93 14.078 -4.785 -8.449 1.00 0.00 C ATOM 1466 CZ PHE A 93 15.277 -4.719 -7.731 1.00 0.00 C ATOM 0 H PHE A 93 11.890 -7.073 -6.497 1.00 0.00 H new ATOM 0 HA PHE A 93 11.986 -9.831 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.179 -9.299 -8.637 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.828 -8.484 -9.401 1.00 0.00 H new ATOM 0 HD1 PHE A 93 15.732 -8.042 -7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.549 -6.074 -9.246 1.00 0.00 H new ATOM 0 HE1 PHE A 93 16.801 -5.845 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 93 13.618 -3.879 -8.815 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.741 -3.763 -7.541 1.00 0.00 H new ATOM 1476 N ASP A 94 13.797 -10.382 -5.857 1.00 0.00 N ATOM 1477 CA ASP A 94 14.622 -10.728 -4.704 1.00 0.00 C ATOM 1478 C ASP A 94 16.091 -10.443 -4.996 1.00 0.00 C ATOM 1479 O ASP A 94 16.448 -10.030 -6.097 1.00 0.00 O ATOM 1480 CB ASP A 94 14.446 -12.208 -4.361 1.00 0.00 C ATOM 1481 CG ASP A 94 15.166 -12.526 -3.055 1.00 0.00 C ATOM 1482 OD1 ASP A 94 14.849 -11.899 -2.059 1.00 0.00 O ATOM 1483 OD2 ASP A 94 16.021 -13.395 -3.071 1.00 0.00 O ATOM 0 H ASP A 94 13.578 -11.166 -6.472 1.00 0.00 H new ATOM 0 HA ASP A 94 14.305 -10.120 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.386 -12.446 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.843 -12.827 -5.166 1.00 0.00 H new ATOM 1488 N GLU A 95 16.941 -10.669 -4.000 1.00 0.00 N ATOM 1489 CA GLU A 95 18.371 -10.433 -4.160 1.00 0.00 C ATOM 1490 C GLU A 95 18.983 -11.478 -5.089 1.00 0.00 C ATOM 1491 O GLU A 95 20.099 -11.944 -4.863 1.00 0.00 O ATOM 1492 CB GLU A 95 19.065 -10.494 -2.800 1.00 0.00 C ATOM 1493 CG GLU A 95 18.588 -9.330 -1.930 1.00 0.00 C ATOM 1494 CD GLU A 95 19.243 -9.406 -0.555 1.00 0.00 C ATOM 1495 OE1 GLU A 95 20.060 -10.290 -0.358 1.00 0.00 O ATOM 1496 OE2 GLU A 95 18.917 -8.579 0.280 1.00 0.00 O ATOM 0 H GLU A 95 16.667 -11.013 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 95 18.511 -9.444 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.845 -11.442 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.146 -10.446 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.835 -8.382 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.503 -9.362 -1.828 1.00 0.00 H new ATOM 1503 N GLY A 96 18.245 -11.845 -6.137 1.00 0.00 N ATOM 1504 CA GLY A 96 18.723 -12.838 -7.097 1.00 0.00 C ATOM 1505 C GLY A 96 18.215 -12.524 -8.499 1.00 0.00 C ATOM 1506 O GLY A 96 18.590 -13.186 -9.469 1.00 0.00 O ATOM 0 H GLY A 96 17.318 -11.471 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.813 -12.856 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.387 -13.831 -6.798 1.00 0.00 H new ATOM 1510 N GLY A 97 17.358 -11.515 -8.602 1.00 0.00 N ATOM 1511 CA GLY A 97 16.805 -11.122 -9.892 1.00 0.00 C ATOM 1512 C GLY A 97 15.660 -12.045 -10.298 1.00 0.00 C ATOM 1513 O GLY A 97 15.032 -11.846 -11.336 1.00 0.00 O ATOM 0 H GLY A 97 17.033 -10.957 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.448 -10.094 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.587 -11.150 -10.651 1.00 0.00 H new ATOM 1517 N ASP A 98 15.395 -13.056 -9.471 1.00 0.00 N ATOM 1518 CA ASP A 98 14.320 -14.008 -9.755 1.00 0.00 C ATOM 1519 C ASP A 98 13.033 -13.579 -9.065 1.00 0.00 C ATOM 1520 O ASP A 98 12.944 -13.588 -7.837 1.00 0.00 O ATOM 1521 CB ASP A 98 14.714 -15.404 -9.262 1.00 0.00 C ATOM 1522 CG ASP A 98 13.800 -16.460 -9.877 1.00 0.00 C ATOM 1523 OD1 ASP A 98 13.244 -16.198 -10.932 1.00 0.00 O ATOM 1524 OD2 ASP A 98 13.669 -17.518 -9.286 1.00 0.00 O ATOM 0 H ASP A 98 15.905 -13.237 -8.606 1.00 0.00 H new ATOM 0 HA ASP A 98 14.158 -14.031 -10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.751 -15.612 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.649 -15.445 -8.175 1.00 0.00 H new ATOM 1529 N GLU A 99 12.035 -13.200 -9.857 1.00 0.00 N ATOM 1530 CA GLU A 99 10.763 -12.772 -9.293 1.00 0.00 C ATOM 1531 C GLU A 99 10.226 -13.838 -8.341 1.00 0.00 C ATOM 1532 O GLU A 99 9.437 -14.698 -8.732 1.00 0.00 O ATOM 1533 CB GLU A 99 9.755 -12.535 -10.424 1.00 0.00 C ATOM 1534 CG GLU A 99 9.908 -13.635 -11.481 1.00 0.00 C ATOM 1535 CD GLU A 99 8.723 -13.611 -12.438 1.00 0.00 C ATOM 1536 OE1 GLU A 99 7.785 -12.877 -12.173 1.00 0.00 O ATOM 1537 OE2 GLU A 99 8.769 -14.325 -13.427 1.00 0.00 O ATOM 0 H GLU A 99 12.081 -13.181 -10.876 1.00 0.00 H new ATOM 0 HA GLU A 99 10.913 -11.846 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.740 -12.535 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.921 -11.557 -10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.836 -13.491 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.974 -14.609 -10.996 1.00 0.00 H new ATOM 1544 N VAL A 100 10.651 -13.769 -7.084 1.00 0.00 N ATOM 1545 CA VAL A 100 10.202 -14.727 -6.077 1.00 0.00 C ATOM 1546 C VAL A 100 10.077 -14.047 -4.721 1.00 0.00 C ATOM 1547 O VAL A 100 10.946 -13.273 -4.321 1.00 0.00 O ATOM 1548 CB VAL A 100 11.192 -15.896 -5.998 1.00 0.00 C ATOM 1549 CG1 VAL A 100 10.837 -16.794 -4.806 1.00 0.00 C ATOM 1550 CG2 VAL A 100 11.111 -16.714 -7.288 1.00 0.00 C ATOM 0 H VAL A 100 11.302 -13.064 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 100 9.222 -15.110 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 100 12.202 -15.507 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 100 11.542 -17.623 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.889 -16.214 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.827 -17.184 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.813 -17.546 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.099 -17.100 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 100 11.363 -16.079 -8.138 1.00 0.00 H new ATOM 1560 N ILE A 101 8.989 -14.336 -4.013 1.00 0.00 N ATOM 1561 CA ILE A 101 8.771 -13.737 -2.707 1.00 0.00 C ATOM 1562 C ILE A 101 9.657 -14.407 -1.670 1.00 0.00 C ATOM 1563 O ILE A 101 9.696 -15.634 -1.572 1.00 0.00 O ATOM 1564 CB ILE A 101 7.303 -13.900 -2.301 1.00 0.00 C ATOM 1565 CG1 ILE A 101 6.406 -13.594 -3.504 1.00 0.00 C ATOM 1566 CG2 ILE A 101 6.965 -12.940 -1.154 1.00 0.00 C ATOM 1567 CD1 ILE A 101 6.779 -12.240 -4.110 1.00 0.00 C ATOM 0 H ILE A 101 8.254 -14.974 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 101 9.020 -12.677 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 101 7.136 -14.924 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.511 -14.378 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.361 -13.587 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.919 -13.063 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.600 -13.160 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.135 -11.913 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.134 -12.034 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.650 -11.458 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.819 -12.262 -4.437 1.00 0.00 H new ATOM 1579 N ALA A 102 10.374 -13.599 -0.894 1.00 0.00 N ATOM 1580 CA ALA A 102 11.258 -14.141 0.135 1.00 0.00 C ATOM 1581 C ALA A 102 11.376 -13.163 1.309 1.00 0.00 C ATOM 1582 O ALA A 102 10.907 -12.029 1.233 1.00 0.00 O ATOM 1583 CB ALA A 102 12.649 -14.427 -0.477 1.00 0.00 C ATOM 0 H ALA A 102 10.362 -12.581 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 102 10.838 -15.073 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.308 -14.831 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.549 -15.150 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.072 -13.501 -0.868 1.00 0.00 H new ATOM 1589 N PRO A 103 12.008 -13.581 2.381 1.00 0.00 N ATOM 1590 CA PRO A 103 12.201 -12.715 3.585 1.00 0.00 C ATOM 1591 C PRO A 103 12.813 -11.359 3.221 1.00 0.00 C ATOM 1592 O PRO A 103 12.400 -10.326 3.741 1.00 0.00 O ATOM 1593 CB PRO A 103 13.165 -13.533 4.466 1.00 0.00 C ATOM 1594 CG PRO A 103 12.960 -14.956 4.058 1.00 0.00 C ATOM 1595 CD PRO A 103 12.590 -14.923 2.572 1.00 0.00 C ATOM 0 HA PRO A 103 11.259 -12.479 4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.199 -13.224 4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.946 -13.392 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.864 -15.542 4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.168 -15.420 4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 103 13.465 -15.073 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.876 -15.708 2.320 1.00 0.00 H new ATOM 1603 N ARG A 104 13.796 -11.371 2.318 1.00 0.00 N ATOM 1604 CA ARG A 104 14.455 -10.135 1.884 1.00 0.00 C ATOM 1605 C ARG A 104 14.086 -9.822 0.446 1.00 0.00 C ATOM 1606 O ARG A 104 14.825 -10.149 -0.481 1.00 0.00 O ATOM 1607 CB ARG A 104 15.977 -10.285 2.000 1.00 0.00 C ATOM 1608 CG ARG A 104 16.343 -10.945 3.354 1.00 0.00 C ATOM 1609 CD ARG A 104 16.584 -12.443 3.158 1.00 0.00 C ATOM 1610 NE ARG A 104 16.687 -13.106 4.451 1.00 0.00 N ATOM 1611 CZ ARG A 104 17.830 -13.117 5.128 1.00 0.00 C ATOM 1612 NH1 ARG A 104 18.882 -12.522 4.639 1.00 0.00 N ATOM 1613 NH2 ARG A 104 17.895 -13.717 6.284 1.00 0.00 N ATOM 0 H ARG A 104 14.152 -12.218 1.875 1.00 0.00 H new ATOM 0 HA ARG A 104 14.122 -9.319 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.355 -10.891 1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.454 -9.308 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 104 17.236 -10.476 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.539 -10.789 4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.768 -12.878 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 104 17.498 -12.601 2.586 1.00 0.00 H new ATOM 0 HE ARG A 104 15.868 -13.570 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 104 18.827 -12.048 3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 104 19.760 -12.530 5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 104 17.069 -14.177 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 104 18.772 -13.726 6.805 1.00 0.00 H new ATOM 1627 N MET A 105 12.935 -9.185 0.267 1.00 0.00 N ATOM 1628 CA MET A 105 12.457 -8.822 -1.064 1.00 0.00 C ATOM 1629 C MET A 105 12.635 -7.328 -1.294 1.00 0.00 C ATOM 1630 O MET A 105 12.851 -6.564 -0.353 1.00 0.00 O ATOM 1631 CB MET A 105 10.974 -9.207 -1.202 1.00 0.00 C ATOM 1632 CG MET A 105 10.261 -9.022 0.141 1.00 0.00 C ATOM 1633 SD MET A 105 10.493 -7.321 0.731 1.00 0.00 S ATOM 1634 CE MET A 105 8.818 -7.054 1.359 1.00 0.00 C ATOM 0 H MET A 105 12.314 -8.908 1.027 1.00 0.00 H new ATOM 0 HA MET A 105 13.037 -9.361 -1.813 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.498 -8.590 -1.964 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.887 -10.243 -1.530 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.198 -9.237 0.031 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.655 -9.727 0.873 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.687 -6.001 1.610 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.094 -7.338 0.595 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.662 -7.662 2.250 1.00 0.00 H new ATOM 1644 N TYR A 106 12.532 -6.919 -2.553 1.00 0.00 N ATOM 1645 CA TYR A 106 12.669 -5.510 -2.917 1.00 0.00 C ATOM 1646 C TYR A 106 11.560 -5.112 -3.879 1.00 0.00 C ATOM 1647 O TYR A 106 11.519 -5.578 -5.020 1.00 0.00 O ATOM 1648 CB TYR A 106 14.028 -5.277 -3.576 1.00 0.00 C ATOM 1649 CG TYR A 106 14.123 -3.842 -4.033 1.00 0.00 C ATOM 1650 CD1 TYR A 106 14.589 -2.854 -3.159 1.00 0.00 C ATOM 1651 CD2 TYR A 106 13.743 -3.505 -5.334 1.00 0.00 C ATOM 1652 CE1 TYR A 106 14.671 -1.524 -3.590 1.00 0.00 C ATOM 1653 CE2 TYR A 106 13.827 -2.178 -5.767 1.00 0.00 C ATOM 1654 CZ TYR A 106 14.291 -1.187 -4.895 1.00 0.00 C ATOM 1655 OH TYR A 106 14.372 0.123 -5.319 1.00 0.00 O ATOM 0 H TYR A 106 12.354 -7.542 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 106 12.595 -4.902 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.829 -5.500 -2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.153 -5.950 -4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.885 -3.116 -2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 106 13.384 -4.270 -6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.027 -0.759 -2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 106 13.534 -1.918 -6.774 1.00 0.00 H new ATOM 0 HH TYR A 106 15.188 0.246 -5.848 1.00 0.00 H new ATOM 1665 N CYS A 107 10.659 -4.246 -3.404 1.00 0.00 N ATOM 1666 CA CYS A 107 9.535 -3.771 -4.218 1.00 0.00 C ATOM 1667 C CYS A 107 9.649 -2.271 -4.468 1.00 0.00 C ATOM 1668 O CYS A 107 9.608 -1.467 -3.537 1.00 0.00 O ATOM 1669 CB CYS A 107 8.213 -4.080 -3.511 1.00 0.00 C ATOM 1670 SG CYS A 107 8.056 -3.055 -2.026 1.00 0.00 S ATOM 0 H CYS A 107 10.686 -3.860 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 107 9.560 -4.286 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 107 7.377 -3.891 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.172 -5.135 -3.241 1.00 0.00 H new ATOM 0 HG CYS A 107 8.738 -1.959 -2.181 1.00 0.00 H new ATOM 1676 N SER A 108 9.792 -1.900 -5.735 1.00 0.00 N ATOM 1677 CA SER A 108 9.904 -0.491 -6.100 1.00 0.00 C ATOM 1678 C SER A 108 9.853 -0.321 -7.615 1.00 0.00 C ATOM 1679 O SER A 108 9.816 -1.300 -8.359 1.00 0.00 O ATOM 1680 CB SER A 108 11.212 0.092 -5.558 1.00 0.00 C ATOM 1681 OG SER A 108 11.149 1.511 -5.607 1.00 0.00 O ATOM 0 H SER A 108 9.833 -2.548 -6.522 1.00 0.00 H new ATOM 0 HA SER A 108 9.062 0.044 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.375 -0.241 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.056 -0.267 -6.148 1.00 0.00 H new ATOM 0 HG SER A 108 11.566 1.829 -6.435 1.00 0.00 H new ATOM 1687 N PHE A 109 9.851 0.930 -8.062 1.00 0.00 N ATOM 1688 CA PHE A 109 9.806 1.221 -9.490 1.00 0.00 C ATOM 1689 C PHE A 109 11.090 0.752 -10.168 1.00 0.00 C ATOM 1690 O PHE A 109 11.096 0.437 -11.358 1.00 0.00 O ATOM 1691 CB PHE A 109 9.620 2.723 -9.713 1.00 0.00 C ATOM 1692 CG PHE A 109 10.853 3.460 -9.243 1.00 0.00 C ATOM 1693 CD1 PHE A 109 10.958 3.860 -7.907 1.00 0.00 C ATOM 1694 CD2 PHE A 109 11.887 3.737 -10.143 1.00 0.00 C ATOM 1695 CE1 PHE A 109 12.101 4.542 -7.469 1.00 0.00 C ATOM 1696 CE2 PHE A 109 13.030 4.420 -9.706 1.00 0.00 C ATOM 1697 CZ PHE A 109 13.135 4.822 -8.371 1.00 0.00 C ATOM 0 H PHE A 109 9.880 1.754 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 109 8.962 0.687 -9.927 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.443 2.925 -10.769 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.743 3.076 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.159 3.643 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 109 11.805 3.425 -11.174 1.00 0.00 H new ATOM 0 HE1 PHE A 109 12.184 4.851 -6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 109 13.829 4.636 -10.400 1.00 0.00 H new ATOM 0 HZ PHE A 109 14.015 5.350 -8.035 1.00 0.00 H new ATOM 1707 N SER A 110 12.178 0.715 -9.403 1.00 0.00 N ATOM 1708 CA SER A 110 13.464 0.287 -9.939 1.00 0.00 C ATOM 1709 C SER A 110 13.387 -1.156 -10.420 1.00 0.00 C ATOM 1710 O SER A 110 12.663 -1.973 -9.852 1.00 0.00 O ATOM 1711 CB SER A 110 14.549 0.414 -8.866 1.00 0.00 C ATOM 1712 OG SER A 110 14.891 1.783 -8.710 1.00 0.00 O ATOM 0 H SER A 110 12.194 0.975 -8.417 1.00 0.00 H new ATOM 0 HA SER A 110 13.716 0.928 -10.784 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.192 0.006 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.429 -0.163 -9.151 1.00 0.00 H new ATOM 0 HG SER A 110 14.187 2.342 -9.100 1.00 0.00 H new ATOM 1718 N ALA A 111 14.134 -1.461 -11.478 1.00 0.00 N ATOM 1719 CA ALA A 111 14.138 -2.810 -12.037 1.00 0.00 C ATOM 1720 C ALA A 111 15.148 -3.695 -11.302 1.00 0.00 C ATOM 1721 O ALA A 111 15.953 -3.208 -10.508 1.00 0.00 O ATOM 1722 CB ALA A 111 14.468 -2.749 -13.549 1.00 0.00 C ATOM 0 H ALA A 111 14.740 -0.798 -11.962 1.00 0.00 H new ATOM 0 HA ALA A 111 13.148 -3.248 -11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 111 14.470 -3.758 -13.962 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.716 -2.149 -14.062 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.450 -2.298 -13.689 1.00 0.00 H new ATOM 1728 N PRO A 112 15.128 -4.980 -11.562 1.00 0.00 N ATOM 1729 CA PRO A 112 16.073 -5.945 -10.921 1.00 0.00 C ATOM 1730 C PRO A 112 17.529 -5.487 -11.039 1.00 0.00 C ATOM 1731 O PRO A 112 18.309 -5.611 -10.096 1.00 0.00 O ATOM 1732 CB PRO A 112 15.845 -7.253 -11.701 1.00 0.00 C ATOM 1733 CG PRO A 112 14.460 -7.146 -12.254 1.00 0.00 C ATOM 1734 CD PRO A 112 14.202 -5.656 -12.491 1.00 0.00 C ATOM 0 HA PRO A 112 15.892 -6.046 -9.851 1.00 0.00 H new ATOM 0 HB2 PRO A 112 16.579 -7.369 -12.498 1.00 0.00 H new ATOM 0 HB3 PRO A 112 15.943 -8.122 -11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.369 -7.708 -13.183 1.00 0.00 H new ATOM 0 HG3 PRO A 112 13.731 -7.560 -11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.400 -5.376 -13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.165 -5.393 -12.283 1.00 0.00 H new ATOM 1742 N ASP A 113 17.888 -4.966 -12.209 1.00 0.00 N ATOM 1743 CA ASP A 113 19.254 -4.502 -12.437 1.00 0.00 C ATOM 1744 C ASP A 113 19.617 -3.392 -11.466 1.00 0.00 C ATOM 1745 O ASP A 113 20.677 -3.415 -10.842 1.00 0.00 O ATOM 1746 CB ASP A 113 19.404 -4.006 -13.877 1.00 0.00 C ATOM 1747 CG ASP A 113 20.832 -3.530 -14.123 1.00 0.00 C ATOM 1748 OD1 ASP A 113 21.599 -3.497 -13.173 1.00 0.00 O ATOM 1749 OD2 ASP A 113 21.142 -3.209 -15.258 1.00 0.00 O ATOM 0 H ASP A 113 17.261 -4.855 -13.006 1.00 0.00 H new ATOM 0 HA ASP A 113 19.933 -5.339 -12.272 1.00 0.00 H new ATOM 0 HB2 ASP A 113 19.155 -4.807 -14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.704 -3.192 -14.064 1.00 0.00 H new ATOM 1754 N ASP A 114 18.733 -2.423 -11.354 1.00 0.00 N ATOM 1755 CA ASP A 114 18.955 -1.293 -10.459 1.00 0.00 C ATOM 1756 C ASP A 114 20.267 -0.592 -10.797 1.00 0.00 C ATOM 1757 O ASP A 114 20.293 0.139 -11.774 1.00 0.00 O ATOM 1758 CB ASP A 114 18.991 -1.775 -9.008 1.00 0.00 C ATOM 1759 CG ASP A 114 19.110 -0.584 -8.063 1.00 0.00 C ATOM 1760 OD1 ASP A 114 19.459 0.488 -8.532 1.00 0.00 O ATOM 1761 OD2 ASP A 114 18.848 -0.759 -6.884 1.00 0.00 O ATOM 0 H ASP A 114 17.853 -2.390 -11.868 1.00 0.00 H new ATOM 0 HA ASP A 114 18.135 -0.586 -10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.087 -2.340 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.834 -2.451 -8.862 1.00 0.00 H new TER 1766 ASP A 114