USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 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 30 ASN : amide:sc= -1.78! C(o=-2.6!,f=-20!) USER MOD Set 1.2: A 32 HIS : no HE2:sc= -0.8! C(o=-2.6!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.451 (180deg=-0.893) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 6 THR OG1 : rot -170:sc= -0.4 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0263 (180deg=-0.414) USER MOD Single : A 14 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 19 ASN : amide:sc= -0.236 K(o=-0.24,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -0.398 (180deg=-1.64!) USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 0.0261 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0163 K(o=-0.016,f=-1.7!) USER MOD Single : A 31 THR OG1 : rot 24:sc= 0.819! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.46! C(o=-2.5!,f=-7.4!) USER MOD Single : A 45 THR OG1 : rot -86:sc= 0.088 USER MOD Single : A 49 LYS NZ :NH3+ -121:sc= -1.59 (180deg=-3.95!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.595 K(o=-0.59,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= -0.0228 K(o=-0.023,f=-2.1!) USER MOD Single : A 66 SER OG : rot -70:sc= -0.0865 USER MOD Single : A 67 TYR OH : rot 80:sc= 0.0698 USER MOD Single : A 71 SER OG : rot 40:sc= -1.61! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0222 K(o=-0.022,f=-2!) USER MOD Single : A 82 GLN : amide:sc= -6.05! C(o=-6.1!,f=-7.1!) USER MOD Single : A 84 GLN : amide:sc= -0.0795 K(o=-0.08,f=-3.4!) USER MOD Single : A 86 ASN : amide:sc= -0.0277 K(o=-0.028,f=-0.88) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.706 K(o=-0.71,f=-0.014!) USER MOD Single : A 89 SER OG : rot 35:sc= -0.984 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= -3.62 (180deg=-4.15!) USER MOD Single : A 95 SER OG : rot 2:sc= 0.912 USER MOD Single : A 104 HIS : no HD1:sc= -0.49 K(o=-0.49,f=-1.2) USER MOD Single : A 105 HIS : no HD1:sc= -0.891 X(o=-0.89,f=-0.55) USER MOD Single : A 106 HIS : no HE2:sc= -0.242 K(o=-0.24,f=-1.1) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1.3) USER MOD Single : A 109 HIS : no HD1:sc= 0.232 K(o=0.23,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.023 10.747 -17.292 1.00 0.00 N ATOM 2 CA MET A 1 -7.199 12.156 -17.738 1.00 0.00 C ATOM 3 C MET A 1 -7.654 13.002 -16.548 1.00 0.00 C ATOM 4 O MET A 1 -7.450 14.200 -16.510 1.00 0.00 O ATOM 5 CB MET A 1 -8.255 12.207 -18.846 1.00 0.00 C ATOM 6 CG MET A 1 -7.745 11.443 -20.076 1.00 0.00 C ATOM 7 SD MET A 1 -6.307 12.291 -20.783 1.00 0.00 S ATOM 8 CE MET A 1 -7.209 13.459 -21.832 1.00 0.00 C ATOM 0 H1 MET A 1 -6.510 10.213 -18.022 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.481 10.729 -16.405 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.955 10.313 -17.137 1.00 0.00 H new ATOM 0 HA MET A 1 -6.257 12.547 -18.122 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.188 11.768 -18.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.469 13.242 -19.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.475 10.425 -19.795 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.536 11.369 -20.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.500 14.090 -22.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.818 12.909 -22.549 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.853 14.083 -21.212 1.00 0.00 H new ATOM 20 N GLU A 2 -8.259 12.384 -15.571 1.00 0.00 N ATOM 21 CA GLU A 2 -8.720 13.143 -14.375 1.00 0.00 C ATOM 22 C GLU A 2 -9.045 12.160 -13.244 1.00 0.00 C ATOM 23 O GLU A 2 -10.152 12.122 -12.748 1.00 0.00 O ATOM 24 CB GLU A 2 -9.974 13.949 -14.725 1.00 0.00 C ATOM 25 CG GLU A 2 -10.259 14.961 -13.613 1.00 0.00 C ATOM 26 CD GLU A 2 -9.217 16.080 -13.659 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.942 16.562 -14.747 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.712 16.438 -12.608 1.00 0.00 O ATOM 0 H GLU A 2 -8.454 11.383 -15.550 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.932 13.825 -14.054 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.833 14.466 -15.674 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.826 13.280 -14.849 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.259 15.377 -13.733 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.234 14.466 -12.642 1.00 0.00 H new ATOM 35 N PRO A 3 -8.082 11.367 -12.844 1.00 0.00 N ATOM 36 CA PRO A 3 -8.264 10.365 -11.751 1.00 0.00 C ATOM 37 C PRO A 3 -8.409 11.029 -10.378 1.00 0.00 C ATOM 38 O PRO A 3 -7.967 12.140 -10.162 1.00 0.00 O ATOM 39 CB PRO A 3 -6.992 9.504 -11.831 1.00 0.00 C ATOM 40 CG PRO A 3 -5.959 10.400 -12.438 1.00 0.00 C ATOM 41 CD PRO A 3 -6.712 11.341 -13.386 1.00 0.00 C ATOM 0 HA PRO A 3 -9.178 9.783 -11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.685 9.160 -10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.154 8.616 -12.442 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.432 10.963 -11.668 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.210 9.821 -12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.268 12.336 -13.397 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.695 10.973 -14.412 1.00 0.00 H new ATOM 49 N GLN A 4 -9.031 10.353 -9.451 1.00 0.00 N ATOM 50 CA GLN A 4 -9.216 10.939 -8.096 1.00 0.00 C ATOM 51 C GLN A 4 -7.911 10.815 -7.302 1.00 0.00 C ATOM 52 O GLN A 4 -7.465 9.727 -6.977 1.00 0.00 O ATOM 53 CB GLN A 4 -10.337 10.185 -7.379 1.00 0.00 C ATOM 54 CG GLN A 4 -10.602 10.826 -6.015 1.00 0.00 C ATOM 55 CD GLN A 4 -11.714 10.059 -5.299 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.583 8.880 -5.035 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.810 10.683 -4.967 1.00 0.00 N ATOM 0 H GLN A 4 -9.419 9.418 -9.575 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.481 11.993 -8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.244 10.204 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.060 9.138 -7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.693 10.816 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.889 11.870 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.920 11.673 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.557 10.181 -4.486 1.00 0.00 H new ATOM 66 N LEU A 5 -7.291 11.925 -6.992 1.00 0.00 N ATOM 67 CA LEU A 5 -6.009 11.890 -6.229 1.00 0.00 C ATOM 68 C LEU A 5 -6.305 12.001 -4.736 1.00 0.00 C ATOM 69 O LEU A 5 -7.065 12.847 -4.305 1.00 0.00 O ATOM 70 CB LEU A 5 -5.141 13.075 -6.651 1.00 0.00 C ATOM 71 CG LEU A 5 -4.983 13.078 -8.175 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.118 14.271 -8.593 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.323 11.770 -8.636 1.00 0.00 C ATOM 0 H LEU A 5 -7.621 12.859 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.488 10.955 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.596 14.009 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.163 13.011 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.966 13.160 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.004 14.276 -9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.597 15.197 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.137 14.191 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.214 11.780 -9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.340 11.676 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.945 10.925 -8.341 1.00 0.00 H new ATOM 85 N THR A 6 -5.710 11.145 -3.944 1.00 0.00 N ATOM 86 CA THR A 6 -5.941 11.175 -2.464 1.00 0.00 C ATOM 87 C THR A 6 -4.599 11.305 -1.747 1.00 0.00 C ATOM 88 O THR A 6 -3.602 10.762 -2.176 1.00 0.00 O ATOM 89 CB THR A 6 -6.638 9.886 -2.035 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.872 9.776 -2.730 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.897 9.928 -0.531 1.00 0.00 C ATOM 0 H THR A 6 -5.068 10.419 -4.261 1.00 0.00 H new ATOM 0 HA THR A 6 -6.571 12.026 -2.205 1.00 0.00 H new ATOM 0 HB THR A 6 -6.009 9.027 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.397 9.041 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.395 9.009 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.949 10.024 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.532 10.782 -0.295 1.00 0.00 H new ATOM 99 N LYS A 7 -4.562 12.035 -0.665 1.00 0.00 N ATOM 100 CA LYS A 7 -3.282 12.225 0.076 1.00 0.00 C ATOM 101 C LYS A 7 -3.169 11.192 1.195 1.00 0.00 C ATOM 102 O LYS A 7 -4.152 10.760 1.762 1.00 0.00 O ATOM 103 CB LYS A 7 -3.283 13.624 0.695 1.00 0.00 C ATOM 104 CG LYS A 7 -3.309 14.675 -0.415 1.00 0.00 C ATOM 105 CD LYS A 7 -3.373 16.075 0.202 1.00 0.00 C ATOM 106 CE LYS A 7 -3.320 17.125 -0.910 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.529 16.994 -1.774 1.00 0.00 N ATOM 0 H LYS A 7 -5.368 12.511 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.442 12.107 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.150 13.745 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.398 13.758 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.420 14.582 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.170 14.513 -1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.290 16.188 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.542 16.218 0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.274 18.125 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.417 16.994 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.658 17.866 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.407 16.190 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.366 16.835 -1.178 1.00 0.00 H new ATOM 121 N ILE A 8 -1.974 10.780 1.503 1.00 0.00 N ATOM 122 CA ILE A 8 -1.784 9.756 2.573 1.00 0.00 C ATOM 123 C ILE A 8 -2.401 10.264 3.878 1.00 0.00 C ATOM 124 O ILE A 8 -3.094 9.546 4.571 1.00 0.00 O ATOM 125 CB ILE A 8 -0.277 9.533 2.782 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.318 8.823 1.558 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.033 8.686 4.037 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.846 8.803 1.661 1.00 0.00 C ATOM 0 H ILE A 8 -1.115 11.107 1.060 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.265 8.822 2.282 1.00 0.00 H new ATOM 0 HB ILE A 8 0.206 10.502 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.065 7.804 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.013 9.335 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.038 8.536 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.440 9.200 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.523 7.719 3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.263 8.298 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.221 9.826 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.143 8.271 2.565 1.00 0.00 H new ATOM 140 N VAL A 9 -2.157 11.496 4.207 1.00 0.00 N ATOM 141 CA VAL A 9 -2.728 12.066 5.460 1.00 0.00 C ATOM 142 C VAL A 9 -4.256 12.121 5.344 1.00 0.00 C ATOM 143 O VAL A 9 -4.955 12.342 6.312 1.00 0.00 O ATOM 144 CB VAL A 9 -2.174 13.478 5.666 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.693 14.398 4.559 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.620 14.014 7.028 1.00 0.00 C ATOM 0 H VAL A 9 -1.584 12.140 3.661 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.455 11.440 6.310 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.085 13.446 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.298 15.403 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.369 14.019 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.782 14.428 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.224 15.019 7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.709 14.044 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.246 13.361 7.816 1.00 0.00 H new ATOM 156 N ASP A 10 -4.776 11.924 4.159 1.00 0.00 N ATOM 157 CA ASP A 10 -6.257 11.964 3.962 1.00 0.00 C ATOM 158 C ASP A 10 -6.811 10.536 3.982 1.00 0.00 C ATOM 159 O ASP A 10 -7.984 10.311 3.757 1.00 0.00 O ATOM 160 CB ASP A 10 -6.563 12.613 2.609 1.00 0.00 C ATOM 161 CG ASP A 10 -8.076 12.714 2.412 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.794 12.517 3.378 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.490 12.988 1.298 1.00 0.00 O ATOM 0 H ASP A 10 -4.235 11.736 3.315 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.721 12.543 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.114 13.605 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.121 12.024 1.805 1.00 0.00 H new ATOM 168 N ILE A 11 -5.973 9.567 4.255 1.00 0.00 N ATOM 169 CA ILE A 11 -6.446 8.152 4.295 1.00 0.00 C ATOM 170 C ILE A 11 -6.953 7.816 5.701 1.00 0.00 C ATOM 171 O ILE A 11 -6.228 7.904 6.672 1.00 0.00 O ATOM 172 CB ILE A 11 -5.285 7.215 3.934 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.889 7.439 2.467 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.707 5.756 4.141 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.634 6.626 2.138 1.00 0.00 C ATOM 0 H ILE A 11 -4.981 9.697 4.452 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.257 8.023 3.578 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.433 7.430 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.707 7.143 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.704 8.498 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.878 5.097 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.982 5.601 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.562 5.530 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.358 6.789 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.815 6.943 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.834 5.567 2.299 1.00 0.00 H new ATOM 187 N VAL A 12 -8.192 7.416 5.815 1.00 0.00 N ATOM 188 CA VAL A 12 -8.746 7.054 7.153 1.00 0.00 C ATOM 189 C VAL A 12 -9.789 5.946 6.989 1.00 0.00 C ATOM 190 O VAL A 12 -10.460 5.572 7.932 1.00 0.00 O ATOM 191 CB VAL A 12 -9.379 8.284 7.812 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.280 9.293 8.147 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.386 8.931 6.857 1.00 0.00 C ATOM 0 H VAL A 12 -8.846 7.324 5.037 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.939 6.696 7.792 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.896 7.979 8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.723 10.171 8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.564 8.838 8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.768 9.590 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.831 9.804 7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.876 9.237 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.169 8.213 6.613 1.00 0.00 H new ATOM 203 N GLU A 13 -9.926 5.410 5.796 1.00 0.00 N ATOM 204 CA GLU A 13 -10.919 4.314 5.562 1.00 0.00 C ATOM 205 C GLU A 13 -10.248 3.192 4.762 1.00 0.00 C ATOM 206 O GLU A 13 -9.636 3.423 3.737 1.00 0.00 O ATOM 207 CB GLU A 13 -12.112 4.867 4.780 1.00 0.00 C ATOM 208 CG GLU A 13 -13.210 3.805 4.697 1.00 0.00 C ATOM 209 CD GLU A 13 -13.827 3.603 6.083 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.509 4.377 6.971 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.612 2.682 6.232 1.00 0.00 O ATOM 0 H GLU A 13 -9.390 5.687 4.973 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.269 3.921 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.495 5.763 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.799 5.159 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.977 4.114 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.796 2.866 4.331 1.00 0.00 H new ATOM 218 N ASN A 14 -10.354 1.973 5.232 1.00 0.00 N ATOM 219 CA ASN A 14 -9.724 0.826 4.519 1.00 0.00 C ATOM 220 C ASN A 14 -10.684 0.267 3.470 1.00 0.00 C ATOM 221 O ASN A 14 -11.889 0.381 3.591 1.00 0.00 O ATOM 222 CB ASN A 14 -9.385 -0.270 5.529 1.00 0.00 C ATOM 223 CG ASN A 14 -8.207 0.177 6.397 1.00 0.00 C ATOM 224 OD1 ASN A 14 -7.095 0.286 5.922 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.406 0.437 7.660 1.00 0.00 N ATOM 0 H ASN A 14 -10.854 1.725 6.086 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.816 1.169 4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.251 -0.482 6.156 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.135 -1.194 5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.627 0.732 8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.340 0.345 8.059 1.00 0.00 H new ATOM 232 N GLY A 15 -10.157 -0.341 2.439 1.00 0.00 N ATOM 233 CA GLY A 15 -11.032 -0.913 1.376 1.00 0.00 C ATOM 234 C GLY A 15 -11.504 0.210 0.456 1.00 0.00 C ATOM 235 O GLY A 15 -12.454 0.061 -0.287 1.00 0.00 O ATOM 0 H GLY A 15 -9.156 -0.466 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.486 -1.663 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.889 -1.416 1.825 1.00 0.00 H new ATOM 239 N GLN A 16 -10.845 1.340 0.503 1.00 0.00 N ATOM 240 CA GLN A 16 -11.248 2.487 -0.365 1.00 0.00 C ATOM 241 C GLN A 16 -10.394 2.510 -1.633 1.00 0.00 C ATOM 242 O GLN A 16 -9.252 2.087 -1.636 1.00 0.00 O ATOM 243 CB GLN A 16 -11.062 3.795 0.405 1.00 0.00 C ATOM 244 CG GLN A 16 -11.446 4.971 -0.494 1.00 0.00 C ATOM 245 CD GLN A 16 -11.496 6.254 0.335 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.293 6.372 1.245 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.660 7.218 0.072 1.00 0.00 N ATOM 0 H GLN A 16 -10.043 1.518 1.107 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.295 2.374 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.680 3.792 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.027 3.894 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.722 5.076 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.416 4.787 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.991 7.119 -0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.674 8.072 0.630 1.00 0.00 H new ATOM 256 N TRP A 17 -10.950 3.002 -2.713 1.00 0.00 N ATOM 257 CA TRP A 17 -10.201 3.064 -4.005 1.00 0.00 C ATOM 258 C TRP A 17 -9.713 4.495 -4.244 1.00 0.00 C ATOM 259 O TRP A 17 -10.464 5.445 -4.144 1.00 0.00 O ATOM 260 CB TRP A 17 -11.134 2.645 -5.144 1.00 0.00 C ATOM 261 CG TRP A 17 -11.383 1.173 -5.060 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.487 0.599 -4.528 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.531 0.081 -5.510 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.367 -0.775 -4.623 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.178 -1.144 -5.222 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.271 0.035 -6.134 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.596 -2.371 -5.542 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.683 -1.198 -6.457 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.344 -2.399 -6.163 1.00 0.00 C ATOM 0 H TRP A 17 -11.902 3.367 -2.754 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.343 2.393 -3.966 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.076 3.190 -5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.688 2.896 -6.106 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.325 1.128 -4.099 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.070 -1.435 -4.291 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.753 0.954 -6.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.109 -3.293 -5.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.715 -1.222 -6.935 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.887 -3.344 -6.416 1.00 0.00 H new ATOM 280 N ALA A 18 -8.462 4.650 -4.575 1.00 0.00 N ATOM 281 CA ALA A 18 -7.924 6.014 -4.840 1.00 0.00 C ATOM 282 C ALA A 18 -6.631 5.911 -5.652 1.00 0.00 C ATOM 283 O ALA A 18 -6.166 4.831 -5.962 1.00 0.00 O ATOM 284 CB ALA A 18 -7.650 6.725 -3.517 1.00 0.00 C ATOM 0 H ALA A 18 -7.788 3.891 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.658 6.586 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.257 7.722 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.577 6.806 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.921 6.155 -2.942 1.00 0.00 H new ATOM 290 N ASN A 19 -6.038 7.033 -5.982 1.00 0.00 N ATOM 291 CA ASN A 19 -4.754 7.030 -6.758 1.00 0.00 C ATOM 292 C ASN A 19 -3.668 7.662 -5.892 1.00 0.00 C ATOM 293 O ASN A 19 -3.861 8.730 -5.338 1.00 0.00 O ATOM 294 CB ASN A 19 -4.931 7.855 -8.026 1.00 0.00 C ATOM 295 CG ASN A 19 -6.127 7.317 -8.811 1.00 0.00 C ATOM 296 OD1 ASN A 19 -5.961 6.632 -9.798 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.333 7.595 -8.406 1.00 0.00 N ATOM 0 H ASN A 19 -6.391 7.960 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.477 6.011 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.088 8.904 -7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.029 7.806 -8.635 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.139 7.237 -8.919 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.472 8.171 -7.576 1.00 0.00 H new ATOM 304 N LEU A 20 -2.522 7.024 -5.773 1.00 0.00 N ATOM 305 CA LEU A 20 -1.410 7.578 -4.934 1.00 0.00 C ATOM 306 C LEU A 20 -0.191 7.883 -5.802 1.00 0.00 C ATOM 307 O LEU A 20 0.099 7.200 -6.765 1.00 0.00 O ATOM 308 CB LEU A 20 -1.024 6.541 -3.862 1.00 0.00 C ATOM 309 CG LEU A 20 -1.889 6.737 -2.604 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.536 8.087 -1.921 1.00 0.00 C ATOM 311 CD2 LEU A 20 -3.384 6.705 -2.996 1.00 0.00 C ATOM 0 H LEU A 20 -2.311 6.135 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.746 8.501 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.160 5.533 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.031 6.644 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.690 5.931 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.153 8.217 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.484 8.086 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.723 8.906 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.997 6.844 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.591 7.505 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.620 5.744 -3.453 1.00 0.00 H new ATOM 323 N LYS A 21 0.527 8.912 -5.444 1.00 0.00 N ATOM 324 CA LYS A 21 1.747 9.304 -6.201 1.00 0.00 C ATOM 325 C LYS A 21 2.865 9.638 -5.209 1.00 0.00 C ATOM 326 O LYS A 21 2.673 10.379 -4.263 1.00 0.00 O ATOM 327 CB LYS A 21 1.438 10.525 -7.067 1.00 0.00 C ATOM 328 CG LYS A 21 2.530 10.683 -8.133 1.00 0.00 C ATOM 329 CD LYS A 21 2.163 11.818 -9.103 1.00 0.00 C ATOM 330 CE LYS A 21 2.542 13.172 -8.493 1.00 0.00 C ATOM 331 NZ LYS A 21 3.997 13.180 -8.170 1.00 0.00 N ATOM 0 H LYS A 21 0.314 9.508 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 21 2.065 8.483 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.464 10.410 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.387 11.420 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.486 10.897 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.650 9.749 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.682 11.679 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.095 11.793 -9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.309 13.976 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.957 13.353 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.376 14.140 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.135 12.882 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.497 12.523 -8.803 1.00 0.00 H new ATOM 345 N ALA A 22 4.026 9.094 -5.424 1.00 0.00 N ATOM 346 CA ALA A 22 5.155 9.376 -4.496 1.00 0.00 C ATOM 347 C ALA A 22 6.454 8.749 -5.005 1.00 0.00 C ATOM 348 O ALA A 22 6.528 8.213 -6.093 1.00 0.00 O ATOM 349 CB ALA A 22 4.818 8.822 -3.105 1.00 0.00 C ATOM 0 H ALA A 22 4.244 8.468 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 22 5.300 10.455 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.643 9.027 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.912 9.300 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.660 7.746 -3.171 1.00 0.00 H new ATOM 355 N LYS A 23 7.478 8.833 -4.197 1.00 0.00 N ATOM 356 CA LYS A 23 8.814 8.267 -4.570 1.00 0.00 C ATOM 357 C LYS A 23 9.139 7.068 -3.680 1.00 0.00 C ATOM 358 O LYS A 23 8.700 6.980 -2.554 1.00 0.00 O ATOM 359 CB LYS A 23 9.887 9.341 -4.400 1.00 0.00 C ATOM 360 CG LYS A 23 11.199 8.880 -5.054 1.00 0.00 C ATOM 361 CD LYS A 23 12.366 9.710 -4.516 1.00 0.00 C ATOM 362 CE LYS A 23 12.218 11.156 -4.974 1.00 0.00 C ATOM 363 NZ LYS A 23 13.454 11.912 -4.634 1.00 0.00 N ATOM 0 H LYS A 23 7.447 9.277 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 23 8.788 7.940 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.554 10.275 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.049 9.540 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.367 7.823 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.133 8.987 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.387 9.663 -3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.311 9.300 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.041 11.192 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.354 11.615 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.200 12.873 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.958 11.425 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.069 11.967 -5.471 1.00 0.00 H new ATOM 377 N VAL A 24 9.902 6.134 -4.182 1.00 0.00 N ATOM 378 CA VAL A 24 10.251 4.934 -3.367 1.00 0.00 C ATOM 379 C VAL A 24 11.486 5.229 -2.512 1.00 0.00 C ATOM 380 O VAL A 24 12.612 5.095 -2.954 1.00 0.00 O ATOM 381 CB VAL A 24 10.540 3.772 -4.312 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.048 2.567 -3.517 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.255 3.392 -5.048 1.00 0.00 C ATOM 0 H VAL A 24 10.299 6.150 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 24 9.422 4.678 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 24 11.303 4.072 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.252 1.741 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.963 2.838 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.291 2.262 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.455 2.562 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.496 3.095 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.896 4.248 -5.620 1.00 0.00 H new ATOM 393 N ILE A 25 11.278 5.631 -1.288 1.00 0.00 N ATOM 394 CA ILE A 25 12.429 5.941 -0.389 1.00 0.00 C ATOM 395 C ILE A 25 13.108 4.643 0.050 1.00 0.00 C ATOM 396 O ILE A 25 14.282 4.623 0.360 1.00 0.00 O ATOM 397 CB ILE A 25 11.927 6.692 0.846 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.995 7.827 0.413 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.116 7.272 1.615 1.00 0.00 C ATOM 400 CD1 ILE A 25 11.667 8.683 -0.667 1.00 0.00 C ATOM 0 H ILE A 25 10.357 5.759 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 25 13.146 6.560 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 25 11.383 6.002 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.061 7.414 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.742 8.447 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.755 7.806 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.777 6.463 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.664 7.960 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.994 9.486 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.588 9.110 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.897 8.062 -1.533 1.00 0.00 H new ATOM 412 N GLN A 26 12.384 3.553 0.084 1.00 0.00 N ATOM 413 CA GLN A 26 12.998 2.255 0.508 1.00 0.00 C ATOM 414 C GLN A 26 12.407 1.120 -0.323 1.00 0.00 C ATOM 415 O GLN A 26 11.216 0.879 -0.301 1.00 0.00 O ATOM 416 CB GLN A 26 12.692 2.005 1.987 1.00 0.00 C ATOM 417 CG GLN A 26 13.394 0.727 2.448 1.00 0.00 C ATOM 418 CD GLN A 26 13.214 0.562 3.959 1.00 0.00 C ATOM 419 OE1 GLN A 26 12.867 1.501 4.648 1.00 0.00 O ATOM 420 NE2 GLN A 26 13.437 -0.602 4.508 1.00 0.00 N ATOM 0 H GLN A 26 11.396 3.504 -0.163 1.00 0.00 H new ATOM 0 HA GLN A 26 14.077 2.299 0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.027 2.852 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.616 1.915 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.981 -0.136 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.454 0.772 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.728 -1.391 3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.320 -0.722 5.514 1.00 0.00 H new ATOM 429 N LEU A 27 13.235 0.421 -1.061 1.00 0.00 N ATOM 430 CA LEU A 27 12.745 -0.704 -1.905 1.00 0.00 C ATOM 431 C LEU A 27 13.220 -2.025 -1.305 1.00 0.00 C ATOM 432 O LEU A 27 14.317 -2.126 -0.789 1.00 0.00 O ATOM 433 CB LEU A 27 13.307 -0.557 -3.325 1.00 0.00 C ATOM 434 CG LEU A 27 12.842 -1.734 -4.190 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.303 -1.768 -4.256 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.423 -1.585 -5.600 1.00 0.00 C ATOM 0 H LEU A 27 14.240 0.587 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 27 11.656 -0.689 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.972 0.383 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.396 -0.524 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 27 13.192 -2.667 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.984 -2.608 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.898 -1.882 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.937 -0.838 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.095 -2.420 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.076 -0.650 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.512 -1.579 -5.546 1.00 0.00 H new ATOM 448 N TRP A 28 12.404 -3.045 -1.380 1.00 0.00 N ATOM 449 CA TRP A 28 12.797 -4.374 -0.829 1.00 0.00 C ATOM 450 C TRP A 28 12.318 -5.485 -1.773 1.00 0.00 C ATOM 451 O TRP A 28 11.140 -5.783 -1.861 1.00 0.00 O ATOM 452 CB TRP A 28 12.159 -4.556 0.542 1.00 0.00 C ATOM 453 CG TRP A 28 12.729 -5.768 1.197 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.075 -6.937 1.366 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.056 -5.953 1.768 1.00 0.00 C ATOM 456 NE1 TRP A 28 12.913 -7.829 2.006 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.146 -7.271 2.276 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.180 -5.114 1.896 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.308 -7.741 2.888 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.352 -5.585 2.511 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.414 -6.895 3.006 1.00 0.00 C ATOM 0 H TRP A 28 11.476 -3.012 -1.803 1.00 0.00 H new ATOM 0 HA TRP A 28 13.882 -4.426 -0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.341 -3.676 1.159 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.078 -4.658 0.442 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.062 -7.141 1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.652 -8.785 2.250 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.141 -4.103 1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.353 -8.751 3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.209 -4.935 2.603 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.317 -7.251 3.479 1.00 0.00 H new ATOM 472 N GLU A 29 13.231 -6.093 -2.476 1.00 0.00 N ATOM 473 CA GLU A 29 12.855 -7.187 -3.420 1.00 0.00 C ATOM 474 C GLU A 29 12.483 -8.438 -2.618 1.00 0.00 C ATOM 475 O GLU A 29 13.302 -9.002 -1.919 1.00 0.00 O ATOM 476 CB GLU A 29 14.038 -7.498 -4.341 1.00 0.00 C ATOM 477 CG GLU A 29 13.647 -8.588 -5.344 1.00 0.00 C ATOM 478 CD GLU A 29 14.821 -8.858 -6.286 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.729 -8.042 -6.318 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.796 -9.876 -6.956 1.00 0.00 O ATOM 0 H GLU A 29 14.228 -5.880 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 29 12.003 -6.874 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.344 -6.596 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.893 -7.825 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.373 -9.501 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.773 -8.275 -5.915 1.00 0.00 H new ATOM 487 N ASN A 30 11.252 -8.881 -2.717 1.00 0.00 N ATOM 488 CA ASN A 30 10.815 -10.099 -1.966 1.00 0.00 C ATOM 489 C ASN A 30 10.753 -11.286 -2.927 1.00 0.00 C ATOM 490 O ASN A 30 10.235 -11.183 -4.021 1.00 0.00 O ATOM 491 CB ASN A 30 9.427 -9.853 -1.370 1.00 0.00 C ATOM 492 CG ASN A 30 9.105 -10.943 -0.345 1.00 0.00 C ATOM 493 OD1 ASN A 30 9.637 -12.034 -0.411 1.00 0.00 O ATOM 494 ND2 ASN A 30 8.252 -10.689 0.608 1.00 0.00 N ATOM 0 H ASN A 30 10.528 -8.448 -3.290 1.00 0.00 H new ATOM 0 HA ASN A 30 11.523 -10.313 -1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.393 -8.872 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.676 -9.850 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.031 -11.406 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.806 -9.773 0.663 1.00 0.00 H new ATOM 501 N THR A 31 11.284 -12.413 -2.527 1.00 0.00 N ATOM 502 CA THR A 31 11.270 -13.621 -3.409 1.00 0.00 C ATOM 503 C THR A 31 10.184 -14.582 -2.917 1.00 0.00 C ATOM 504 O THR A 31 10.108 -15.719 -3.339 1.00 0.00 O ATOM 505 CB THR A 31 12.645 -14.312 -3.355 1.00 0.00 C ATOM 506 OG1 THR A 31 12.477 -15.716 -3.480 1.00 0.00 O ATOM 507 CG2 THR A 31 13.336 -13.999 -2.023 1.00 0.00 C ATOM 0 H THR A 31 11.730 -12.550 -1.620 1.00 0.00 H new ATOM 0 HA THR A 31 11.060 -13.329 -4.438 1.00 0.00 H new ATOM 0 HB THR A 31 13.261 -13.943 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.632 -15.905 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.308 -14.491 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.472 -12.922 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.720 -14.361 -1.200 1.00 0.00 H new ATOM 515 N HIS A 32 9.344 -14.127 -2.025 1.00 0.00 N ATOM 516 CA HIS A 32 8.259 -15.003 -1.495 1.00 0.00 C ATOM 517 C HIS A 32 7.103 -15.066 -2.502 1.00 0.00 C ATOM 518 O HIS A 32 6.833 -14.118 -3.212 1.00 0.00 O ATOM 519 CB HIS A 32 7.759 -14.427 -0.167 1.00 0.00 C ATOM 520 CG HIS A 32 8.796 -14.658 0.901 1.00 0.00 C ATOM 521 ND1 HIS A 32 10.084 -14.149 0.808 1.00 0.00 N ATOM 522 CD2 HIS A 32 8.750 -15.340 2.092 1.00 0.00 C ATOM 523 CE1 HIS A 32 10.752 -14.530 1.913 1.00 0.00 C ATOM 524 NE2 HIS A 32 9.985 -15.259 2.729 1.00 0.00 N ATOM 0 H HIS A 32 9.363 -13.183 -1.640 1.00 0.00 H new ATOM 0 HA HIS A 32 8.644 -16.010 -1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.561 -13.360 -0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.818 -14.900 0.116 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.457 -13.588 0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.886 -15.861 2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.782 -14.277 2.115 1.00 0.00 H new ATOM 532 N GLU A 33 6.424 -16.183 -2.571 1.00 0.00 N ATOM 533 CA GLU A 33 5.289 -16.321 -3.531 1.00 0.00 C ATOM 534 C GLU A 33 4.109 -15.455 -3.078 1.00 0.00 C ATOM 535 O GLU A 33 3.453 -14.818 -3.878 1.00 0.00 O ATOM 536 CB GLU A 33 4.858 -17.788 -3.590 1.00 0.00 C ATOM 537 CG GLU A 33 5.962 -18.612 -4.256 1.00 0.00 C ATOM 538 CD GLU A 33 5.589 -20.095 -4.231 1.00 0.00 C ATOM 539 OE1 GLU A 33 4.540 -20.414 -3.695 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.360 -20.888 -4.747 1.00 0.00 O ATOM 0 H GLU A 33 6.608 -17.008 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 33 5.609 -15.990 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.664 -18.163 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.928 -17.884 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.105 -18.281 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.908 -18.457 -3.737 1.00 0.00 H new ATOM 547 N SER A 34 3.829 -15.431 -1.802 1.00 0.00 N ATOM 548 CA SER A 34 2.691 -14.604 -1.310 1.00 0.00 C ATOM 549 C SER A 34 2.981 -13.131 -1.586 1.00 0.00 C ATOM 550 O SER A 34 2.172 -12.426 -2.157 1.00 0.00 O ATOM 551 CB SER A 34 2.530 -14.807 0.194 1.00 0.00 C ATOM 552 OG SER A 34 1.723 -13.762 0.723 1.00 0.00 O ATOM 0 H SER A 34 4.337 -15.946 -1.083 1.00 0.00 H new ATOM 0 HA SER A 34 1.776 -14.903 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.071 -15.775 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.506 -14.810 0.679 1.00 0.00 H new ATOM 0 HG SER A 34 1.615 -13.889 1.689 1.00 0.00 H new ATOM 558 N ILE A 35 4.134 -12.662 -1.181 1.00 0.00 N ATOM 559 CA ILE A 35 4.502 -11.232 -1.403 1.00 0.00 C ATOM 560 C ILE A 35 5.549 -11.143 -2.507 1.00 0.00 C ATOM 561 O ILE A 35 6.517 -11.877 -2.529 1.00 0.00 O ATOM 562 CB ILE A 35 5.073 -10.644 -0.115 1.00 0.00 C ATOM 563 CG1 ILE A 35 4.002 -10.683 0.977 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.494 -9.196 -0.368 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.639 -10.375 2.332 1.00 0.00 C ATOM 0 H ILE A 35 4.843 -13.216 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 35 3.614 -10.671 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 35 5.938 -11.225 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.219 -9.957 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.529 -11.665 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.903 -8.770 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.252 -9.169 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.627 -8.615 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.874 -10.403 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.406 -11.118 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.092 -9.384 2.304 1.00 0.00 H new ATOM 577 N SER A 36 5.357 -10.240 -3.429 1.00 0.00 N ATOM 578 CA SER A 36 6.323 -10.077 -4.552 1.00 0.00 C ATOM 579 C SER A 36 7.290 -8.934 -4.242 1.00 0.00 C ATOM 580 O SER A 36 8.495 -9.076 -4.357 1.00 0.00 O ATOM 581 CB SER A 36 5.551 -9.746 -5.824 1.00 0.00 C ATOM 582 OG SER A 36 6.447 -9.230 -6.797 1.00 0.00 O ATOM 0 H SER A 36 4.562 -9.601 -3.452 1.00 0.00 H new ATOM 0 HA SER A 36 6.887 -11.001 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.057 -10.639 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.770 -9.017 -5.609 1.00 0.00 H new ATOM 0 HG SER A 36 5.953 -9.018 -7.616 1.00 0.00 H new ATOM 588 N GLN A 37 6.779 -7.792 -3.861 1.00 0.00 N ATOM 589 CA GLN A 37 7.682 -6.645 -3.561 1.00 0.00 C ATOM 590 C GLN A 37 7.056 -5.748 -2.494 1.00 0.00 C ATOM 591 O GLN A 37 5.853 -5.583 -2.426 1.00 0.00 O ATOM 592 CB GLN A 37 7.895 -5.833 -4.838 1.00 0.00 C ATOM 593 CG GLN A 37 9.000 -4.809 -4.611 1.00 0.00 C ATOM 594 CD GLN A 37 9.243 -4.032 -5.905 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.370 -3.333 -6.382 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.399 -4.131 -6.501 1.00 0.00 N ATOM 0 H GLN A 37 5.783 -7.606 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 37 8.635 -7.024 -3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.162 -6.495 -5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.970 -5.329 -5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.719 -4.125 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.916 -5.309 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.131 -4.718 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.571 -3.622 -7.368 1.00 0.00 H new ATOM 605 N VAL A 38 7.874 -5.155 -1.667 1.00 0.00 N ATOM 606 CA VAL A 38 7.358 -4.248 -0.600 1.00 0.00 C ATOM 607 C VAL A 38 8.359 -3.114 -0.393 1.00 0.00 C ATOM 608 O VAL A 38 9.539 -3.265 -0.640 1.00 0.00 O ATOM 609 CB VAL A 38 7.188 -5.029 0.705 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.550 -5.543 1.177 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.592 -4.111 1.777 1.00 0.00 C ATOM 0 H VAL A 38 8.888 -5.261 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 38 6.392 -3.841 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 38 6.520 -5.873 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.427 -6.099 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.975 -6.198 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.219 -4.699 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.471 -4.668 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.260 -3.266 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.621 -3.746 1.444 1.00 0.00 H new ATOM 621 N GLY A 39 7.907 -1.979 0.055 1.00 0.00 N ATOM 622 CA GLY A 39 8.853 -0.854 0.269 1.00 0.00 C ATOM 623 C GLY A 39 8.134 0.308 0.946 1.00 0.00 C ATOM 624 O GLY A 39 7.077 0.152 1.532 1.00 0.00 O ATOM 0 H GLY A 39 6.932 -1.783 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.690 -1.183 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.268 -0.530 -0.685 1.00 0.00 H new ATOM 628 N LEU A 40 8.714 1.475 0.863 1.00 0.00 N ATOM 629 CA LEU A 40 8.109 2.685 1.497 1.00 0.00 C ATOM 630 C LEU A 40 7.931 3.782 0.452 1.00 0.00 C ATOM 631 O LEU A 40 8.719 3.910 -0.465 1.00 0.00 O ATOM 632 CB LEU A 40 9.039 3.184 2.597 1.00 0.00 C ATOM 633 CG LEU A 40 8.375 4.366 3.368 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.241 4.025 4.856 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.225 5.638 3.218 1.00 0.00 C ATOM 0 H LEU A 40 9.594 1.645 0.376 1.00 0.00 H new ATOM 0 HA LEU A 40 7.136 2.429 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.266 2.372 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.985 3.508 2.164 1.00 0.00 H new ATOM 0 HG LEU A 40 7.384 4.536 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.776 4.860 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.623 3.135 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.229 3.838 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.753 6.457 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.221 5.460 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.305 5.900 2.163 1.00 0.00 H new ATOM 647 N LEU A 41 6.896 4.577 0.583 1.00 0.00 N ATOM 648 CA LEU A 41 6.644 5.675 -0.401 1.00 0.00 C ATOM 649 C LEU A 41 6.844 7.028 0.284 1.00 0.00 C ATOM 650 O LEU A 41 6.274 7.306 1.322 1.00 0.00 O ATOM 651 CB LEU A 41 5.207 5.565 -0.909 1.00 0.00 C ATOM 652 CG LEU A 41 4.971 4.161 -1.474 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.521 4.041 -1.951 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.928 3.898 -2.649 1.00 0.00 C ATOM 0 H LEU A 41 6.211 4.511 1.335 1.00 0.00 H new ATOM 0 HA LEU A 41 7.338 5.590 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.507 5.764 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.024 6.314 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 41 5.160 3.424 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.352 3.042 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.847 4.213 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.331 4.782 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.753 2.897 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.752 4.634 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.959 3.976 -2.303 1.00 0.00 H new ATOM 666 N GLY A 42 7.663 7.865 -0.299 1.00 0.00 N ATOM 667 CA GLY A 42 7.935 9.209 0.289 1.00 0.00 C ATOM 668 C GLY A 42 7.058 10.261 -0.388 1.00 0.00 C ATOM 669 O GLY A 42 7.351 10.717 -1.477 1.00 0.00 O ATOM 0 H GLY A 42 8.160 7.671 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.737 9.193 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.987 9.464 0.163 1.00 0.00 H new ATOM 673 N ASP A 43 5.987 10.657 0.250 1.00 0.00 N ATOM 674 CA ASP A 43 5.087 11.692 -0.346 1.00 0.00 C ATOM 675 C ASP A 43 5.367 13.045 0.309 1.00 0.00 C ATOM 676 O ASP A 43 5.953 13.128 1.370 1.00 0.00 O ATOM 677 CB ASP A 43 3.627 11.308 -0.104 1.00 0.00 C ATOM 678 CG ASP A 43 2.718 12.189 -0.964 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.217 12.784 -1.905 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.537 12.255 -0.666 1.00 0.00 O ATOM 0 H ASP A 43 5.695 10.307 1.162 1.00 0.00 H new ATOM 0 HA ASP A 43 5.272 11.756 -1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.471 10.257 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.378 11.430 0.950 1.00 0.00 H new ATOM 685 N GLU A 44 4.939 14.103 -0.319 1.00 0.00 N ATOM 686 CA GLU A 44 5.157 15.463 0.243 1.00 0.00 C ATOM 687 C GLU A 44 4.247 15.678 1.453 1.00 0.00 C ATOM 688 O GLU A 44 4.505 16.519 2.293 1.00 0.00 O ATOM 689 CB GLU A 44 4.835 16.497 -0.837 1.00 0.00 C ATOM 690 CG GLU A 44 3.366 16.361 -1.244 1.00 0.00 C ATOM 691 CD GLU A 44 3.080 17.257 -2.449 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.680 18.317 -2.531 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.269 16.867 -3.273 1.00 0.00 O ATOM 0 H GLU A 44 4.441 14.082 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 44 6.194 15.569 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.029 17.502 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.480 16.348 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.141 15.323 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.721 16.639 -0.411 1.00 0.00 H new ATOM 700 N THR A 45 3.179 14.930 1.549 1.00 0.00 N ATOM 701 CA THR A 45 2.247 15.096 2.703 1.00 0.00 C ATOM 702 C THR A 45 2.628 14.103 3.802 1.00 0.00 C ATOM 703 O THR A 45 2.223 14.239 4.940 1.00 0.00 O ATOM 704 CB THR A 45 0.812 14.820 2.237 1.00 0.00 C ATOM 705 OG1 THR A 45 0.597 13.418 2.181 1.00 0.00 O ATOM 706 CG2 THR A 45 0.596 15.424 0.848 1.00 0.00 C ATOM 0 H THR A 45 2.912 14.211 0.877 1.00 0.00 H new ATOM 0 HA THR A 45 2.314 16.113 3.090 1.00 0.00 H new ATOM 0 HB THR A 45 0.110 15.271 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.886 13.077 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.424 15.226 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.761 16.501 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.297 14.976 0.144 1.00 0.00 H new ATOM 714 N GLY A 46 3.412 13.109 3.479 1.00 0.00 N ATOM 715 CA GLY A 46 3.817 12.121 4.518 1.00 0.00 C ATOM 716 C GLY A 46 4.410 10.878 3.855 1.00 0.00 C ATOM 717 O GLY A 46 4.888 10.927 2.739 1.00 0.00 O ATOM 0 H GLY A 46 3.787 12.940 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.548 12.568 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.954 11.844 5.124 1.00 0.00 H new ATOM 721 N ILE A 47 4.387 9.763 4.542 1.00 0.00 N ATOM 722 CA ILE A 47 4.954 8.503 3.966 1.00 0.00 C ATOM 723 C ILE A 47 4.033 7.326 4.281 1.00 0.00 C ATOM 724 O ILE A 47 3.192 7.397 5.157 1.00 0.00 O ATOM 725 CB ILE A 47 6.338 8.249 4.571 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.215 7.933 6.071 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.214 9.495 4.386 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.613 7.809 6.680 1.00 0.00 C ATOM 0 H ILE A 47 3.999 9.670 5.481 1.00 0.00 H new ATOM 0 HA ILE A 47 5.040 8.607 2.884 1.00 0.00 H new ATOM 0 HB ILE A 47 6.793 7.398 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.655 8.721 6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.660 7.006 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.199 9.314 4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.317 9.713 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.749 10.344 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.528 7.585 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.157 7.006 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.152 8.748 6.549 1.00 0.00 H new ATOM 740 N ILE A 48 4.192 6.234 3.583 1.00 0.00 N ATOM 741 CA ILE A 48 3.334 5.049 3.854 1.00 0.00 C ATOM 742 C ILE A 48 3.973 3.800 3.247 1.00 0.00 C ATOM 743 O ILE A 48 4.703 3.867 2.277 1.00 0.00 O ATOM 744 CB ILE A 48 1.947 5.262 3.255 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.040 4.097 3.648 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.050 5.340 1.733 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.411 4.458 3.333 1.00 0.00 C ATOM 0 H ILE A 48 4.878 6.113 2.838 1.00 0.00 H new ATOM 0 HA ILE A 48 3.239 4.917 4.932 1.00 0.00 H new ATOM 0 HB ILE A 48 1.528 6.194 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.329 3.197 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.150 3.878 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.058 5.492 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.696 6.173 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.470 4.411 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.061 3.629 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.695 5.347 3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.513 4.656 2.266 1.00 0.00 H new ATOM 759 N LYS A 49 3.707 2.657 3.820 1.00 0.00 N ATOM 760 CA LYS A 49 4.294 1.387 3.295 1.00 0.00 C ATOM 761 C LYS A 49 3.290 0.688 2.386 1.00 0.00 C ATOM 762 O LYS A 49 2.106 0.648 2.675 1.00 0.00 O ATOM 763 CB LYS A 49 4.618 0.465 4.468 1.00 0.00 C ATOM 764 CG LYS A 49 5.796 1.038 5.249 1.00 0.00 C ATOM 765 CD LYS A 49 6.026 0.199 6.508 1.00 0.00 C ATOM 766 CE LYS A 49 6.400 -1.241 6.125 1.00 0.00 C ATOM 767 NZ LYS A 49 5.156 -2.036 5.926 1.00 0.00 N ATOM 0 H LYS A 49 3.104 2.546 4.635 1.00 0.00 H new ATOM 0 HA LYS A 49 5.198 1.616 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.749 0.366 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.859 -0.534 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.693 1.037 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.597 2.075 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.821 0.641 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.126 0.197 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.997 -1.244 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.011 -1.691 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.151 -2.843 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.327 -1.435 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.120 -2.386 4.947 1.00 0.00 H new ATOM 781 N PHE A 50 3.737 0.138 1.278 1.00 0.00 N ATOM 782 CA PHE A 50 2.798 -0.556 0.345 1.00 0.00 C ATOM 783 C PHE A 50 3.381 -1.921 -0.021 1.00 0.00 C ATOM 784 O PHE A 50 4.578 -2.138 0.055 1.00 0.00 O ATOM 785 CB PHE A 50 2.620 0.295 -0.923 1.00 0.00 C ATOM 786 CG PHE A 50 3.844 0.193 -1.821 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.086 0.676 -1.386 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.732 -0.391 -3.092 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.209 0.577 -2.220 1.00 0.00 C ATOM 790 CE2 PHE A 50 4.854 -0.489 -3.921 1.00 0.00 C ATOM 791 CZ PHE A 50 6.092 -0.005 -3.488 1.00 0.00 C ATOM 0 H PHE A 50 4.713 0.142 0.983 1.00 0.00 H new ATOM 0 HA PHE A 50 1.828 -0.692 0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.736 -0.037 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.452 1.336 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.178 1.125 -0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.777 -0.766 -3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.165 0.950 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.764 -0.940 -4.898 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.957 -0.080 -4.131 1.00 0.00 H new ATOM 801 N THR A 51 2.538 -2.843 -0.412 1.00 0.00 N ATOM 802 CA THR A 51 3.014 -4.210 -0.783 1.00 0.00 C ATOM 803 C THR A 51 2.401 -4.622 -2.124 1.00 0.00 C ATOM 804 O THR A 51 1.214 -4.490 -2.346 1.00 0.00 O ATOM 805 CB THR A 51 2.586 -5.199 0.300 1.00 0.00 C ATOM 806 OG1 THR A 51 3.101 -4.772 1.552 1.00 0.00 O ATOM 807 CG2 THR A 51 3.139 -6.584 -0.032 1.00 0.00 C ATOM 0 H THR A 51 1.530 -2.705 -0.491 1.00 0.00 H new ATOM 0 HA THR A 51 4.100 -4.208 -0.871 1.00 0.00 H new ATOM 0 HB THR A 51 1.498 -5.244 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.828 -5.403 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.835 -7.292 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.750 -6.909 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.227 -6.540 -0.076 1.00 0.00 H new ATOM 815 N ILE A 52 3.211 -5.121 -3.019 1.00 0.00 N ATOM 816 CA ILE A 52 2.698 -5.545 -4.357 1.00 0.00 C ATOM 817 C ILE A 52 2.473 -7.055 -4.367 1.00 0.00 C ATOM 818 O ILE A 52 3.342 -7.825 -4.010 1.00 0.00 O ATOM 819 CB ILE A 52 3.724 -5.180 -5.426 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.915 -3.659 -5.451 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.230 -5.655 -6.792 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.128 -3.290 -6.316 1.00 0.00 C ATOM 0 H ILE A 52 4.213 -5.254 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 52 1.755 -5.039 -4.562 1.00 0.00 H new ATOM 0 HB ILE A 52 4.674 -5.662 -5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.019 -3.179 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.056 -3.286 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.963 -5.394 -7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.094 -6.736 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.279 -5.174 -7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.252 -2.207 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.024 -3.755 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.971 -3.646 -7.334 1.00 0.00 H new ATOM 834 N TRP A 53 1.305 -7.483 -4.764 1.00 0.00 N ATOM 835 CA TRP A 53 1.005 -8.943 -4.787 1.00 0.00 C ATOM 836 C TRP A 53 1.497 -9.569 -6.094 1.00 0.00 C ATOM 837 O TRP A 53 1.433 -8.968 -7.147 1.00 0.00 O ATOM 838 CB TRP A 53 -0.507 -9.136 -4.671 1.00 0.00 C ATOM 839 CG TRP A 53 -0.947 -8.751 -3.297 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.531 -7.577 -2.965 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.846 -9.521 -2.066 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.792 -7.577 -1.607 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.389 -8.755 -1.009 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.341 -10.799 -1.769 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.427 -9.239 0.299 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.377 -11.291 -0.455 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.920 -10.512 0.578 1.00 0.00 C ATOM 0 H TRP A 53 0.542 -6.881 -5.075 1.00 0.00 H new ATOM 0 HA TRP A 53 1.514 -9.428 -3.954 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -1.021 -8.527 -5.415 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.770 -10.175 -4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.756 -6.772 -3.648 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.229 -6.802 -1.108 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.078 -11.407 -2.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.845 -8.635 1.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.015 -12.274 -0.238 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.946 -10.895 1.587 1.00 0.00 H new ATOM 858 N LYS A 54 1.984 -10.779 -6.028 1.00 0.00 N ATOM 859 CA LYS A 54 2.482 -11.464 -7.250 1.00 0.00 C ATOM 860 C LYS A 54 1.345 -11.578 -8.267 1.00 0.00 C ATOM 861 O LYS A 54 1.554 -11.494 -9.462 1.00 0.00 O ATOM 862 CB LYS A 54 2.960 -12.866 -6.855 1.00 0.00 C ATOM 863 CG LYS A 54 3.929 -13.409 -7.908 1.00 0.00 C ATOM 864 CD LYS A 54 4.522 -14.737 -7.425 1.00 0.00 C ATOM 865 CE LYS A 54 3.480 -15.859 -7.541 1.00 0.00 C ATOM 866 NZ LYS A 54 4.148 -17.177 -7.362 1.00 0.00 N ATOM 0 H LYS A 54 2.058 -11.325 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 54 3.302 -10.899 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.451 -12.830 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.105 -13.535 -6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.409 -13.554 -8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.726 -12.688 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.403 -14.987 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.850 -14.642 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.703 -15.728 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.991 -15.816 -8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.443 -17.937 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.874 -17.301 -8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.595 -17.215 -6.424 1.00 0.00 H new ATOM 880 N ASN A 55 0.146 -11.778 -7.800 1.00 0.00 N ATOM 881 CA ASN A 55 -1.008 -11.911 -8.729 1.00 0.00 C ATOM 882 C ASN A 55 -1.133 -10.643 -9.576 1.00 0.00 C ATOM 883 O ASN A 55 -1.888 -10.595 -10.527 1.00 0.00 O ATOM 884 CB ASN A 55 -2.285 -12.113 -7.911 1.00 0.00 C ATOM 885 CG ASN A 55 -3.491 -12.191 -8.848 1.00 0.00 C ATOM 886 OD1 ASN A 55 -4.051 -11.179 -9.221 1.00 0.00 O ATOM 887 ND2 ASN A 55 -3.920 -13.357 -9.243 1.00 0.00 N ATOM 0 H ASN A 55 -0.085 -11.855 -6.810 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.855 -12.766 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.210 -13.027 -7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.412 -11.290 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.726 -13.420 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.450 -14.206 -8.930 1.00 0.00 H new ATOM 894 N ALA A 56 -0.391 -9.617 -9.248 1.00 0.00 N ATOM 895 CA ALA A 56 -0.462 -8.358 -10.043 1.00 0.00 C ATOM 896 C ALA A 56 0.504 -8.465 -11.230 1.00 0.00 C ATOM 897 O ALA A 56 0.300 -7.867 -12.270 1.00 0.00 O ATOM 898 CB ALA A 56 -0.066 -7.174 -9.151 1.00 0.00 C ATOM 0 H ALA A 56 0.261 -9.598 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.476 -8.203 -10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.116 -6.251 -9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.750 -7.111 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.951 -7.318 -8.785 1.00 0.00 H new ATOM 904 N GLU A 57 1.552 -9.233 -11.073 1.00 0.00 N ATOM 905 CA GLU A 57 2.544 -9.405 -12.173 1.00 0.00 C ATOM 906 C GLU A 57 2.889 -8.050 -12.775 1.00 0.00 C ATOM 907 O GLU A 57 2.854 -7.870 -13.977 1.00 0.00 O ATOM 908 CB GLU A 57 1.964 -10.318 -13.253 1.00 0.00 C ATOM 909 CG GLU A 57 1.816 -11.728 -12.680 1.00 0.00 C ATOM 910 CD GLU A 57 1.171 -12.645 -13.720 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.910 -12.175 -14.816 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.949 -13.802 -13.404 1.00 0.00 O ATOM 0 H GLU A 57 1.763 -9.752 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 57 3.450 -9.857 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.996 -9.942 -13.585 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.617 -10.332 -14.126 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.793 -12.118 -12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.206 -11.701 -11.777 1.00 0.00 H new ATOM 919 N LEU A 58 3.223 -7.091 -11.946 1.00 0.00 N ATOM 920 CA LEU A 58 3.575 -5.734 -12.464 1.00 0.00 C ATOM 921 C LEU A 58 5.103 -5.549 -12.441 1.00 0.00 C ATOM 922 O LEU A 58 5.785 -6.146 -11.633 1.00 0.00 O ATOM 923 CB LEU A 58 2.923 -4.667 -11.583 1.00 0.00 C ATOM 924 CG LEU A 58 1.423 -4.951 -11.461 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.809 -3.989 -10.443 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.738 -4.767 -12.825 1.00 0.00 C ATOM 0 H LEU A 58 3.267 -7.191 -10.932 1.00 0.00 H new ATOM 0 HA LEU A 58 3.214 -5.635 -13.488 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.385 -4.664 -10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.083 -3.678 -12.013 1.00 0.00 H new ATOM 0 HG LEU A 58 1.277 -5.979 -11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.259 -4.188 -10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.287 -4.131 -9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.960 -2.962 -10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.328 -4.971 -12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.881 -3.743 -13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.175 -5.456 -13.547 1.00 0.00 H new ATOM 938 N PRO A 59 5.639 -4.710 -13.307 1.00 0.00 N ATOM 939 CA PRO A 59 7.113 -4.445 -13.360 1.00 0.00 C ATOM 940 C PRO A 59 7.680 -3.974 -12.007 1.00 0.00 C ATOM 941 O PRO A 59 7.000 -3.354 -11.214 1.00 0.00 O ATOM 942 CB PRO A 59 7.260 -3.331 -14.415 1.00 0.00 C ATOM 943 CG PRO A 59 6.017 -3.390 -15.244 1.00 0.00 C ATOM 944 CD PRO A 59 4.914 -3.944 -14.344 1.00 0.00 C ATOM 0 HA PRO A 59 7.667 -5.352 -13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.368 -2.355 -13.941 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.147 -3.488 -15.028 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.752 -2.400 -15.615 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.163 -4.029 -16.115 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.320 -3.143 -13.904 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.228 -4.581 -14.902 1.00 0.00 H new ATOM 952 N LEU A 60 8.923 -4.283 -11.745 1.00 0.00 N ATOM 953 CA LEU A 60 9.551 -3.879 -10.454 1.00 0.00 C ATOM 954 C LEU A 60 9.759 -2.362 -10.415 1.00 0.00 C ATOM 955 O LEU A 60 10.123 -1.742 -11.396 1.00 0.00 O ATOM 956 CB LEU A 60 10.902 -4.583 -10.321 1.00 0.00 C ATOM 957 CG LEU A 60 10.711 -6.095 -10.489 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.074 -6.788 -10.424 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.803 -6.638 -9.371 1.00 0.00 C ATOM 0 H LEU A 60 9.534 -4.802 -12.376 1.00 0.00 H new ATOM 0 HA LEU A 60 8.896 -4.163 -9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.595 -4.208 -11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.342 -4.367 -9.347 1.00 0.00 H new ATOM 0 HG LEU A 60 10.244 -6.293 -11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.941 -7.863 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.713 -6.410 -11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.540 -6.584 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.673 -7.713 -9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.261 -6.440 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.831 -6.146 -9.420 1.00 0.00 H new ATOM 971 N LEU A 61 9.522 -1.770 -9.277 1.00 0.00 N ATOM 972 CA LEU A 61 9.686 -0.296 -9.131 1.00 0.00 C ATOM 973 C LEU A 61 11.161 0.044 -8.901 1.00 0.00 C ATOM 974 O LEU A 61 11.891 -0.696 -8.272 1.00 0.00 O ATOM 975 CB LEU A 61 8.858 0.181 -7.936 1.00 0.00 C ATOM 976 CG LEU A 61 7.379 0.227 -8.329 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.901 -1.182 -8.711 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.558 0.747 -7.146 1.00 0.00 C ATOM 0 H LEU A 61 9.218 -2.252 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 61 9.346 0.200 -10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.000 -0.491 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.192 1.169 -7.619 1.00 0.00 H new ATOM 0 HG LEU A 61 7.249 0.892 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.848 -1.146 -8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.487 -1.549 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.028 -1.852 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.504 0.781 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.688 0.082 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.896 1.749 -6.881 1.00 0.00 H new ATOM 990 N GLU A 62 11.606 1.162 -9.415 1.00 0.00 N ATOM 991 CA GLU A 62 13.037 1.559 -9.241 1.00 0.00 C ATOM 992 C GLU A 62 13.174 2.478 -8.024 1.00 0.00 C ATOM 993 O GLU A 62 12.461 3.452 -7.877 1.00 0.00 O ATOM 994 CB GLU A 62 13.502 2.290 -10.498 1.00 0.00 C ATOM 995 CG GLU A 62 13.501 1.310 -11.669 1.00 0.00 C ATOM 996 CD GLU A 62 13.885 2.045 -12.953 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.130 3.238 -12.878 1.00 0.00 O ATOM 998 OE2 GLU A 62 13.930 1.403 -13.988 1.00 0.00 O ATOM 0 H GLU A 62 11.038 1.820 -9.950 1.00 0.00 H new ATOM 0 HA GLU A 62 13.651 0.672 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.843 3.132 -10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.502 2.698 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.204 0.499 -11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.515 0.858 -11.778 1.00 0.00 H new ATOM 1005 N GLN A 63 14.081 2.158 -7.141 1.00 0.00 N ATOM 1006 CA GLN A 63 14.269 2.983 -5.914 1.00 0.00 C ATOM 1007 C GLN A 63 14.844 4.355 -6.271 1.00 0.00 C ATOM 1008 O GLN A 63 15.772 4.470 -7.047 1.00 0.00 O ATOM 1009 CB GLN A 63 15.227 2.265 -4.962 1.00 0.00 C ATOM 1010 CG GLN A 63 15.334 3.062 -3.662 1.00 0.00 C ATOM 1011 CD GLN A 63 16.139 2.268 -2.634 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.320 1.075 -2.774 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.633 2.885 -1.595 1.00 0.00 N ATOM 0 H GLN A 63 14.704 1.354 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 63 13.300 3.122 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.867 1.257 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.210 2.164 -5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.815 4.022 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.339 3.275 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.481 3.887 -1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.171 2.365 -0.901 1.00 0.00 H new ATOM 1022 N GLY A 64 14.307 5.401 -5.691 1.00 0.00 N ATOM 1023 CA GLY A 64 14.818 6.777 -5.972 1.00 0.00 C ATOM 1024 C GLY A 64 14.000 7.415 -7.094 1.00 0.00 C ATOM 1025 O GLY A 64 14.115 8.594 -7.366 1.00 0.00 O ATOM 0 H GLY A 64 13.531 5.359 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.756 7.388 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.869 6.733 -6.256 1.00 0.00 H new ATOM 1029 N GLU A 65 13.185 6.640 -7.762 1.00 0.00 N ATOM 1030 CA GLU A 65 12.367 7.186 -8.887 1.00 0.00 C ATOM 1031 C GLU A 65 10.940 7.483 -8.423 1.00 0.00 C ATOM 1032 O GLU A 65 10.481 7.007 -7.396 1.00 0.00 O ATOM 1033 CB GLU A 65 12.337 6.166 -10.028 1.00 0.00 C ATOM 1034 CG GLU A 65 13.720 6.075 -10.694 1.00 0.00 C ATOM 1035 CD GLU A 65 14.650 5.195 -9.853 1.00 0.00 C ATOM 1036 OE1 GLU A 65 14.229 4.761 -8.796 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.761 4.950 -10.298 1.00 0.00 O ATOM 0 H GLU A 65 13.050 5.646 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 65 12.817 8.117 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.045 5.188 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.588 6.456 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.623 5.661 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.148 7.072 -10.801 1.00 0.00 H new ATOM 1044 N SER A 66 10.247 8.280 -9.193 1.00 0.00 N ATOM 1045 CA SER A 66 8.841 8.648 -8.857 1.00 0.00 C ATOM 1046 C SER A 66 7.882 7.762 -9.649 1.00 0.00 C ATOM 1047 O SER A 66 8.074 7.516 -10.829 1.00 0.00 O ATOM 1048 CB SER A 66 8.594 10.114 -9.218 1.00 0.00 C ATOM 1049 OG SER A 66 8.246 10.206 -10.592 1.00 0.00 O ATOM 0 H SER A 66 10.602 8.697 -10.053 1.00 0.00 H new ATOM 0 HA SER A 66 8.674 8.505 -7.789 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.795 10.523 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.487 10.706 -9.017 1.00 0.00 H new ATOM 0 HG SER A 66 9.032 10.006 -11.143 1.00 0.00 H new ATOM 1055 N TYR A 67 6.847 7.286 -9.006 1.00 0.00 N ATOM 1056 CA TYR A 67 5.854 6.409 -9.693 1.00 0.00 C ATOM 1057 C TYR A 67 4.436 6.864 -9.362 1.00 0.00 C ATOM 1058 O TYR A 67 4.167 7.443 -8.325 1.00 0.00 O ATOM 1059 CB TYR A 67 6.038 4.960 -9.231 1.00 0.00 C ATOM 1060 CG TYR A 67 7.277 4.375 -9.870 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.262 4.027 -11.227 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.437 4.176 -9.111 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.404 3.483 -11.824 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.579 3.631 -9.709 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.562 3.284 -11.066 1.00 0.00 C ATOM 1066 OH TYR A 67 10.688 2.746 -11.654 1.00 0.00 O ATOM 0 H TYR A 67 6.646 7.470 -8.023 1.00 0.00 H new ATOM 0 HA TYR A 67 6.012 6.475 -10.769 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.125 4.923 -8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.164 4.368 -9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.368 4.179 -11.813 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.450 4.443 -8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.391 3.217 -12.871 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.474 3.478 -9.124 1.00 0.00 H new ATOM 0 HH TYR A 67 11.163 3.444 -12.152 1.00 0.00 H new ATOM 1076 N LEU A 68 3.532 6.580 -10.257 1.00 0.00 N ATOM 1077 CA LEU A 68 2.099 6.949 -10.061 1.00 0.00 C ATOM 1078 C LEU A 68 1.289 5.670 -9.872 1.00 0.00 C ATOM 1079 O LEU A 68 1.416 4.733 -10.630 1.00 0.00 O ATOM 1080 CB LEU A 68 1.598 7.731 -11.280 1.00 0.00 C ATOM 1081 CG LEU A 68 0.085 7.969 -11.175 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.244 8.703 -9.869 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.370 8.817 -12.365 1.00 0.00 C ATOM 0 H LEU A 68 3.729 6.098 -11.134 1.00 0.00 H new ATOM 0 HA LEU A 68 1.987 7.580 -9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.119 8.686 -11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.824 7.179 -12.193 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.433 7.010 -11.181 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.320 8.867 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.083 8.101 -9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.271 9.664 -9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.444 8.991 -12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.154 9.773 -12.352 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.144 8.292 -13.293 1.00 0.00 H new ATOM 1095 N LEU A 69 0.457 5.624 -8.861 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.365 4.403 -8.604 1.00 0.00 C ATOM 1097 C LEU A 69 -1.836 4.714 -8.865 1.00 0.00 C ATOM 1098 O LEU A 69 -2.412 5.596 -8.257 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.193 3.995 -7.145 1.00 0.00 C ATOM 1100 CG LEU A 69 1.300 3.856 -6.830 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.476 3.491 -5.356 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.919 2.762 -7.716 1.00 0.00 C ATOM 0 H LEU A 69 0.312 6.386 -8.199 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.042 3.596 -9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.646 4.740 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.705 3.052 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 69 1.803 4.802 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.538 3.392 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.044 4.274 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.972 2.546 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.981 2.667 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.420 1.812 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.796 3.030 -8.765 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.442 3.996 -9.778 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.883 4.232 -10.112 1.00 0.00 C ATOM 1116 C ARG A 70 -4.718 2.993 -9.799 1.00 0.00 C ATOM 1117 O ARG A 70 -4.241 1.876 -9.844 1.00 0.00 O ATOM 1118 CB ARG A 70 -4.017 4.554 -11.604 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.422 5.931 -11.887 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.458 6.202 -13.391 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.876 6.225 -13.850 1.00 0.00 N ATOM 1122 CZ ARG A 70 -5.157 6.306 -15.123 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -4.196 6.369 -16.005 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.402 6.325 -15.514 1.00 0.00 N ATOM 0 H ARG A 70 -1.997 3.249 -10.312 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.243 5.067 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.505 3.797 -12.197 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.066 4.533 -11.898 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.984 6.698 -11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.396 5.977 -11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.976 7.154 -13.613 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.903 5.431 -13.925 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.631 6.177 -13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.223 6.355 -15.701 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.419 6.432 -16.998 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.153 6.277 -14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.624 6.388 -16.508 1.00 0.00 H new ATOM 1138 N SER A 71 -5.968 3.204 -9.485 1.00 0.00 N ATOM 1139 CA SER A 71 -6.888 2.074 -9.168 1.00 0.00 C ATOM 1140 C SER A 71 -6.275 1.161 -8.103 1.00 0.00 C ATOM 1141 O SER A 71 -6.139 -0.029 -8.305 1.00 0.00 O ATOM 1142 CB SER A 71 -7.172 1.268 -10.442 1.00 0.00 C ATOM 1143 OG SER A 71 -5.982 1.146 -11.205 1.00 0.00 O ATOM 0 H SER A 71 -6.397 4.128 -9.434 1.00 0.00 H new ATOM 0 HA SER A 71 -7.821 2.482 -8.779 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.552 0.280 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.945 1.761 -11.032 1.00 0.00 H new ATOM 0 HG SER A 71 -5.224 0.987 -10.605 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.920 1.706 -6.963 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.328 0.872 -5.870 1.00 0.00 C ATOM 1151 C VAL A 72 -6.299 0.842 -4.694 1.00 0.00 C ATOM 1152 O VAL A 72 -7.244 1.606 -4.634 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.986 1.464 -5.421 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.896 1.079 -6.425 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.095 2.990 -5.347 1.00 0.00 C ATOM 0 H VAL A 72 -6.016 2.697 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.156 -0.140 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.730 1.072 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.942 1.500 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.815 -0.007 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.154 1.470 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.140 3.408 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.353 3.384 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.869 3.265 -4.631 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.078 -0.056 -3.768 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.984 -0.187 -2.587 1.00 0.00 C ATOM 1167 C VAL A 73 -6.176 -0.065 -1.296 1.00 0.00 C ATOM 1168 O VAL A 73 -5.011 -0.404 -1.238 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.688 -1.549 -2.644 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.695 -2.672 -2.328 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.825 -1.571 -1.622 1.00 0.00 C ATOM 0 H VAL A 73 -5.298 -0.713 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.730 0.607 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.087 -1.703 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.207 -3.633 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.886 -2.658 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.285 -2.524 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.329 -2.537 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.419 -1.411 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.539 -0.781 -1.855 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.796 0.435 -0.261 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.085 0.608 1.041 1.00 0.00 C ATOM 1183 C VAL A 74 -6.340 -0.612 1.926 1.00 0.00 C ATOM 1184 O VAL A 74 -7.460 -1.058 2.074 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.607 1.869 1.729 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.024 1.965 3.140 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.179 3.091 0.915 1.00 0.00 C ATOM 0 H VAL A 74 -7.771 0.733 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.013 0.705 0.870 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.694 1.829 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.398 2.865 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.321 1.089 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.936 2.009 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.547 3.997 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.091 3.127 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.594 3.022 -0.091 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.302 -1.158 2.516 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.459 -2.358 3.397 1.00 0.00 C ATOM 1199 C GLY A 75 -5.266 -1.957 4.861 1.00 0.00 C ATOM 1200 O GLY A 75 -4.538 -1.038 5.175 1.00 0.00 O ATOM 0 H GLY A 75 -4.344 -0.819 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.448 -2.795 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.731 -3.121 3.121 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.915 -2.649 5.757 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.780 -2.327 7.208 1.00 0.00 C ATOM 1206 C GLU A 76 -4.590 -3.094 7.794 1.00 0.00 C ATOM 1207 O GLU A 76 -4.683 -4.265 8.108 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.066 -2.743 7.932 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.595 -4.042 7.319 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.700 -4.615 8.206 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -8.891 -4.092 9.291 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -9.338 -5.565 7.784 1.00 0.00 O ATOM 0 H GLU A 76 -6.537 -3.429 5.546 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.615 -1.257 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.869 -2.883 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.815 -1.956 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.981 -3.853 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.785 -4.764 7.218 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.470 -2.441 7.940 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.264 -3.120 8.500 1.00 0.00 C ATOM 1221 C TYR A 77 -2.147 -2.791 9.993 1.00 0.00 C ATOM 1222 O TYR A 77 -1.691 -1.733 10.380 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.024 -2.630 7.747 1.00 0.00 C ATOM 1224 CG TYR A 77 0.192 -3.401 8.204 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.413 -4.703 7.736 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.101 -2.813 9.090 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.543 -5.416 8.155 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.231 -3.524 9.509 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.451 -4.825 9.042 1.00 0.00 C ATOM 1230 OH TYR A 77 3.567 -5.525 9.454 1.00 0.00 O ATOM 0 H TYR A 77 -3.336 -1.460 7.694 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.350 -4.200 8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.165 -2.759 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.878 -1.564 7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.289 -5.157 7.052 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.930 -1.809 9.451 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.714 -6.420 7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.933 -3.069 10.192 1.00 0.00 H new ATOM 0 HH TYR A 77 4.093 -4.970 10.067 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.558 -3.706 10.830 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.490 -3.489 12.307 1.00 0.00 C ATOM 1242 C ASN A 78 -2.988 -2.086 12.672 1.00 0.00 C ATOM 1243 O ASN A 78 -4.127 -1.739 12.428 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.048 -3.661 12.783 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.657 -5.137 12.695 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -1.510 -6.000 12.635 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.606 -5.467 12.684 1.00 0.00 N ATOM 0 H ASN A 78 -2.944 -4.608 10.550 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.130 -4.223 12.797 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.377 -3.058 12.171 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.947 -3.307 13.809 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.876 -6.449 12.625 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.323 -4.743 12.734 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.147 -1.281 13.274 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.573 0.095 13.674 1.00 0.00 C ATOM 1256 C ASP A 79 -2.210 1.096 12.577 1.00 0.00 C ATOM 1257 O ASP A 79 -2.579 2.253 12.641 1.00 0.00 O ATOM 1258 CB ASP A 79 -1.851 0.482 14.968 1.00 0.00 C ATOM 1259 CG ASP A 79 -0.341 0.300 14.786 1.00 0.00 C ATOM 1260 OD1 ASP A 79 0.057 -0.184 13.739 1.00 0.00 O ATOM 1261 OD2 ASP A 79 0.391 0.644 15.700 1.00 0.00 O ATOM 0 H ASP A 79 -1.182 -1.519 13.506 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.652 0.109 13.826 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.075 1.517 15.226 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.205 -0.136 15.793 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.481 0.663 11.579 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.072 1.587 10.471 1.00 0.00 C ATOM 1268 C ARG A 80 -1.798 1.216 9.181 1.00 0.00 C ATOM 1269 O ARG A 80 -2.218 0.091 8.980 1.00 0.00 O ATOM 1270 CB ARG A 80 0.436 1.485 10.248 1.00 0.00 C ATOM 1271 CG ARG A 80 1.167 2.077 11.454 1.00 0.00 C ATOM 1272 CD ARG A 80 2.676 1.974 11.233 1.00 0.00 C ATOM 1273 NE ARG A 80 3.388 2.514 12.427 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.615 3.797 12.537 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.227 4.618 11.598 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.231 4.259 13.591 1.00 0.00 N ATOM 0 H ARG A 80 -1.149 -0.296 11.482 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.335 2.608 10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.725 0.443 10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.718 2.018 9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.879 3.119 11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.884 1.545 12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.960 0.935 11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.963 2.531 10.341 1.00 0.00 H new ATOM 0 HE ARG A 80 3.700 1.879 13.162 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.744 4.259 10.774 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.407 5.618 11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.534 3.620 14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.410 5.259 13.680 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.948 2.165 8.299 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.643 1.902 7.006 1.00 0.00 C ATOM 1292 C PHE A 81 -1.596 1.597 5.936 1.00 0.00 C ATOM 1293 O PHE A 81 -0.465 2.031 6.023 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.448 3.139 6.608 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.460 3.441 7.686 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.699 2.790 7.684 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.160 4.370 8.689 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.638 3.068 8.684 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.099 4.649 9.690 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.338 3.997 9.687 1.00 0.00 C ATOM 0 H PHE A 81 -1.615 3.122 8.420 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.318 1.052 7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.783 3.991 6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.952 2.969 5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.931 2.073 6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.204 4.872 8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.594 2.566 8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.868 5.366 10.463 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.062 4.211 10.459 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.957 0.851 4.927 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.978 0.511 3.850 1.00 0.00 C ATOM 1312 C GLN A 82 -1.703 0.470 2.507 1.00 0.00 C ATOM 1313 O GLN A 82 -2.908 0.319 2.447 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.350 -0.857 4.133 1.00 0.00 C ATOM 1315 CG GLN A 82 0.619 -0.738 5.311 1.00 0.00 C ATOM 1316 CD GLN A 82 1.218 -2.110 5.637 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.032 -2.230 6.529 1.00 0.00 O ATOM 1318 NE2 GLN A 82 0.850 -3.156 4.947 1.00 0.00 N ATOM 0 H GLN A 82 -2.891 0.460 4.800 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.193 1.266 3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.128 -1.586 4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.177 -1.217 3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.414 -0.033 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.098 -0.343 6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.166 -3.057 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.247 -4.072 5.158 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.976 0.599 1.426 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.614 0.566 0.071 1.00 0.00 C ATOM 1329 C VAL A 83 -1.332 -0.785 -0.584 1.00 0.00 C ATOM 1330 O VAL A 83 -0.197 -1.209 -0.690 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.025 1.683 -0.802 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.963 1.963 -1.979 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.864 2.954 0.032 1.00 0.00 C ATOM 0 H VAL A 83 0.036 0.726 1.422 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.690 0.712 0.172 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.052 1.370 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.544 2.756 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.077 1.059 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.937 2.274 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.446 3.746 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.837 3.266 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.194 2.757 0.869 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.359 -1.469 -1.018 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.164 -2.803 -1.664 1.00 0.00 C ATOM 1345 C GLN A 84 -2.308 -2.653 -3.175 1.00 0.00 C ATOM 1346 O GLN A 84 -3.290 -2.134 -3.668 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.230 -3.773 -1.151 1.00 0.00 C ATOM 1348 CG GLN A 84 -3.155 -3.852 0.373 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.781 -4.370 0.793 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.355 -5.422 0.361 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.062 -3.663 1.619 1.00 0.00 N ATOM 0 H GLN A 84 -3.329 -1.160 -0.953 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.172 -3.187 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.220 -3.439 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.077 -4.761 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.332 -2.868 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.935 -4.513 0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.422 -2.780 1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.140 -3.993 1.904 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.331 -3.108 -3.914 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.386 -3.007 -5.402 1.00 0.00 C ATOM 1362 C VAL A 85 -1.745 -4.374 -5.977 1.00 0.00 C ATOM 1363 O VAL A 85 -1.177 -5.384 -5.601 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.019 -2.575 -5.931 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.128 -2.281 -7.426 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.433 -1.314 -5.192 1.00 0.00 C ATOM 0 H VAL A 85 -0.489 -3.550 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.136 -2.273 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 85 0.708 -3.371 -5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.845 -1.972 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.456 -3.179 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.851 -1.482 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.408 -1.003 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.291 -0.516 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.504 -1.524 -4.125 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.692 -4.416 -6.884 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.117 -5.714 -7.494 1.00 0.00 C ATOM 1378 C ASN A 86 -3.060 -5.616 -9.016 1.00 0.00 C ATOM 1379 O ASN A 86 -2.520 -4.682 -9.576 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.557 -6.024 -7.078 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.610 -6.320 -5.580 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.756 -7.004 -5.051 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.587 -5.829 -4.866 1.00 0.00 N ATOM 0 H ASN A 86 -3.193 -3.598 -7.230 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.447 -6.503 -7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.204 -5.179 -7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.932 -6.879 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.633 -6.020 -3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.304 -5.255 -5.309 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.619 -6.583 -9.682 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.614 -6.582 -11.170 1.00 0.00 C ATOM 1392 C LYS A 87 -4.438 -5.406 -11.700 1.00 0.00 C ATOM 1393 O LYS A 87 -4.060 -4.753 -12.651 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.223 -7.900 -11.662 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.144 -8.004 -13.192 1.00 0.00 C ATOM 1396 CD LYS A 87 -2.687 -8.185 -13.642 1.00 0.00 C ATOM 1397 CE LYS A 87 -2.659 -8.718 -15.072 1.00 0.00 C ATOM 1398 NZ LYS A 87 -1.245 -8.828 -15.526 1.00 0.00 N ATOM 0 H LYS A 87 -4.085 -7.384 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.591 -6.482 -11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.696 -8.740 -11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.263 -7.966 -11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.745 -8.845 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.563 -7.106 -13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.157 -7.234 -13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.172 -8.876 -12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.145 -9.692 -15.119 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.215 -8.052 -15.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.220 -9.191 -16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.796 -7.890 -15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.729 -9.480 -14.901 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.566 -5.143 -11.102 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.422 -4.021 -11.584 1.00 0.00 C ATOM 1414 C ASN A 88 -5.686 -2.693 -11.391 1.00 0.00 C ATOM 1415 O ASN A 88 -6.095 -1.668 -11.902 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.729 -4.006 -10.778 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.815 -3.259 -11.555 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.541 -2.272 -12.210 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.045 -3.688 -11.507 1.00 0.00 N ATOM 0 H ASN A 88 -5.933 -5.656 -10.300 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.643 -4.157 -12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.053 -5.027 -10.575 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.565 -3.526 -9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.777 -3.196 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.275 -4.516 -10.958 1.00 0.00 H new ATOM 1426 N SER A 89 -4.612 -2.702 -10.654 1.00 0.00 N ATOM 1427 CA SER A 89 -3.851 -1.439 -10.421 1.00 0.00 C ATOM 1428 C SER A 89 -2.894 -1.186 -11.585 1.00 0.00 C ATOM 1429 O SER A 89 -2.610 -2.066 -12.373 1.00 0.00 O ATOM 1430 CB SER A 89 -3.060 -1.548 -9.121 1.00 0.00 C ATOM 1431 OG SER A 89 -2.379 -0.324 -8.889 1.00 0.00 O ATOM 0 H SER A 89 -4.226 -3.530 -10.201 1.00 0.00 H new ATOM 0 HA SER A 89 -4.553 -0.608 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.730 -1.769 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.347 -2.370 -9.182 1.00 0.00 H new ATOM 0 HG SER A 89 -2.927 0.421 -9.213 1.00 0.00 H new ATOM 1437 N SER A 90 -2.393 0.019 -11.700 1.00 0.00 N ATOM 1438 CA SER A 90 -1.449 0.353 -12.813 1.00 0.00 C ATOM 1439 C SER A 90 -0.294 1.181 -12.255 1.00 0.00 C ATOM 1440 O SER A 90 -0.421 1.818 -11.227 1.00 0.00 O ATOM 1441 CB SER A 90 -2.187 1.161 -13.875 1.00 0.00 C ATOM 1442 OG SER A 90 -3.082 0.302 -14.563 1.00 0.00 O ATOM 0 H SER A 90 -2.599 0.791 -11.066 1.00 0.00 H new ATOM 0 HA SER A 90 -1.062 -0.564 -13.258 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.733 1.983 -13.412 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.477 1.604 -14.573 1.00 0.00 H new ATOM 0 HG SER A 90 -3.564 0.812 -15.248 1.00 0.00 H new ATOM 1448 N ILE A 91 0.832 1.194 -12.930 1.00 0.00 N ATOM 1449 CA ILE A 91 1.999 1.991 -12.449 1.00 0.00 C ATOM 1450 C ILE A 91 2.607 2.754 -13.626 1.00 0.00 C ATOM 1451 O ILE A 91 2.910 2.180 -14.655 1.00 0.00 O ATOM 1452 CB ILE A 91 3.051 1.046 -11.877 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.485 0.340 -10.644 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.294 1.848 -11.485 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.416 -0.800 -10.229 1.00 0.00 C ATOM 0 H ILE A 91 0.990 0.683 -13.798 1.00 0.00 H new ATOM 0 HA ILE A 91 1.672 2.692 -11.681 1.00 0.00 H new ATOM 0 HB ILE A 91 3.321 0.302 -12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.376 1.050 -9.824 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.491 -0.050 -10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.047 1.175 -11.076 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.696 2.350 -12.365 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.026 2.591 -10.734 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.009 -1.300 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.502 -1.516 -11.047 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.401 -0.398 -9.994 1.00 0.00 H new ATOM 1467 N GLU A 92 2.792 4.045 -13.484 1.00 0.00 N ATOM 1468 CA GLU A 92 3.385 4.861 -14.588 1.00 0.00 C ATOM 1469 C GLU A 92 4.534 5.704 -14.031 1.00 0.00 C ATOM 1470 O GLU A 92 4.416 6.335 -12.999 1.00 0.00 O ATOM 1471 CB GLU A 92 2.313 5.784 -15.177 1.00 0.00 C ATOM 1472 CG GLU A 92 2.899 6.558 -16.358 1.00 0.00 C ATOM 1473 CD GLU A 92 1.816 7.439 -16.982 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.656 7.227 -16.671 1.00 0.00 O ATOM 1475 OE2 GLU A 92 2.165 8.309 -17.764 1.00 0.00 O ATOM 0 H GLU A 92 2.555 4.571 -12.643 1.00 0.00 H new ATOM 0 HA GLU A 92 3.761 4.200 -15.369 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.453 5.199 -15.503 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.956 6.477 -14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.735 7.173 -16.024 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.291 5.864 -17.102 1.00 0.00 H new ATOM 1482 N LYS A 93 5.647 5.708 -14.710 1.00 0.00 N ATOM 1483 CA LYS A 93 6.819 6.496 -14.236 1.00 0.00 C ATOM 1484 C LYS A 93 6.629 7.963 -14.620 1.00 0.00 C ATOM 1485 O LYS A 93 6.253 8.278 -15.732 1.00 0.00 O ATOM 1486 CB LYS A 93 8.089 5.946 -14.886 1.00 0.00 C ATOM 1487 CG LYS A 93 9.313 6.690 -14.349 1.00 0.00 C ATOM 1488 CD LYS A 93 10.580 6.049 -14.917 1.00 0.00 C ATOM 1489 CE LYS A 93 11.813 6.764 -14.362 1.00 0.00 C ATOM 1490 NZ LYS A 93 11.859 8.157 -14.887 1.00 0.00 N ATOM 0 H LYS A 93 5.796 5.195 -15.579 1.00 0.00 H new ATOM 0 HA LYS A 93 6.907 6.418 -13.152 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.181 4.880 -14.679 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.031 6.057 -15.969 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.266 7.742 -14.630 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.328 6.651 -13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.613 4.991 -14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.573 6.108 -16.005 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.780 6.776 -13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.717 6.227 -14.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.482 8.734 -14.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.226 8.149 -15.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.901 8.562 -14.882 1.00 0.00 H new ATOM 1504 N LEU A 94 6.891 8.865 -13.705 1.00 0.00 N ATOM 1505 CA LEU A 94 6.731 10.327 -14.000 1.00 0.00 C ATOM 1506 C LEU A 94 8.106 10.976 -14.123 1.00 0.00 C ATOM 1507 O LEU A 94 8.229 12.154 -14.400 1.00 0.00 O ATOM 1508 CB LEU A 94 5.933 10.978 -12.860 1.00 0.00 C ATOM 1509 CG LEU A 94 4.423 10.839 -13.131 1.00 0.00 C ATOM 1510 CD1 LEU A 94 3.994 11.754 -14.304 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.086 9.373 -13.466 1.00 0.00 C ATOM 0 H LEU A 94 7.211 8.651 -12.760 1.00 0.00 H new ATOM 0 HA LEU A 94 6.196 10.464 -14.940 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.186 10.505 -11.911 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.200 12.031 -12.773 1.00 0.00 H new ATOM 0 HG LEU A 94 3.880 11.142 -12.236 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.924 11.642 -14.480 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.214 12.792 -14.055 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.541 11.473 -15.204 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.017 9.280 -13.657 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.641 9.065 -14.352 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.361 8.735 -12.626 1.00 0.00 H new ATOM 1523 N SER A 95 9.141 10.218 -13.930 1.00 0.00 N ATOM 1524 CA SER A 95 10.507 10.788 -14.047 1.00 0.00 C ATOM 1525 C SER A 95 10.592 12.102 -13.273 1.00 0.00 C ATOM 1526 O SER A 95 11.499 12.884 -13.475 1.00 0.00 O ATOM 1527 CB SER A 95 10.824 11.047 -15.520 1.00 0.00 C ATOM 1528 OG SER A 95 11.997 11.844 -15.612 1.00 0.00 O ATOM 0 H SER A 95 9.102 9.226 -13.696 1.00 0.00 H new ATOM 0 HA SER A 95 11.226 10.081 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.969 10.103 -16.045 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.987 11.553 -16.001 1.00 0.00 H new ATOM 0 HG SER A 95 12.343 12.022 -14.713 1.00 0.00 H new ATOM 1534 N GLU A 96 9.641 12.364 -12.403 1.00 0.00 N ATOM 1535 CA GLU A 96 9.653 13.632 -11.613 1.00 0.00 C ATOM 1536 C GLU A 96 9.841 13.291 -10.124 1.00 0.00 C ATOM 1537 O GLU A 96 8.885 13.032 -9.421 1.00 0.00 O ATOM 1538 CB GLU A 96 8.315 14.352 -11.798 1.00 0.00 C ATOM 1539 CG GLU A 96 8.416 15.762 -11.208 1.00 0.00 C ATOM 1540 CD GLU A 96 9.261 16.644 -12.130 1.00 0.00 C ATOM 1541 OE1 GLU A 96 8.691 17.248 -13.024 1.00 0.00 O ATOM 1542 OE2 GLU A 96 10.463 16.699 -11.929 1.00 0.00 O ATOM 0 H GLU A 96 8.853 11.746 -12.208 1.00 0.00 H new ATOM 0 HA GLU A 96 10.466 14.274 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.060 14.405 -12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.518 13.795 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.421 16.190 -11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.865 15.721 -10.216 1.00 0.00 H new ATOM 1549 N PRO A 97 11.065 13.290 -9.647 1.00 0.00 N ATOM 1550 CA PRO A 97 11.374 12.976 -8.221 1.00 0.00 C ATOM 1551 C PRO A 97 10.576 13.849 -7.244 1.00 0.00 C ATOM 1552 O PRO A 97 10.266 14.990 -7.524 1.00 0.00 O ATOM 1553 CB PRO A 97 12.882 13.255 -8.095 1.00 0.00 C ATOM 1554 CG PRO A 97 13.419 13.143 -9.487 1.00 0.00 C ATOM 1555 CD PRO A 97 12.286 13.576 -10.416 1.00 0.00 C ATOM 0 HA PRO A 97 11.104 11.951 -7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.066 14.246 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.361 12.537 -7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.295 13.778 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.731 12.121 -9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.360 14.634 -10.669 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.306 13.022 -11.354 1.00 0.00 H new ATOM 1563 N ILE A 98 10.236 13.307 -6.102 1.00 0.00 N ATOM 1564 CA ILE A 98 9.447 14.077 -5.090 1.00 0.00 C ATOM 1565 C ILE A 98 10.368 14.486 -3.941 1.00 0.00 C ATOM 1566 O ILE A 98 11.217 13.732 -3.512 1.00 0.00 O ATOM 1567 CB ILE A 98 8.312 13.202 -4.563 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.546 12.604 -5.752 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.366 14.056 -3.716 1.00 0.00 C ATOM 1570 CD1 ILE A 98 7.090 13.714 -6.711 1.00 0.00 C ATOM 0 H ILE A 98 10.473 12.355 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 98 9.025 14.971 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 98 8.717 12.398 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.182 11.895 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.680 12.048 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.554 13.434 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.915 14.485 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.954 14.858 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.549 13.272 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.436 14.407 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.961 14.252 -7.086 1.00 0.00 H new ATOM 1582 N GLU A 99 10.212 15.683 -3.441 1.00 0.00 N ATOM 1583 CA GLU A 99 11.082 16.151 -2.326 1.00 0.00 C ATOM 1584 C GLU A 99 10.393 15.874 -0.991 1.00 0.00 C ATOM 1585 O GLU A 99 9.299 16.333 -0.731 1.00 0.00 O ATOM 1586 CB GLU A 99 11.325 17.655 -2.480 1.00 0.00 C ATOM 1587 CG GLU A 99 12.256 18.146 -1.369 1.00 0.00 C ATOM 1588 CD GLU A 99 12.557 19.633 -1.576 1.00 0.00 C ATOM 1589 OE1 GLU A 99 12.300 20.124 -2.662 1.00 0.00 O ATOM 1590 OE2 GLU A 99 13.039 20.256 -0.643 1.00 0.00 O ATOM 0 H GLU A 99 9.517 16.358 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 99 12.035 15.622 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.766 17.864 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.377 18.192 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.792 17.990 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.183 17.572 -1.376 1.00 0.00 H new ATOM 1597 N VAL A 100 11.043 15.131 -0.137 1.00 0.00 N ATOM 1598 CA VAL A 100 10.466 14.813 1.199 1.00 0.00 C ATOM 1599 C VAL A 100 11.141 15.715 2.235 1.00 0.00 C ATOM 1600 O VAL A 100 10.781 15.733 3.395 1.00 0.00 O ATOM 1601 CB VAL A 100 10.749 13.342 1.529 1.00 0.00 C ATOM 1602 CG1 VAL A 100 10.069 12.446 0.490 1.00 0.00 C ATOM 1603 CG2 VAL A 100 12.260 13.093 1.495 1.00 0.00 C ATOM 0 H VAL A 100 11.962 14.725 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 100 9.389 14.979 1.204 1.00 0.00 H new ATOM 0 HB VAL A 100 10.361 13.113 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.270 11.401 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.993 12.621 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.459 12.677 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 100 12.462 12.048 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.644 13.323 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.751 13.731 2.230 1.00 0.00 H new ATOM 1613 N GLY A 101 12.121 16.470 1.810 1.00 0.00 N ATOM 1614 CA GLY A 101 12.834 17.385 2.747 1.00 0.00 C ATOM 1615 C GLY A 101 14.237 17.678 2.205 1.00 0.00 C ATOM 1616 O GLY A 101 14.428 18.572 1.406 1.00 0.00 O ATOM 0 H GLY A 101 12.459 16.491 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.275 18.314 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.902 16.930 3.735 1.00 0.00 H new ATOM 1620 N LEU A 102 15.218 16.928 2.639 1.00 0.00 N ATOM 1621 CA LEU A 102 16.614 17.153 2.157 1.00 0.00 C ATOM 1622 C LEU A 102 17.016 18.602 2.431 1.00 0.00 C ATOM 1623 O LEU A 102 18.080 19.049 2.051 1.00 0.00 O ATOM 1624 CB LEU A 102 16.689 16.854 0.659 1.00 0.00 C ATOM 1625 CG LEU A 102 16.175 15.431 0.404 1.00 0.00 C ATOM 1626 CD1 LEU A 102 16.185 15.147 -1.100 1.00 0.00 C ATOM 1627 CD2 LEU A 102 17.065 14.407 1.134 1.00 0.00 C ATOM 0 H LEU A 102 15.111 16.166 3.309 1.00 0.00 H new ATOM 0 HA LEU A 102 17.300 16.490 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 102 16.091 17.575 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 102 17.716 16.951 0.307 1.00 0.00 H new ATOM 0 HG LEU A 102 15.157 15.345 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.820 14.136 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.540 15.863 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 102 17.202 15.239 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.691 13.401 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 102 18.088 14.488 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 102 17.046 14.607 2.205 1.00 0.00 H new ATOM 1639 N GLU A 103 16.169 19.329 3.105 1.00 0.00 N ATOM 1640 CA GLU A 103 16.477 20.748 3.440 1.00 0.00 C ATOM 1641 C GLU A 103 17.065 21.475 2.230 1.00 0.00 C ATOM 1642 O GLU A 103 17.074 20.971 1.123 1.00 0.00 O ATOM 1643 CB GLU A 103 17.488 20.788 4.586 1.00 0.00 C ATOM 1644 CG GLU A 103 16.836 20.248 5.860 1.00 0.00 C ATOM 1645 CD GLU A 103 17.871 20.202 6.984 1.00 0.00 C ATOM 1646 OE1 GLU A 103 19.008 20.568 6.732 1.00 0.00 O ATOM 1647 OE2 GLU A 103 17.510 19.804 8.079 1.00 0.00 O ATOM 0 H GLU A 103 15.266 18.996 3.442 1.00 0.00 H new ATOM 0 HA GLU A 103 15.552 21.245 3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 103 18.365 20.192 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 103 17.832 21.810 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.998 20.882 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 103 16.434 19.251 5.681 1.00 0.00 H new ATOM 1654 N HIS A 104 17.557 22.665 2.446 1.00 0.00 N ATOM 1655 CA HIS A 104 18.157 23.457 1.335 1.00 0.00 C ATOM 1656 C HIS A 104 19.200 24.413 1.918 1.00 0.00 C ATOM 1657 O HIS A 104 18.926 25.159 2.840 1.00 0.00 O ATOM 1658 CB HIS A 104 17.060 24.257 0.628 1.00 0.00 C ATOM 1659 CG HIS A 104 16.262 25.023 1.646 1.00 0.00 C ATOM 1660 ND1 HIS A 104 16.572 26.326 1.998 1.00 0.00 N ATOM 1661 CD2 HIS A 104 15.163 24.683 2.395 1.00 0.00 C ATOM 1662 CE1 HIS A 104 15.678 26.721 2.922 1.00 0.00 C ATOM 1663 NE2 HIS A 104 14.796 25.758 3.201 1.00 0.00 N ATOM 0 H HIS A 104 17.569 23.127 3.355 1.00 0.00 H new ATOM 0 HA HIS A 104 18.631 22.790 0.615 1.00 0.00 H new ATOM 0 HB2 HIS A 104 17.503 24.943 -0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.408 23.585 0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.660 23.728 2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.674 27.698 3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.020 25.801 3.862 1.00 0.00 H new ATOM 1671 N HIS A 105 20.394 24.394 1.395 1.00 0.00 N ATOM 1672 CA HIS A 105 21.462 25.295 1.919 1.00 0.00 C ATOM 1673 C HIS A 105 22.485 25.547 0.810 1.00 0.00 C ATOM 1674 O HIS A 105 23.637 25.837 1.069 1.00 0.00 O ATOM 1675 CB HIS A 105 22.155 24.620 3.108 1.00 0.00 C ATOM 1676 CG HIS A 105 23.092 25.595 3.767 1.00 0.00 C ATOM 1677 ND1 HIS A 105 22.635 26.679 4.501 1.00 0.00 N ATOM 1678 CD2 HIS A 105 24.463 25.661 3.815 1.00 0.00 C ATOM 1679 CE1 HIS A 105 23.713 27.345 4.954 1.00 0.00 C ATOM 1680 NE2 HIS A 105 24.852 26.767 4.564 1.00 0.00 N ATOM 0 H HIS A 105 20.679 23.791 0.623 1.00 0.00 H new ATOM 0 HA HIS A 105 21.026 26.240 2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 105 21.412 24.273 3.826 1.00 0.00 H new ATOM 0 HB3 HIS A 105 22.706 23.742 2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 105 25.137 24.961 3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.663 28.238 5.559 1.00 0.00 H new ATOM 0 HE2 HIS A 105 25.803 27.071 4.771 1.00 0.00 H new ATOM 1688 N HIS A 106 22.073 25.424 -0.425 1.00 0.00 N ATOM 1689 CA HIS A 106 23.019 25.640 -1.559 1.00 0.00 C ATOM 1690 C HIS A 106 24.317 24.874 -1.288 1.00 0.00 C ATOM 1691 O HIS A 106 25.319 25.441 -0.898 1.00 0.00 O ATOM 1692 CB HIS A 106 23.316 27.132 -1.708 1.00 0.00 C ATOM 1693 CG HIS A 106 24.167 27.349 -2.929 1.00 0.00 C ATOM 1694 ND1 HIS A 106 25.549 27.407 -2.865 1.00 0.00 N ATOM 1695 CD2 HIS A 106 23.845 27.519 -4.253 1.00 0.00 C ATOM 1696 CE1 HIS A 106 26.005 27.604 -4.115 1.00 0.00 C ATOM 1697 NE2 HIS A 106 25.009 27.679 -5.000 1.00 0.00 N ATOM 0 H HIS A 106 21.120 25.183 -0.697 1.00 0.00 H new ATOM 0 HA HIS A 106 22.570 25.275 -2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 106 22.385 27.693 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 106 23.830 27.503 -0.821 1.00 0.00 H new ATOM 0 HD1 HIS A 106 26.118 27.317 -2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 106 22.842 27.527 -4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 106 27.051 27.691 -4.371 1.00 0.00 H new ATOM 1705 N HIS A 107 24.294 23.583 -1.486 1.00 0.00 N ATOM 1706 CA HIS A 107 25.510 22.756 -1.237 1.00 0.00 C ATOM 1707 C HIS A 107 26.489 22.898 -2.405 1.00 0.00 C ATOM 1708 O HIS A 107 26.100 22.922 -3.555 1.00 0.00 O ATOM 1709 CB HIS A 107 25.095 21.290 -1.106 1.00 0.00 C ATOM 1710 CG HIS A 107 24.170 21.131 0.069 1.00 0.00 C ATOM 1711 ND1 HIS A 107 24.626 21.156 1.377 1.00 0.00 N ATOM 1712 CD2 HIS A 107 22.813 20.944 0.147 1.00 0.00 C ATOM 1713 CE1 HIS A 107 23.559 20.988 2.181 1.00 0.00 C ATOM 1714 NE2 HIS A 107 22.428 20.853 1.481 1.00 0.00 N ATOM 0 H HIS A 107 23.479 23.063 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 107 25.995 23.094 -0.321 1.00 0.00 H new ATOM 0 HB2 HIS A 107 24.600 20.959 -2.019 1.00 0.00 H new ATOM 0 HB3 HIS A 107 25.976 20.662 -0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 107 22.145 20.878 -0.699 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.611 20.965 3.260 1.00 0.00 H new ATOM 0 HE2 HIS A 107 21.486 20.713 1.846 1.00 0.00 H new ATOM 1722 N HIS A 108 27.760 22.985 -2.117 1.00 0.00 N ATOM 1723 CA HIS A 108 28.766 23.117 -3.209 1.00 0.00 C ATOM 1724 C HIS A 108 28.917 21.778 -3.935 1.00 0.00 C ATOM 1725 O HIS A 108 28.937 20.726 -3.325 1.00 0.00 O ATOM 1726 CB HIS A 108 30.113 23.531 -2.612 1.00 0.00 C ATOM 1727 CG HIS A 108 30.605 22.449 -1.691 1.00 0.00 C ATOM 1728 ND1 HIS A 108 30.234 22.389 -0.357 1.00 0.00 N ATOM 1729 CD2 HIS A 108 31.437 21.377 -1.898 1.00 0.00 C ATOM 1730 CE1 HIS A 108 30.835 21.313 0.182 1.00 0.00 C ATOM 1731 NE2 HIS A 108 31.580 20.661 -0.713 1.00 0.00 N ATOM 0 H HIS A 108 28.145 22.970 -1.172 1.00 0.00 H new ATOM 0 HA HIS A 108 28.434 23.875 -3.918 1.00 0.00 H new ATOM 0 HB2 HIS A 108 30.838 23.704 -3.407 1.00 0.00 H new ATOM 0 HB3 HIS A 108 30.009 24.469 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 108 31.909 21.127 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 108 30.728 21.013 1.214 1.00 0.00 H new ATOM 0 HE2 HIS A 108 32.135 19.819 -0.561 1.00 0.00 H new ATOM 1739 N HIS A 109 29.021 21.813 -5.235 1.00 0.00 N ATOM 1740 CA HIS A 109 29.168 20.552 -6.016 1.00 0.00 C ATOM 1741 C HIS A 109 30.611 20.048 -5.915 1.00 0.00 C ATOM 1742 O HIS A 109 30.930 19.086 -6.595 1.00 0.00 O ATOM 1743 CB HIS A 109 28.828 20.829 -7.481 1.00 0.00 C ATOM 1744 CG HIS A 109 29.814 21.815 -8.046 1.00 0.00 C ATOM 1745 ND1 HIS A 109 29.662 23.184 -7.889 1.00 0.00 N ATOM 1746 CD2 HIS A 109 30.972 21.647 -8.766 1.00 0.00 C ATOM 1747 CE1 HIS A 109 30.701 23.781 -8.502 1.00 0.00 C ATOM 1748 NE2 HIS A 109 31.529 22.889 -9.053 1.00 0.00 N ATOM 1749 OXT HIS A 109 31.371 20.631 -5.159 1.00 0.00 O ATOM 0 H HIS A 109 29.010 22.667 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 109 28.494 19.794 -5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 109 28.856 19.902 -8.054 1.00 0.00 H new ATOM 0 HB3 HIS A 109 27.815 21.224 -7.562 1.00 0.00 H new ATOM 0 HD2 HIS A 109 31.387 20.695 -9.064 1.00 0.00 H new ATOM 0 HE1 HIS A 109 30.847 24.850 -8.543 1.00 0.00 H new ATOM 0 HE2 HIS A 109 32.386 23.078 -9.573 1.00 0.00 H new TER 1757 HIS A 109