USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : +bothHN:sc= -1.3! C(o=-2.1!,f=-10!) USER MOD Set 1.2: A 129 GLN : amide:sc= -0.794 K(o=-2.1,f=-6.2!) USER MOD Set 2.1: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 49 THR OG1 : rot -122:sc= 0.0678 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.659! (180deg=-5.16!) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= 1.1 (180deg=0.185) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.65) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.458 K(o=-0.46,f=-1) USER MOD Single : A 28 TYR OH : rot 150:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0822) USER MOD Single : A 45 HIS : no HD1:sc= -0.597 K(o=-0.6,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -1.65 USER MOD Single : A 67 HIS : no HD1:sc= -0.995 K(o=-1,f=-2.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.088) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 102 TYR OH : rot 110:sc= 0.22 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 127 GLN : amide:sc= -3.63! K(o=-3.6!,f=-4.7) USER MOD Single : A 132 LYS NZ :NH3+ -152:sc= -0.891 (180deg=-2.9!) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.597 -5.981 9.358 1.00 0.00 N ATOM 2 CA MET A 1 11.353 -5.647 8.163 1.00 0.00 C ATOM 3 C MET A 1 10.437 -5.083 7.075 1.00 0.00 C ATOM 4 O MET A 1 9.233 -5.336 7.079 1.00 0.00 O ATOM 5 CB MET A 1 12.059 -6.899 7.638 1.00 0.00 C ATOM 6 CG MET A 1 13.502 -6.588 7.237 1.00 0.00 C ATOM 7 SD MET A 1 14.556 -7.975 7.626 1.00 0.00 S ATOM 8 CE MET A 1 15.132 -7.483 9.242 1.00 0.00 C ATOM 0 H1 MET A 1 11.077 -5.589 10.193 1.00 0.00 H new ATOM 0 H2 MET A 1 9.641 -5.579 9.288 1.00 0.00 H new ATOM 0 H3 MET A 1 10.532 -7.015 9.450 1.00 0.00 H new ATOM 0 HA MET A 1 12.089 -4.886 8.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.050 -7.674 8.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.516 -7.294 6.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.553 -6.370 6.170 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.850 -5.698 7.761 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.807 -8.243 9.635 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.661 -6.533 9.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.281 -7.372 9.913 1.00 0.00 H new ATOM 18 N VAL A 2 11.042 -4.329 6.169 1.00 0.00 N ATOM 19 CA VAL A 2 10.296 -3.727 5.077 1.00 0.00 C ATOM 20 C VAL A 2 10.764 -4.330 3.751 1.00 0.00 C ATOM 21 O VAL A 2 11.954 -4.578 3.564 1.00 0.00 O ATOM 22 CB VAL A 2 10.438 -2.204 5.124 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.470 -1.533 4.147 1.00 0.00 C ATOM 24 CG2 VAL A 2 10.235 -1.678 6.546 1.00 0.00 C ATOM 0 H VAL A 2 12.041 -4.121 6.169 1.00 0.00 H new ATOM 0 HA VAL A 2 9.233 -3.945 5.175 1.00 0.00 H new ATOM 0 HB VAL A 2 11.453 -1.952 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.591 -0.451 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.682 -1.873 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.446 -1.797 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.341 -0.593 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.238 -1.947 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.981 -2.119 7.207 1.00 0.00 H new ATOM 34 N PRO A 3 9.778 -4.555 2.842 1.00 0.00 N ATOM 35 CA PRO A 3 10.077 -5.125 1.539 1.00 0.00 C ATOM 36 C PRO A 3 10.731 -4.088 0.624 1.00 0.00 C ATOM 37 O PRO A 3 10.809 -2.910 0.970 1.00 0.00 O ATOM 38 CB PRO A 3 8.741 -5.623 1.012 1.00 0.00 C ATOM 39 CG PRO A 3 7.677 -4.903 1.825 1.00 0.00 C ATOM 40 CD PRO A 3 8.358 -4.274 3.030 1.00 0.00 C ATOM 0 HA PRO A 3 10.799 -5.940 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.635 -5.405 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.655 -6.704 1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.187 -4.139 1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.903 -5.601 2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.169 -3.201 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.989 -4.703 3.962 1.00 0.00 H new ATOM 48 N PRO A 4 11.198 -4.576 -0.556 1.00 0.00 N ATOM 49 CA PRO A 4 11.843 -3.705 -1.524 1.00 0.00 C ATOM 50 C PRO A 4 10.815 -2.835 -2.250 1.00 0.00 C ATOM 51 O PRO A 4 10.884 -1.608 -2.194 1.00 0.00 O ATOM 52 CB PRO A 4 12.594 -4.641 -2.457 1.00 0.00 C ATOM 53 CG PRO A 4 11.969 -6.013 -2.262 1.00 0.00 C ATOM 54 CD PRO A 4 11.123 -5.965 -1.000 1.00 0.00 C ATOM 0 HA PRO A 4 12.527 -2.994 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.504 -4.315 -3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.658 -4.659 -2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.356 -6.279 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.743 -6.776 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.094 -6.261 -1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.507 -6.645 -0.240 1.00 0.00 H new ATOM 62 N LYS A 5 9.884 -3.505 -2.914 1.00 0.00 N ATOM 63 CA LYS A 5 8.843 -2.808 -3.650 1.00 0.00 C ATOM 64 C LYS A 5 8.415 -1.565 -2.867 1.00 0.00 C ATOM 65 O LYS A 5 8.047 -0.551 -3.458 1.00 0.00 O ATOM 66 CB LYS A 5 7.688 -3.759 -3.974 1.00 0.00 C ATOM 67 CG LYS A 5 7.629 -4.059 -5.473 1.00 0.00 C ATOM 68 CD LYS A 5 7.011 -2.889 -6.242 1.00 0.00 C ATOM 69 CE LYS A 5 5.495 -3.051 -6.361 1.00 0.00 C ATOM 70 NZ LYS A 5 4.916 -1.942 -7.152 1.00 0.00 N ATOM 0 H LYS A 5 9.829 -4.523 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 5 9.222 -2.464 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.811 -4.688 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.746 -3.316 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.633 -4.255 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.043 -4.962 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.241 -1.953 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.453 -2.829 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.261 -4.004 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.046 -3.070 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.086 -2.286 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.629 -1.173 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.626 -1.587 -7.824 1.00 0.00 H new ATOM 84 N LEU A 6 8.478 -1.685 -1.549 1.00 0.00 N ATOM 85 CA LEU A 6 8.102 -0.583 -0.680 1.00 0.00 C ATOM 86 C LEU A 6 9.318 0.315 -0.446 1.00 0.00 C ATOM 87 O LEU A 6 9.319 1.480 -0.840 1.00 0.00 O ATOM 88 CB LEU A 6 7.470 -1.111 0.610 1.00 0.00 C ATOM 89 CG LEU A 6 6.535 -0.146 1.343 1.00 0.00 C ATOM 90 CD1 LEU A 6 7.156 0.324 2.660 1.00 0.00 C ATOM 91 CD2 LEU A 6 6.143 1.027 0.443 1.00 0.00 C ATOM 0 H LEU A 6 8.783 -2.528 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 6 7.338 0.033 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.912 -2.017 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.270 -1.399 1.292 1.00 0.00 H new ATOM 0 HG LEU A 6 5.618 -0.681 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.472 1.009 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.343 -0.537 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.097 0.836 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.478 1.697 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.039 1.570 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.632 0.651 -0.443 1.00 0.00 H new ATOM 103 N LYS A 7 10.325 -0.261 0.195 1.00 0.00 N ATOM 104 CA LYS A 7 11.544 0.472 0.486 1.00 0.00 C ATOM 105 C LYS A 7 11.955 1.280 -0.747 1.00 0.00 C ATOM 106 O LYS A 7 12.566 2.340 -0.624 1.00 0.00 O ATOM 107 CB LYS A 7 12.633 -0.477 0.991 1.00 0.00 C ATOM 108 CG LYS A 7 13.802 0.302 1.597 1.00 0.00 C ATOM 109 CD LYS A 7 13.985 -0.046 3.076 1.00 0.00 C ATOM 110 CE LYS A 7 15.456 0.049 3.484 1.00 0.00 C ATOM 111 NZ LYS A 7 15.698 -0.706 4.733 1.00 0.00 N ATOM 0 H LYS A 7 10.321 -1.228 0.521 1.00 0.00 H new ATOM 0 HA LYS A 7 11.376 1.185 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.215 -1.151 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.991 -1.096 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.717 0.075 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.624 1.372 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.390 0.631 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.616 -1.054 3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.087 -0.344 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.734 1.094 3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.702 -0.631 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.110 -0.313 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.452 -1.706 4.587 1.00 0.00 H new ATOM 125 N GLN A 8 11.604 0.747 -1.908 1.00 0.00 N ATOM 126 CA GLN A 8 11.929 1.404 -3.162 1.00 0.00 C ATOM 127 C GLN A 8 11.187 2.738 -3.269 1.00 0.00 C ATOM 128 O GLN A 8 11.803 3.777 -3.503 1.00 0.00 O ATOM 129 CB GLN A 8 11.607 0.501 -4.354 1.00 0.00 C ATOM 130 CG GLN A 8 12.878 0.133 -5.122 1.00 0.00 C ATOM 131 CD GLN A 8 12.976 0.920 -6.431 1.00 0.00 C ATOM 132 OE1 GLN A 8 12.003 1.118 -7.140 1.00 0.00 O ATOM 133 NE2 GLN A 8 14.201 1.355 -6.710 1.00 0.00 N ATOM 0 H GLN A 8 11.097 -0.133 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 8 13.001 1.603 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.113 -0.406 -4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.909 1.008 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.752 0.338 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.882 -0.936 -5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.971 1.154 -6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.371 1.890 -7.562 1.00 0.00 H new ATOM 142 N ALA A 9 9.876 2.666 -3.093 1.00 0.00 N ATOM 143 CA ALA A 9 9.045 3.855 -3.167 1.00 0.00 C ATOM 144 C ALA A 9 9.516 4.868 -2.121 1.00 0.00 C ATOM 145 O ALA A 9 9.856 6.001 -2.458 1.00 0.00 O ATOM 146 CB ALA A 9 7.577 3.465 -2.980 1.00 0.00 C ATOM 0 H ALA A 9 9.369 1.802 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 9 9.136 4.325 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.954 4.357 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.283 2.768 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.447 2.992 -2.007 1.00 0.00 H new ATOM 152 N LEU A 10 9.521 4.423 -0.874 1.00 0.00 N ATOM 153 CA LEU A 10 9.945 5.276 0.223 1.00 0.00 C ATOM 154 C LEU A 10 11.252 5.976 -0.156 1.00 0.00 C ATOM 155 O LEU A 10 11.328 7.204 -0.144 1.00 0.00 O ATOM 156 CB LEU A 10 10.033 4.474 1.523 1.00 0.00 C ATOM 157 CG LEU A 10 8.704 3.969 2.090 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.908 3.299 3.451 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.672 5.095 2.155 1.00 0.00 C ATOM 0 H LEU A 10 9.238 3.483 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 10 9.206 6.056 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.683 3.615 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.515 5.095 2.278 1.00 0.00 H new ATOM 0 HG LEU A 10 8.310 3.211 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.948 2.949 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.586 2.452 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.335 4.018 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.737 4.709 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.044 5.893 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.497 5.487 1.153 1.00 0.00 H new ATOM 171 N GLU A 11 12.247 5.165 -0.484 1.00 0.00 N ATOM 172 CA GLU A 11 13.546 5.692 -0.866 1.00 0.00 C ATOM 173 C GLU A 11 13.415 6.583 -2.103 1.00 0.00 C ATOM 174 O GLU A 11 13.819 7.745 -2.081 1.00 0.00 O ATOM 175 CB GLU A 11 14.546 4.559 -1.111 1.00 0.00 C ATOM 176 CG GLU A 11 15.035 3.965 0.212 1.00 0.00 C ATOM 177 CD GLU A 11 16.551 3.762 0.194 1.00 0.00 C ATOM 178 OE1 GLU A 11 17.248 4.722 -0.201 1.00 0.00 O ATOM 179 OE2 GLU A 11 16.980 2.652 0.577 1.00 0.00 O ATOM 0 H GLU A 11 12.180 4.147 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 11 13.926 6.298 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.078 3.780 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.395 4.935 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.763 4.626 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.539 3.011 0.392 1.00 0.00 H new ATOM 186 N LEU A 12 12.847 6.006 -3.152 1.00 0.00 N ATOM 187 CA LEU A 12 12.658 6.733 -4.395 1.00 0.00 C ATOM 188 C LEU A 12 12.018 8.090 -4.094 1.00 0.00 C ATOM 189 O LEU A 12 12.610 9.134 -4.366 1.00 0.00 O ATOM 190 CB LEU A 12 11.866 5.888 -5.395 1.00 0.00 C ATOM 191 CG LEU A 12 11.190 6.655 -6.534 1.00 0.00 C ATOM 192 CD1 LEU A 12 10.795 5.711 -7.671 1.00 0.00 C ATOM 193 CD2 LEU A 12 9.996 7.462 -6.018 1.00 0.00 C ATOM 0 H LEU A 12 12.512 5.043 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 12 13.619 6.931 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.539 5.150 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.100 5.338 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 12 11.908 7.367 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.317 6.281 -8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.686 5.219 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.101 4.959 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.533 7.998 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.267 6.787 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.336 8.177 -5.269 1.00 0.00 H new ATOM 205 N PHE A 13 10.817 8.032 -3.538 1.00 0.00 N ATOM 206 CA PHE A 13 10.090 9.243 -3.197 1.00 0.00 C ATOM 207 C PHE A 13 11.017 10.276 -2.554 1.00 0.00 C ATOM 208 O PHE A 13 11.207 11.366 -3.093 1.00 0.00 O ATOM 209 CB PHE A 13 9.009 8.847 -2.189 1.00 0.00 C ATOM 210 CG PHE A 13 8.005 9.961 -1.884 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.370 10.601 -2.902 1.00 0.00 C ATOM 212 CD2 PHE A 13 7.747 10.310 -0.595 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.438 11.634 -2.619 1.00 0.00 C ATOM 214 CE2 PHE A 13 6.815 11.344 -0.313 1.00 0.00 C ATOM 215 CZ PHE A 13 6.180 11.984 -1.331 1.00 0.00 C ATOM 0 H PHE A 13 10.329 7.165 -3.315 1.00 0.00 H new ATOM 0 HA PHE A 13 9.664 9.687 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.470 7.980 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.488 8.539 -1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.575 10.324 -3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.251 9.801 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.934 12.142 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.611 11.622 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.471 12.770 -1.116 1.00 0.00 H new ATOM 225 N LYS A 14 11.570 9.897 -1.411 1.00 0.00 N ATOM 226 CA LYS A 14 12.473 10.778 -0.689 1.00 0.00 C ATOM 227 C LYS A 14 13.626 11.185 -1.609 1.00 0.00 C ATOM 228 O LYS A 14 14.263 12.215 -1.394 1.00 0.00 O ATOM 229 CB LYS A 14 12.930 10.123 0.616 1.00 0.00 C ATOM 230 CG LYS A 14 13.885 11.039 1.384 1.00 0.00 C ATOM 231 CD LYS A 14 14.401 10.354 2.651 1.00 0.00 C ATOM 232 CE LYS A 14 15.931 10.311 2.667 1.00 0.00 C ATOM 233 NZ LYS A 14 16.468 11.312 3.616 1.00 0.00 N ATOM 0 H LYS A 14 11.410 8.993 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 14 11.959 11.694 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.063 9.894 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.425 9.176 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.725 11.312 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.373 11.964 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.039 10.887 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.005 9.340 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.270 9.314 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.317 10.506 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.507 11.269 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.160 12.263 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.115 11.108 4.573 1.00 0.00 H new ATOM 247 N SER A 15 13.860 10.355 -2.615 1.00 0.00 N ATOM 248 CA SER A 15 14.925 10.615 -3.568 1.00 0.00 C ATOM 249 C SER A 15 14.410 11.515 -4.694 1.00 0.00 C ATOM 250 O SER A 15 15.185 11.965 -5.537 1.00 0.00 O ATOM 251 CB SER A 15 15.481 9.311 -4.143 1.00 0.00 C ATOM 252 OG SER A 15 16.849 9.435 -4.522 1.00 0.00 O ATOM 0 H SER A 15 13.330 9.502 -2.791 1.00 0.00 H new ATOM 0 HA SER A 15 15.735 11.124 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.380 8.517 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.890 9.016 -5.010 1.00 0.00 H new ATOM 0 HG SER A 15 17.167 8.581 -4.883 1.00 0.00 H new ATOM 258 N LEU A 16 13.107 11.750 -4.672 1.00 0.00 N ATOM 259 CA LEU A 16 12.480 12.587 -5.681 1.00 0.00 C ATOM 260 C LEU A 16 12.428 14.031 -5.178 1.00 0.00 C ATOM 261 O LEU A 16 12.530 14.278 -3.977 1.00 0.00 O ATOM 262 CB LEU A 16 11.113 12.023 -6.072 1.00 0.00 C ATOM 263 CG LEU A 16 11.131 10.767 -6.945 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.712 10.250 -7.192 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.884 11.019 -8.253 1.00 0.00 C ATOM 0 H LEU A 16 12.467 11.375 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 16 13.072 12.588 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.560 11.800 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.559 12.800 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 16 11.670 9.986 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.754 9.357 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.243 10.006 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.128 11.019 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.882 10.110 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.395 11.821 -8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.912 11.305 -8.032 1.00 0.00 H new ATOM 277 N PRO A 17 12.264 14.972 -6.146 1.00 0.00 N ATOM 278 CA PRO A 17 12.198 16.385 -5.814 1.00 0.00 C ATOM 279 C PRO A 17 10.844 16.739 -5.194 1.00 0.00 C ATOM 280 O PRO A 17 9.798 16.427 -5.760 1.00 0.00 O ATOM 281 CB PRO A 17 12.458 17.110 -7.124 1.00 0.00 C ATOM 282 CG PRO A 17 12.200 16.091 -8.223 1.00 0.00 C ATOM 283 CD PRO A 17 12.139 14.716 -7.578 1.00 0.00 C ATOM 0 HA PRO A 17 12.931 16.675 -5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.801 17.973 -7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.482 17.481 -7.168 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.265 16.313 -8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.992 16.127 -8.971 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.201 14.211 -7.810 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.943 14.074 -7.937 1.00 0.00 H new ATOM 291 N LYS A 18 10.910 17.385 -4.039 1.00 0.00 N ATOM 292 CA LYS A 18 9.703 17.784 -3.336 1.00 0.00 C ATOM 293 C LYS A 18 8.600 18.083 -4.354 1.00 0.00 C ATOM 294 O LYS A 18 7.604 17.365 -4.424 1.00 0.00 O ATOM 295 CB LYS A 18 9.996 18.949 -2.387 1.00 0.00 C ATOM 296 CG LYS A 18 8.986 18.987 -1.238 1.00 0.00 C ATOM 297 CD LYS A 18 9.383 20.034 -0.195 1.00 0.00 C ATOM 298 CE LYS A 18 8.153 20.557 0.551 1.00 0.00 C ATOM 299 NZ LYS A 18 8.563 21.355 1.728 1.00 0.00 N ATOM 0 H LYS A 18 11.780 17.642 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 18 9.343 16.971 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.005 18.851 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.961 19.889 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.994 19.215 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.926 18.005 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.085 19.597 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.897 20.862 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.547 21.169 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.531 19.721 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.717 21.703 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.122 20.761 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.138 22.163 1.416 1.00 0.00 H new ATOM 313 N GLU A 19 8.815 19.145 -5.117 1.00 0.00 N ATOM 314 CA GLU A 19 7.852 19.547 -6.127 1.00 0.00 C ATOM 315 C GLU A 19 7.208 18.315 -6.768 1.00 0.00 C ATOM 316 O GLU A 19 5.986 18.237 -6.879 1.00 0.00 O ATOM 317 CB GLU A 19 8.507 20.436 -7.186 1.00 0.00 C ATOM 318 CG GLU A 19 9.363 19.607 -8.145 1.00 0.00 C ATOM 319 CD GLU A 19 10.117 20.508 -9.126 1.00 0.00 C ATOM 320 OE1 GLU A 19 9.432 21.128 -9.968 1.00 0.00 O ATOM 321 OE2 GLU A 19 11.361 20.556 -9.011 1.00 0.00 O ATOM 0 H GLU A 19 9.642 19.739 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 19 7.070 20.131 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.738 20.967 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.126 21.191 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.074 19.007 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.729 18.913 -8.697 1.00 0.00 H new ATOM 328 N LEU A 20 8.060 17.385 -7.172 1.00 0.00 N ATOM 329 CA LEU A 20 7.590 16.161 -7.798 1.00 0.00 C ATOM 330 C LEU A 20 6.856 15.311 -6.759 1.00 0.00 C ATOM 331 O LEU A 20 5.738 14.858 -7.000 1.00 0.00 O ATOM 332 CB LEU A 20 8.747 15.431 -8.483 1.00 0.00 C ATOM 333 CG LEU A 20 9.169 15.975 -9.849 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.232 15.082 -10.491 1.00 0.00 C ATOM 335 CD2 LEU A 20 7.955 16.167 -10.761 1.00 0.00 C ATOM 0 H LEU A 20 9.073 17.454 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 20 6.874 16.388 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.612 15.459 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.470 14.383 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 20 9.620 16.956 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.514 15.492 -11.461 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.110 15.040 -9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.831 14.077 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.282 16.555 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.454 15.210 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.263 16.873 -10.302 1.00 0.00 H new ATOM 347 N ARG A 21 7.514 15.120 -5.625 1.00 0.00 N ATOM 348 CA ARG A 21 6.938 14.333 -4.548 1.00 0.00 C ATOM 349 C ARG A 21 5.499 14.777 -4.278 1.00 0.00 C ATOM 350 O ARG A 21 4.676 13.983 -3.823 1.00 0.00 O ATOM 351 CB ARG A 21 7.757 14.473 -3.264 1.00 0.00 C ATOM 352 CG ARG A 21 9.253 14.314 -3.548 1.00 0.00 C ATOM 353 CD ARG A 21 9.963 13.630 -2.378 1.00 0.00 C ATOM 354 NE ARG A 21 9.734 14.393 -1.131 1.00 0.00 N ATOM 355 CZ ARG A 21 10.349 15.546 -0.831 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.233 16.075 -1.687 1.00 0.00 N ATOM 357 NH2 ARG A 21 10.078 16.169 0.324 1.00 0.00 N ATOM 0 H ARG A 21 8.441 15.497 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 21 6.948 13.288 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.570 15.448 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.438 13.722 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.394 13.728 -4.456 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.699 15.292 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.594 12.611 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.032 13.561 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 21 9.066 14.018 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.438 15.601 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.701 16.952 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.404 15.766 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.546 17.046 0.552 1.00 0.00 H new ATOM 371 N SER A 22 5.239 16.043 -4.568 1.00 0.00 N ATOM 372 CA SER A 22 3.914 16.602 -4.362 1.00 0.00 C ATOM 373 C SER A 22 2.927 15.988 -5.357 1.00 0.00 C ATOM 374 O SER A 22 1.753 15.803 -5.038 1.00 0.00 O ATOM 375 CB SER A 22 3.930 18.125 -4.502 1.00 0.00 C ATOM 376 OG SER A 22 2.977 18.750 -3.647 1.00 0.00 O ATOM 0 H SER A 22 5.924 16.698 -4.944 1.00 0.00 H new ATOM 0 HA SER A 22 3.596 16.361 -3.348 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.927 18.500 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.721 18.396 -5.537 1.00 0.00 H new ATOM 0 HG SER A 22 3.020 19.722 -3.765 1.00 0.00 H new ATOM 382 N GLN A 23 3.438 15.689 -6.542 1.00 0.00 N ATOM 383 CA GLN A 23 2.616 15.100 -7.585 1.00 0.00 C ATOM 384 C GLN A 23 2.637 13.574 -7.479 1.00 0.00 C ATOM 385 O GLN A 23 1.627 12.917 -7.729 1.00 0.00 O ATOM 386 CB GLN A 23 3.076 15.560 -8.970 1.00 0.00 C ATOM 387 CG GLN A 23 4.013 14.531 -9.606 1.00 0.00 C ATOM 388 CD GLN A 23 4.544 15.030 -10.951 1.00 0.00 C ATOM 389 OE1 GLN A 23 4.282 16.143 -11.377 1.00 0.00 O ATOM 390 NE2 GLN A 23 5.302 14.147 -11.595 1.00 0.00 N ATOM 0 H GLN A 23 4.412 15.844 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 23 1.590 15.440 -7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.209 15.714 -9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.586 16.520 -8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.847 14.329 -8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.483 13.589 -9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.482 13.232 -11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.703 14.385 -12.502 1.00 0.00 H new ATOM 399 N VAL A 24 3.797 13.054 -7.107 1.00 0.00 N ATOM 400 CA VAL A 24 3.962 11.618 -6.964 1.00 0.00 C ATOM 401 C VAL A 24 2.868 11.072 -6.044 1.00 0.00 C ATOM 402 O VAL A 24 2.153 10.140 -6.410 1.00 0.00 O ATOM 403 CB VAL A 24 5.374 11.300 -6.467 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.493 9.830 -6.058 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.421 11.661 -7.523 1.00 0.00 C ATOM 0 H VAL A 24 4.632 13.602 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 24 3.852 11.123 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 24 5.564 11.910 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.506 9.630 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.785 9.617 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.273 9.195 -6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.416 11.425 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.233 11.089 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.361 12.726 -7.746 1.00 0.00 H new ATOM 415 N LEU A 25 2.772 11.675 -4.869 1.00 0.00 N ATOM 416 CA LEU A 25 1.778 11.261 -3.894 1.00 0.00 C ATOM 417 C LEU A 25 0.393 11.279 -4.545 1.00 0.00 C ATOM 418 O LEU A 25 -0.435 10.410 -4.276 1.00 0.00 O ATOM 419 CB LEU A 25 1.875 12.119 -2.631 1.00 0.00 C ATOM 420 CG LEU A 25 3.140 11.935 -1.791 1.00 0.00 C ATOM 421 CD1 LEU A 25 3.068 12.760 -0.504 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.400 10.454 -1.508 1.00 0.00 C ATOM 0 H LEU A 25 3.367 12.448 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 25 1.966 10.237 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.805 13.167 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.011 11.904 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 25 3.988 12.307 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.979 12.611 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.965 13.816 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.208 12.441 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.305 10.351 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.555 10.034 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.526 9.920 -2.450 1.00 0.00 H new ATOM 434 N LEU A 26 0.185 12.279 -5.389 1.00 0.00 N ATOM 435 CA LEU A 26 -1.085 12.423 -6.080 1.00 0.00 C ATOM 436 C LEU A 26 -1.294 11.223 -7.007 1.00 0.00 C ATOM 437 O LEU A 26 -2.305 10.529 -6.910 1.00 0.00 O ATOM 438 CB LEU A 26 -1.156 13.773 -6.797 1.00 0.00 C ATOM 439 CG LEU A 26 -1.770 14.924 -5.999 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.241 14.648 -5.682 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.956 15.212 -4.736 1.00 0.00 C ATOM 0 H LEU A 26 0.875 12.997 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.909 12.424 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.146 14.059 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.731 13.645 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.736 15.822 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.653 15.482 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.798 14.531 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.321 13.734 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.415 16.035 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.935 14.323 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.062 15.484 -5.014 1.00 0.00 H new ATOM 453 N GLU A 27 -0.323 11.017 -7.884 1.00 0.00 N ATOM 454 CA GLU A 27 -0.388 9.914 -8.827 1.00 0.00 C ATOM 455 C GLU A 27 -0.761 8.618 -8.104 1.00 0.00 C ATOM 456 O GLU A 27 -1.693 7.924 -8.506 1.00 0.00 O ATOM 457 CB GLU A 27 0.933 9.759 -9.583 1.00 0.00 C ATOM 458 CG GLU A 27 1.398 11.100 -10.154 1.00 0.00 C ATOM 459 CD GLU A 27 1.726 10.977 -11.643 1.00 0.00 C ATOM 460 OE1 GLU A 27 0.816 10.560 -12.392 1.00 0.00 O ATOM 461 OE2 GLU A 27 2.879 11.304 -12.000 1.00 0.00 O ATOM 0 H GLU A 27 0.513 11.596 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.164 10.135 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.695 9.361 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.811 9.038 -10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.620 11.850 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.278 11.445 -9.611 1.00 0.00 H new ATOM 468 N TYR A 28 -0.012 8.331 -7.048 1.00 0.00 N ATOM 469 CA TYR A 28 -0.252 7.131 -6.265 1.00 0.00 C ATOM 470 C TYR A 28 -1.748 6.934 -6.008 1.00 0.00 C ATOM 471 O TYR A 28 -2.293 5.865 -6.279 1.00 0.00 O ATOM 472 CB TYR A 28 0.459 7.351 -4.928 1.00 0.00 C ATOM 473 CG TYR A 28 1.950 7.012 -4.954 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.688 7.229 -6.100 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.559 6.491 -3.830 1.00 0.00 C ATOM 476 CE1 TYR A 28 4.092 6.910 -6.124 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.963 6.172 -3.854 1.00 0.00 C ATOM 478 CZ TYR A 28 4.660 6.397 -5.000 1.00 0.00 C ATOM 479 OH TYR A 28 5.986 6.096 -5.023 1.00 0.00 O ATOM 0 H TYR A 28 0.761 8.909 -6.717 1.00 0.00 H new ATOM 0 HA TYR A 28 0.112 6.249 -6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.339 8.393 -4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.028 6.744 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.212 7.638 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.982 6.323 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.681 7.074 -7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.451 5.763 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 28 6.362 6.205 -4.124 1.00 0.00 H new ATOM 489 N ALA A 29 -2.369 7.982 -5.486 1.00 0.00 N ATOM 490 CA ALA A 29 -3.790 7.938 -5.189 1.00 0.00 C ATOM 491 C ALA A 29 -4.573 7.752 -6.490 1.00 0.00 C ATOM 492 O ALA A 29 -5.629 7.121 -6.499 1.00 0.00 O ATOM 493 CB ALA A 29 -4.195 9.210 -4.441 1.00 0.00 C ATOM 0 H ALA A 29 -1.913 8.867 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.021 7.092 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.261 9.177 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.632 9.280 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.981 10.081 -5.061 1.00 0.00 H new ATOM 499 N ALA A 30 -4.026 8.314 -7.558 1.00 0.00 N ATOM 500 CA ALA A 30 -4.660 8.218 -8.862 1.00 0.00 C ATOM 501 C ALA A 30 -4.607 6.767 -9.345 1.00 0.00 C ATOM 502 O ALA A 30 -5.429 6.350 -10.159 1.00 0.00 O ATOM 503 CB ALA A 30 -3.977 9.181 -9.834 1.00 0.00 C ATOM 0 H ALA A 30 -3.151 8.837 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.709 8.507 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.453 9.109 -10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.068 10.201 -9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.922 8.921 -9.923 1.00 0.00 H new ATOM 509 N LYS A 31 -3.632 6.038 -8.822 1.00 0.00 N ATOM 510 CA LYS A 31 -3.461 4.643 -9.189 1.00 0.00 C ATOM 511 C LYS A 31 -4.354 3.773 -8.301 1.00 0.00 C ATOM 512 O LYS A 31 -4.868 2.748 -8.746 1.00 0.00 O ATOM 513 CB LYS A 31 -1.982 4.254 -9.143 1.00 0.00 C ATOM 514 CG LYS A 31 -1.255 4.715 -10.408 1.00 0.00 C ATOM 515 CD LYS A 31 -0.488 6.014 -10.157 1.00 0.00 C ATOM 516 CE LYS A 31 0.905 5.960 -10.788 1.00 0.00 C ATOM 517 NZ LYS A 31 0.803 5.742 -12.249 1.00 0.00 N ATOM 0 H LYS A 31 -2.952 6.388 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.778 4.479 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.512 4.700 -8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.890 3.173 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.565 3.939 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.976 4.864 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.045 6.855 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.399 6.186 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.437 6.890 -10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.486 5.157 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.730 5.909 -12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.503 4.764 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.105 6.400 -12.650 1.00 0.00 H new ATOM 531 N VAL A 32 -4.509 4.214 -7.061 1.00 0.00 N ATOM 532 CA VAL A 32 -5.331 3.488 -6.107 1.00 0.00 C ATOM 533 C VAL A 32 -6.598 2.992 -6.805 1.00 0.00 C ATOM 534 O VAL A 32 -7.537 3.759 -7.013 1.00 0.00 O ATOM 535 CB VAL A 32 -5.624 4.370 -4.892 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.704 3.744 -4.007 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.349 4.642 -4.091 1.00 0.00 C ATOM 0 H VAL A 32 -4.080 5.064 -6.695 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.801 2.611 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.001 5.326 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.893 4.391 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.622 3.626 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.367 2.768 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.586 5.271 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.929 3.698 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.623 5.151 -4.725 1.00 0.00 H new ATOM 547 N PRO A 33 -6.584 1.678 -7.156 1.00 0.00 N ATOM 548 CA PRO A 33 -7.721 1.070 -7.826 1.00 0.00 C ATOM 549 C PRO A 33 -8.872 0.832 -6.847 1.00 0.00 C ATOM 550 O PRO A 33 -8.655 0.734 -5.640 1.00 0.00 O ATOM 551 CB PRO A 33 -7.181 -0.215 -8.431 1.00 0.00 C ATOM 552 CG PRO A 33 -5.887 -0.512 -7.691 1.00 0.00 C ATOM 553 CD PRO A 33 -5.490 0.740 -6.925 1.00 0.00 C ATOM 0 HA PRO A 33 -8.145 1.711 -8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.894 -1.031 -8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.002 -0.098 -9.500 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.022 -1.351 -7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.102 -0.795 -8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.365 0.531 -5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.542 1.141 -7.285 1.00 0.00 H new ATOM 561 N PRO A 34 -10.104 0.743 -7.417 1.00 0.00 N ATOM 562 CA PRO A 34 -11.289 0.518 -6.608 1.00 0.00 C ATOM 563 C PRO A 34 -11.364 -0.936 -6.138 1.00 0.00 C ATOM 564 O PRO A 34 -10.850 -1.834 -6.802 1.00 0.00 O ATOM 565 CB PRO A 34 -12.455 0.916 -7.498 1.00 0.00 C ATOM 566 CG PRO A 34 -11.916 0.905 -8.920 1.00 0.00 C ATOM 567 CD PRO A 34 -10.399 0.855 -8.843 1.00 0.00 C ATOM 0 HA PRO A 34 -11.289 1.105 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.285 0.218 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -12.831 1.903 -7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.299 0.043 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.242 1.795 -9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.002 0.005 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.951 1.752 -9.271 1.00 0.00 H new ATOM 575 N PRO A 35 -12.026 -1.127 -4.965 1.00 0.00 N ATOM 576 CA PRO A 35 -12.174 -2.457 -4.398 1.00 0.00 C ATOM 577 C PRO A 35 -13.225 -3.264 -5.163 1.00 0.00 C ATOM 578 O PRO A 35 -14.112 -2.694 -5.797 1.00 0.00 O ATOM 579 CB PRO A 35 -12.547 -2.225 -2.943 1.00 0.00 C ATOM 580 CG PRO A 35 -13.046 -0.791 -2.864 1.00 0.00 C ATOM 581 CD PRO A 35 -12.647 -0.087 -4.150 1.00 0.00 C ATOM 0 HA PRO A 35 -11.262 -3.050 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.318 -2.925 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.687 -2.376 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.128 -0.770 -2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.614 -0.284 -2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.514 0.344 -4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.953 0.730 -3.955 1.00 0.00 H new ATOM 589 N PRO A 36 -13.088 -4.615 -5.076 1.00 0.00 N ATOM 590 CA PRO A 36 -14.015 -5.506 -5.752 1.00 0.00 C ATOM 591 C PRO A 36 -15.357 -5.560 -5.019 1.00 0.00 C ATOM 592 O PRO A 36 -15.442 -5.202 -3.845 1.00 0.00 O ATOM 593 CB PRO A 36 -13.307 -6.851 -5.795 1.00 0.00 C ATOM 594 CG PRO A 36 -12.216 -6.781 -4.739 1.00 0.00 C ATOM 595 CD PRO A 36 -12.051 -5.326 -4.334 1.00 0.00 C ATOM 0 HA PRO A 36 -14.264 -5.169 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.001 -7.665 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.884 -7.038 -6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.482 -7.390 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.279 -7.176 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.175 -5.198 -3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.058 -4.955 -4.587 1.00 0.00 H new ATOM 603 N PRO A 37 -16.399 -6.024 -5.760 1.00 0.00 N ATOM 604 CA PRO A 37 -17.732 -6.129 -5.193 1.00 0.00 C ATOM 605 C PRO A 37 -17.831 -7.326 -4.244 1.00 0.00 C ATOM 606 O PRO A 37 -17.475 -8.444 -4.611 1.00 0.00 O ATOM 607 CB PRO A 37 -18.661 -6.243 -6.391 1.00 0.00 C ATOM 608 CG PRO A 37 -17.785 -6.663 -7.560 1.00 0.00 C ATOM 609 CD PRO A 37 -16.335 -6.457 -7.153 1.00 0.00 C ATOM 0 HA PRO A 37 -17.998 -5.268 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -19.446 -6.977 -6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.154 -5.293 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -17.965 -7.707 -7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.021 -6.072 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -15.760 -7.378 -7.256 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -15.851 -5.707 -7.779 1.00 0.00 H new ATOM 617 N GLY A 38 -18.317 -7.049 -3.043 1.00 0.00 N ATOM 618 CA GLY A 38 -18.467 -8.088 -2.039 1.00 0.00 C ATOM 619 C GLY A 38 -17.462 -7.900 -0.901 1.00 0.00 C ATOM 620 O GLY A 38 -17.749 -8.236 0.248 1.00 0.00 O ATOM 0 H GLY A 38 -18.612 -6.120 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.481 -8.069 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.323 -9.066 -2.498 1.00 0.00 H new ATOM 624 N VAL A 39 -16.305 -7.363 -1.258 1.00 0.00 N ATOM 625 CA VAL A 39 -15.256 -7.127 -0.281 1.00 0.00 C ATOM 626 C VAL A 39 -15.743 -6.104 0.747 1.00 0.00 C ATOM 627 O VAL A 39 -16.316 -5.078 0.384 1.00 0.00 O ATOM 628 CB VAL A 39 -13.969 -6.696 -0.989 1.00 0.00 C ATOM 629 CG1 VAL A 39 -13.011 -6.009 -0.014 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.295 -7.887 -1.673 1.00 0.00 C ATOM 0 H VAL A 39 -16.071 -7.084 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.023 -8.045 0.259 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.236 -5.974 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.105 -5.713 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.491 -5.125 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.753 -6.699 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.383 -7.554 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.047 -8.643 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.974 -8.314 -2.411 1.00 0.00 H new ATOM 640 N GLU A 40 -15.498 -6.420 2.010 1.00 0.00 N ATOM 641 CA GLU A 40 -15.905 -5.541 3.093 1.00 0.00 C ATOM 642 C GLU A 40 -14.703 -4.754 3.619 1.00 0.00 C ATOM 643 O GLU A 40 -13.656 -5.332 3.905 1.00 0.00 O ATOM 644 CB GLU A 40 -16.577 -6.332 4.218 1.00 0.00 C ATOM 645 CG GLU A 40 -16.733 -5.474 5.475 1.00 0.00 C ATOM 646 CD GLU A 40 -18.060 -5.766 6.177 1.00 0.00 C ATOM 647 OE1 GLU A 40 -18.286 -6.954 6.492 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.819 -4.794 6.383 1.00 0.00 O ATOM 0 H GLU A 40 -15.023 -7.272 2.308 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.636 -4.832 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.556 -6.681 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.984 -7.217 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.906 -5.669 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.684 -4.418 5.208 1.00 0.00 H new ATOM 655 N LEU A 41 -14.894 -3.448 3.730 1.00 0.00 N ATOM 656 CA LEU A 41 -13.839 -2.576 4.216 1.00 0.00 C ATOM 657 C LEU A 41 -14.265 -1.960 5.550 1.00 0.00 C ATOM 658 O LEU A 41 -15.456 -1.791 5.807 1.00 0.00 O ATOM 659 CB LEU A 41 -13.467 -1.540 3.152 1.00 0.00 C ATOM 660 CG LEU A 41 -12.958 -2.099 1.822 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.039 -2.017 0.743 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.666 -1.400 1.392 1.00 0.00 C ATOM 0 H LEU A 41 -15.764 -2.972 3.492 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.930 -3.147 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.343 -0.922 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.701 -0.883 3.565 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.723 -3.154 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.651 -2.421 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.909 -2.595 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.329 -0.976 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.325 -1.816 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.852 -0.332 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.899 -1.553 2.152 1.00 0.00 H new ATOM 674 N GLU A 42 -13.269 -1.643 6.364 1.00 0.00 N ATOM 675 CA GLU A 42 -13.527 -1.050 7.665 1.00 0.00 C ATOM 676 C GLU A 42 -13.083 0.414 7.679 1.00 0.00 C ATOM 677 O GLU A 42 -11.990 0.739 7.217 1.00 0.00 O ATOM 678 CB GLU A 42 -12.835 -1.843 8.776 1.00 0.00 C ATOM 679 CG GLU A 42 -13.480 -1.563 10.134 1.00 0.00 C ATOM 680 CD GLU A 42 -14.043 -2.846 10.749 1.00 0.00 C ATOM 681 OE1 GLU A 42 -13.231 -3.768 10.979 1.00 0.00 O ATOM 682 OE2 GLU A 42 -15.272 -2.876 10.975 1.00 0.00 O ATOM 0 H GLU A 42 -12.282 -1.786 6.148 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.600 -1.086 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.891 -2.909 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.778 -1.580 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.743 -1.126 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.279 -0.831 10.017 1.00 0.00 H new ATOM 689 N ARG A 43 -13.953 1.258 8.214 1.00 0.00 N ATOM 690 CA ARG A 43 -13.664 2.680 8.293 1.00 0.00 C ATOM 691 C ARG A 43 -12.585 2.944 9.346 1.00 0.00 C ATOM 692 O ARG A 43 -12.604 2.350 10.422 1.00 0.00 O ATOM 693 CB ARG A 43 -14.920 3.478 8.649 1.00 0.00 C ATOM 694 CG ARG A 43 -14.559 4.895 9.101 1.00 0.00 C ATOM 695 CD ARG A 43 -15.582 5.911 8.590 1.00 0.00 C ATOM 696 NE ARG A 43 -16.861 5.753 9.318 1.00 0.00 N ATOM 697 CZ ARG A 43 -17.846 6.661 9.313 1.00 0.00 C ATOM 698 NH1 ARG A 43 -17.705 7.798 8.618 1.00 0.00 N ATOM 699 NH2 ARG A 43 -18.971 6.433 10.004 1.00 0.00 N ATOM 0 H ARG A 43 -14.858 0.985 8.597 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.308 3.001 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.582 3.526 7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.467 2.968 9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.516 4.933 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.567 5.156 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.200 6.923 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.743 5.771 7.521 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.001 4.899 9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.848 7.972 8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.455 8.490 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.078 5.568 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.721 7.124 10.000 1.00 0.00 H new ATOM 713 N VAL A 44 -11.669 3.836 8.997 1.00 0.00 N ATOM 714 CA VAL A 44 -10.584 4.187 9.898 1.00 0.00 C ATOM 715 C VAL A 44 -10.958 5.452 10.672 1.00 0.00 C ATOM 716 O VAL A 44 -10.753 6.564 10.187 1.00 0.00 O ATOM 717 CB VAL A 44 -9.278 4.329 9.114 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.125 4.727 10.037 1.00 0.00 C ATOM 719 CG2 VAL A 44 -8.952 3.043 8.353 1.00 0.00 C ATOM 0 H VAL A 44 -11.656 4.326 8.103 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.424 3.395 10.629 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.412 5.126 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.209 4.821 9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.352 5.681 10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.991 3.963 10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.019 3.171 7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.847 2.219 9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.757 2.821 7.653 1.00 0.00 H new ATOM 729 N HIS A 45 -11.500 5.241 11.862 1.00 0.00 N ATOM 730 CA HIS A 45 -11.904 6.351 12.708 1.00 0.00 C ATOM 731 C HIS A 45 -10.674 7.171 13.102 1.00 0.00 C ATOM 732 O HIS A 45 -10.770 8.379 13.313 1.00 0.00 O ATOM 733 CB HIS A 45 -12.696 5.852 13.918 1.00 0.00 C ATOM 734 CG HIS A 45 -14.190 5.812 13.700 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.774 6.033 12.465 1.00 0.00 N ATOM 736 CD2 HIS A 45 -15.212 5.572 14.572 1.00 0.00 C ATOM 737 CE1 HIS A 45 -16.088 5.930 12.599 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.357 5.645 13.905 1.00 0.00 N ATOM 0 H HIS A 45 -11.669 4.317 12.261 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.574 7.009 12.155 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.350 4.852 14.178 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.481 6.496 14.771 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -15.107 5.359 15.626 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.818 6.051 11.812 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.286 5.510 14.304 1.00 0.00 H new ATOM 746 N GLU A 46 -9.546 6.481 13.190 1.00 0.00 N ATOM 747 CA GLU A 46 -8.298 7.130 13.554 1.00 0.00 C ATOM 748 C GLU A 46 -7.957 8.230 12.546 1.00 0.00 C ATOM 749 O GLU A 46 -7.107 9.078 12.812 1.00 0.00 O ATOM 750 CB GLU A 46 -7.161 6.112 13.661 1.00 0.00 C ATOM 751 CG GLU A 46 -5.945 6.719 14.363 1.00 0.00 C ATOM 752 CD GLU A 46 -5.505 5.853 15.545 1.00 0.00 C ATOM 753 OE1 GLU A 46 -4.755 4.886 15.291 1.00 0.00 O ATOM 754 OE2 GLU A 46 -5.929 6.178 16.675 1.00 0.00 O ATOM 0 H GLU A 46 -9.470 5.479 13.015 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.423 7.590 14.534 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.503 5.236 14.212 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.878 5.772 12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.123 6.818 13.654 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.186 7.723 14.713 1.00 0.00 H new ATOM 761 N CYS A 47 -8.639 8.179 11.411 1.00 0.00 N ATOM 762 CA CYS A 47 -8.419 9.161 10.362 1.00 0.00 C ATOM 763 C CYS A 47 -9.628 10.097 10.319 1.00 0.00 C ATOM 764 O CYS A 47 -9.548 11.194 9.769 1.00 0.00 O ATOM 765 CB CYS A 47 -8.163 8.494 9.009 1.00 0.00 C ATOM 766 SG CYS A 47 -7.300 9.658 7.891 1.00 0.00 S ATOM 0 H CYS A 47 -9.344 7.474 11.195 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.522 9.740 10.583 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.562 7.595 9.145 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.108 8.182 8.564 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.086 9.081 6.746 1.00 0.00 H new ATOM 772 N GLN A 48 -10.720 9.629 10.905 1.00 0.00 N ATOM 773 CA GLN A 48 -11.944 10.410 10.940 1.00 0.00 C ATOM 774 C GLN A 48 -12.676 10.311 9.601 1.00 0.00 C ATOM 775 O GLN A 48 -13.823 9.869 9.547 1.00 0.00 O ATOM 776 CB GLN A 48 -11.653 11.869 11.299 1.00 0.00 C ATOM 777 CG GLN A 48 -10.509 11.967 12.310 1.00 0.00 C ATOM 778 CD GLN A 48 -10.770 13.080 13.327 1.00 0.00 C ATOM 779 OE1 GLN A 48 -11.110 14.201 12.986 1.00 0.00 O ATOM 780 NE2 GLN A 48 -10.591 12.710 14.592 1.00 0.00 N ATOM 0 H GLN A 48 -10.782 8.718 11.360 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.591 10.001 11.716 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.395 12.425 10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.549 12.331 11.713 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.395 11.015 12.829 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.572 12.160 11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.306 11.755 14.809 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.739 13.381 15.346 1.00 0.00 H new ATOM 789 N THR A 49 -11.983 10.729 8.552 1.00 0.00 N ATOM 790 CA THR A 49 -12.553 10.692 7.215 1.00 0.00 C ATOM 791 C THR A 49 -13.069 9.288 6.894 1.00 0.00 C ATOM 792 O THR A 49 -12.684 8.318 7.545 1.00 0.00 O ATOM 793 CB THR A 49 -11.489 11.188 6.234 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.275 10.622 6.722 1.00 0.00 O ATOM 795 CG2 THR A 49 -11.261 12.698 6.331 1.00 0.00 C ATOM 0 H THR A 49 -11.032 11.095 8.600 1.00 0.00 H new ATOM 0 HA THR A 49 -13.420 11.348 7.136 1.00 0.00 H new ATOM 0 HB THR A 49 -11.785 10.930 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.634 11.338 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.497 12.997 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.191 13.221 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.933 12.952 7.339 1.00 0.00 H new ATOM 803 N PRO A 50 -13.954 9.223 5.864 1.00 0.00 N ATOM 804 CA PRO A 50 -14.527 7.954 5.448 1.00 0.00 C ATOM 805 C PRO A 50 -13.506 7.121 4.669 1.00 0.00 C ATOM 806 O PRO A 50 -13.716 6.815 3.496 1.00 0.00 O ATOM 807 CB PRO A 50 -15.746 8.325 4.620 1.00 0.00 C ATOM 808 CG PRO A 50 -15.549 9.777 4.215 1.00 0.00 C ATOM 809 CD PRO A 50 -14.432 10.352 5.070 1.00 0.00 C ATOM 0 HA PRO A 50 -14.812 7.324 6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.832 7.683 3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.662 8.201 5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.295 9.847 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.470 10.342 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.635 10.768 4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.796 11.158 5.707 1.00 0.00 H new ATOM 817 N PHE A 51 -12.424 6.779 5.353 1.00 0.00 N ATOM 818 CA PHE A 51 -11.371 5.987 4.740 1.00 0.00 C ATOM 819 C PHE A 51 -11.487 4.515 5.141 1.00 0.00 C ATOM 820 O PHE A 51 -11.198 4.154 6.281 1.00 0.00 O ATOM 821 CB PHE A 51 -10.040 6.540 5.253 1.00 0.00 C ATOM 822 CG PHE A 51 -8.810 5.903 4.603 1.00 0.00 C ATOM 823 CD1 PHE A 51 -8.861 5.494 3.307 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.666 5.746 5.322 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.719 4.902 2.705 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.525 5.154 4.719 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.575 4.745 3.423 1.00 0.00 C ATOM 0 H PHE A 51 -12.254 7.036 6.325 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.445 6.046 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -10.014 7.616 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.987 6.390 6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.769 5.619 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.626 6.071 6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.759 4.576 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.617 5.028 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.707 4.296 2.964 1.00 0.00 H new ATOM 837 N PHE A 52 -11.911 3.705 4.182 1.00 0.00 N ATOM 838 CA PHE A 52 -12.069 2.281 4.421 1.00 0.00 C ATOM 839 C PHE A 52 -10.973 1.481 3.714 1.00 0.00 C ATOM 840 O PHE A 52 -10.372 1.960 2.753 1.00 0.00 O ATOM 841 CB PHE A 52 -13.428 1.879 3.846 1.00 0.00 C ATOM 842 CG PHE A 52 -14.503 2.960 3.976 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.107 3.178 5.175 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.855 3.703 2.892 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.105 4.181 5.295 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.852 4.706 3.013 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.456 4.924 4.211 1.00 0.00 C ATOM 0 H PHE A 52 -12.150 4.008 3.238 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.001 2.074 5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.305 1.628 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.772 0.976 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.828 2.588 6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.376 3.530 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.585 4.354 6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -16.131 5.296 2.153 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.215 5.687 4.302 1.00 0.00 H new ATOM 857 N VAL A 53 -10.745 0.277 4.216 1.00 0.00 N ATOM 858 CA VAL A 53 -9.732 -0.594 3.644 1.00 0.00 C ATOM 859 C VAL A 53 -10.045 -2.045 4.014 1.00 0.00 C ATOM 860 O VAL A 53 -10.958 -2.307 4.795 1.00 0.00 O ATOM 861 CB VAL A 53 -8.341 -0.147 4.100 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.899 -0.917 5.347 1.00 0.00 C ATOM 863 CG2 VAL A 53 -7.319 -0.300 2.971 1.00 0.00 C ATOM 0 H VAL A 53 -11.245 -0.117 5.013 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.740 -0.527 2.556 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.397 0.910 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.908 -0.580 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.607 -0.736 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.868 -1.983 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.339 0.024 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.268 -1.345 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.621 0.312 2.121 1.00 0.00 H new ATOM 873 N HIS A 54 -9.270 -2.950 3.435 1.00 0.00 N ATOM 874 CA HIS A 54 -9.453 -4.368 3.693 1.00 0.00 C ATOM 875 C HIS A 54 -8.219 -5.139 3.220 1.00 0.00 C ATOM 876 O HIS A 54 -7.941 -5.198 2.023 1.00 0.00 O ATOM 877 CB HIS A 54 -10.749 -4.873 3.056 1.00 0.00 C ATOM 878 CG HIS A 54 -11.017 -6.341 3.292 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.699 -6.809 4.402 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.691 -7.437 2.550 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.772 -8.130 4.321 1.00 0.00 C ATOM 882 NE2 HIS A 54 -11.146 -8.517 3.173 1.00 0.00 N ATOM 0 H HIS A 54 -8.513 -2.729 2.788 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.554 -4.537 4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.585 -4.294 3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.710 -4.689 1.982 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -12.080 -6.235 5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.153 -7.428 1.613 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.244 -8.785 5.038 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.044 -9.478 2.847 1.00 0.00 H new ATOM 890 N ALA A 55 -7.513 -5.712 4.184 1.00 0.00 N ATOM 891 CA ALA A 55 -6.316 -6.478 3.880 1.00 0.00 C ATOM 892 C ALA A 55 -6.651 -7.971 3.901 1.00 0.00 C ATOM 893 O ALA A 55 -7.426 -8.425 4.742 1.00 0.00 O ATOM 894 CB ALA A 55 -5.212 -6.114 4.875 1.00 0.00 C ATOM 0 H ALA A 55 -7.747 -5.661 5.176 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.949 -6.237 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.314 -6.688 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.991 -5.049 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.544 -6.345 5.887 1.00 0.00 H new ATOM 900 N ASP A 56 -6.052 -8.692 2.965 1.00 0.00 N ATOM 901 CA ASP A 56 -6.278 -10.124 2.866 1.00 0.00 C ATOM 902 C ASP A 56 -5.214 -10.741 1.956 1.00 0.00 C ATOM 903 O ASP A 56 -4.520 -10.028 1.234 1.00 0.00 O ATOM 904 CB ASP A 56 -7.650 -10.425 2.260 1.00 0.00 C ATOM 905 CG ASP A 56 -8.783 -10.592 3.275 1.00 0.00 C ATOM 906 OD1 ASP A 56 -8.469 -10.563 4.485 1.00 0.00 O ATOM 907 OD2 ASP A 56 -9.936 -10.744 2.818 1.00 0.00 O ATOM 0 H ASP A 56 -5.411 -8.312 2.269 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.228 -10.544 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.912 -9.619 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.576 -11.337 1.667 1.00 0.00 H new ATOM 912 N VAL A 57 -5.119 -12.061 2.021 1.00 0.00 N ATOM 913 CA VAL A 57 -4.151 -12.783 1.212 1.00 0.00 C ATOM 914 C VAL A 57 -4.819 -14.019 0.607 1.00 0.00 C ATOM 915 O VAL A 57 -5.321 -14.876 1.333 1.00 0.00 O ATOM 916 CB VAL A 57 -2.916 -13.121 2.050 1.00 0.00 C ATOM 917 CG1 VAL A 57 -3.315 -13.569 3.458 1.00 0.00 C ATOM 918 CG2 VAL A 57 -2.058 -14.182 1.359 1.00 0.00 C ATOM 0 H VAL A 57 -5.696 -12.650 2.621 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.806 -12.162 0.385 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.317 -12.215 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.419 -13.803 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.864 -12.768 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.946 -14.455 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.187 -14.404 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.645 -15.090 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.730 -13.809 0.389 1.00 0.00 H new ATOM 928 N GLU A 58 -4.804 -14.072 -0.717 1.00 0.00 N ATOM 929 CA GLU A 58 -5.402 -15.189 -1.428 1.00 0.00 C ATOM 930 C GLU A 58 -4.329 -15.966 -2.194 1.00 0.00 C ATOM 931 O GLU A 58 -3.885 -15.534 -3.256 1.00 0.00 O ATOM 932 CB GLU A 58 -6.509 -14.711 -2.368 1.00 0.00 C ATOM 933 CG GLU A 58 -7.874 -15.239 -1.922 1.00 0.00 C ATOM 934 CD GLU A 58 -8.992 -14.271 -2.315 1.00 0.00 C ATOM 935 OE1 GLU A 58 -8.661 -13.090 -2.559 1.00 0.00 O ATOM 936 OE2 GLU A 58 -10.152 -14.733 -2.364 1.00 0.00 O ATOM 0 H GLU A 58 -4.387 -13.359 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.856 -15.859 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.526 -13.621 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.299 -15.047 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.056 -16.214 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.877 -15.384 -0.842 1.00 0.00 H new ATOM 943 N GLY A 59 -3.945 -17.100 -1.625 1.00 0.00 N ATOM 944 CA GLY A 59 -2.933 -17.941 -2.242 1.00 0.00 C ATOM 945 C GLY A 59 -1.557 -17.687 -1.622 1.00 0.00 C ATOM 946 O GLY A 59 -1.111 -18.443 -0.761 1.00 0.00 O ATOM 0 H GLY A 59 -4.316 -17.456 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.203 -18.990 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.895 -17.744 -3.313 1.00 0.00 H new ATOM 950 N GLY A 60 -0.923 -16.620 -2.085 1.00 0.00 N ATOM 951 CA GLY A 60 0.393 -16.257 -1.587 1.00 0.00 C ATOM 952 C GLY A 60 0.678 -14.772 -1.822 1.00 0.00 C ATOM 953 O GLY A 60 1.835 -14.359 -1.873 1.00 0.00 O ATOM 0 H GLY A 60 -1.296 -15.995 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.457 -16.479 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.153 -16.860 -2.084 1.00 0.00 H new ATOM 957 N LYS A 61 -0.398 -14.010 -1.959 1.00 0.00 N ATOM 958 CA LYS A 61 -0.278 -12.580 -2.188 1.00 0.00 C ATOM 959 C LYS A 61 -1.356 -11.848 -1.386 1.00 0.00 C ATOM 960 O LYS A 61 -2.483 -12.326 -1.273 1.00 0.00 O ATOM 961 CB LYS A 61 -0.311 -12.273 -3.686 1.00 0.00 C ATOM 962 CG LYS A 61 -1.747 -12.067 -4.172 1.00 0.00 C ATOM 963 CD LYS A 61 -1.775 -11.680 -5.652 1.00 0.00 C ATOM 964 CE LYS A 61 -2.751 -12.564 -6.432 1.00 0.00 C ATOM 965 NZ LYS A 61 -2.978 -12.014 -7.787 1.00 0.00 N ATOM 0 H LYS A 61 -1.356 -14.356 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 61 0.686 -12.216 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.278 -11.379 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.150 -13.092 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.321 -12.981 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.227 -11.288 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.066 -10.634 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.775 -11.775 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.355 -13.577 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.698 -12.631 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.642 -12.625 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.377 -11.056 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.075 -11.973 -8.301 1.00 0.00 H new ATOM 979 N VAL A 62 -0.971 -10.699 -0.849 1.00 0.00 N ATOM 980 CA VAL A 62 -1.890 -9.896 -0.061 1.00 0.00 C ATOM 981 C VAL A 62 -2.643 -8.937 -0.985 1.00 0.00 C ATOM 982 O VAL A 62 -2.028 -8.197 -1.752 1.00 0.00 O ATOM 983 CB VAL A 62 -1.131 -9.178 1.056 1.00 0.00 C ATOM 984 CG1 VAL A 62 0.155 -9.926 1.415 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.832 -7.728 0.672 1.00 0.00 C ATOM 0 H VAL A 62 -0.035 -10.305 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.632 -10.530 0.424 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.769 -9.166 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.675 -9.394 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.092 -10.933 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.799 -9.985 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.292 -7.241 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.223 -7.709 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.768 -7.199 0.490 1.00 0.00 H new ATOM 995 N ARG A 63 -3.963 -8.980 -0.881 1.00 0.00 N ATOM 996 CA ARG A 63 -4.806 -8.124 -1.697 1.00 0.00 C ATOM 997 C ARG A 63 -5.149 -6.839 -0.940 1.00 0.00 C ATOM 998 O ARG A 63 -5.818 -6.882 0.091 1.00 0.00 O ATOM 999 CB ARG A 63 -6.101 -8.838 -2.089 1.00 0.00 C ATOM 1000 CG ARG A 63 -5.816 -10.021 -3.017 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.223 -9.546 -4.344 1.00 0.00 C ATOM 1002 NE ARG A 63 -6.140 -9.878 -5.457 1.00 0.00 N ATOM 1003 CZ ARG A 63 -7.129 -9.078 -5.879 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -7.334 -7.895 -5.285 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -7.913 -9.461 -6.896 1.00 0.00 N ATOM 0 H ARG A 63 -4.469 -9.595 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.251 -7.879 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.612 -9.189 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.772 -8.136 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.125 -10.710 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.738 -10.572 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.053 -8.470 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.254 -10.017 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.011 -10.771 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.737 -7.603 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.087 -7.287 -5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.757 -10.361 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.666 -8.852 -7.217 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.675 -5.727 -1.482 1.00 0.00 N ATOM 1020 CA LEU A 64 -4.923 -4.432 -0.870 1.00 0.00 C ATOM 1021 C LEU A 64 -6.189 -3.822 -1.474 1.00 0.00 C ATOM 1022 O LEU A 64 -6.348 -3.794 -2.694 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.689 -3.536 -0.993 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.700 -3.592 0.173 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.506 -2.668 -0.076 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -3.398 -3.282 1.499 1.00 0.00 C ATOM 0 H LEU A 64 -4.121 -5.696 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.101 -4.544 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.159 -3.805 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.023 -2.505 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.312 -4.608 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.818 -2.727 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.991 -2.976 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.857 -1.642 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.673 -3.328 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.832 -2.283 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.187 -4.013 1.675 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.058 -3.347 -0.593 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.305 -2.739 -1.025 1.00 0.00 C ATOM 1040 C TYR A 65 -8.572 -1.438 -0.265 1.00 0.00 C ATOM 1041 O TYR A 65 -8.620 -1.431 0.964 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.405 -3.747 -0.687 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.287 -5.073 -1.443 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.454 -5.103 -2.812 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.013 -6.237 -0.755 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.344 -6.351 -3.523 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -8.902 -7.484 -1.466 1.00 0.00 C ATOM 1048 CZ TYR A 65 -9.073 -7.480 -2.815 1.00 0.00 C ATOM 1049 OH TYR A 65 -8.968 -8.658 -3.487 1.00 0.00 O ATOM 0 H TYR A 65 -6.923 -3.371 0.418 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.268 -2.501 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.383 -3.948 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.374 -3.300 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.667 -4.191 -3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.882 -6.213 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.474 -6.389 -4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.688 -8.402 -0.940 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.771 -9.379 -2.854 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.738 -0.368 -1.028 1.00 0.00 N ATOM 1060 CA PHE A 66 -8.998 0.936 -0.442 1.00 0.00 C ATOM 1061 C PHE A 66 -10.295 1.534 -0.991 1.00 0.00 C ATOM 1062 O PHE A 66 -10.666 1.278 -2.136 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.828 1.843 -0.830 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.522 1.517 -0.104 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.347 1.904 1.188 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.534 0.841 -0.751 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -5.134 1.602 1.862 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.322 0.539 -0.077 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.147 0.926 1.216 1.00 0.00 C ATOM 0 H PHE A 66 -8.698 -0.377 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.100 0.844 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.663 1.767 -1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.099 2.878 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.131 2.441 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.672 0.534 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.996 1.909 2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.538 0.002 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.225 0.696 1.729 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.950 2.320 -0.149 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.198 2.957 -0.535 1.00 0.00 C ATOM 1081 C HIS A 67 -12.307 4.325 0.141 1.00 0.00 C ATOM 1082 O HIS A 67 -12.438 4.409 1.361 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.389 2.047 -0.229 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.715 2.592 -0.702 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -15.161 3.863 -0.382 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.687 2.027 -1.475 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.348 4.043 -0.942 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.673 2.904 -1.618 1.00 0.00 N ATOM 0 H HIS A 67 -10.640 2.530 0.800 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.209 3.122 -1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.220 1.076 -0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.439 1.881 0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.659 1.034 -1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.952 4.935 -0.875 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.532 2.751 -2.146 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.249 5.362 -0.681 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.339 6.722 -0.177 1.00 0.00 C ATOM 1098 C VAL A 68 -13.235 7.546 -1.104 1.00 0.00 C ATOM 1099 O VAL A 68 -12.904 7.754 -2.270 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.938 7.315 -0.017 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -9.983 6.757 -1.074 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -10.981 8.844 -0.069 1.00 0.00 C ATOM 0 H VAL A 68 -12.141 5.288 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.796 6.733 0.812 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.560 7.024 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.994 7.195 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.918 5.674 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.356 7.004 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.972 9.241 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.389 9.164 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.613 9.218 0.737 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.383 8.004 -0.536 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.329 8.801 -1.298 1.00 0.00 C ATOM 1114 C PRO A 69 -14.813 10.228 -1.492 1.00 0.00 C ATOM 1115 O PRO A 69 -14.595 10.665 -2.621 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.624 8.740 -0.505 1.00 0.00 C ATOM 1117 CG PRO A 69 -16.233 8.303 0.898 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.808 7.778 0.842 1.00 0.00 C ATOM 0 HA PRO A 69 -15.479 8.423 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.118 9.712 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.324 8.035 -0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -16.304 9.140 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -16.911 7.530 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.164 8.305 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.765 6.720 1.101 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.634 10.915 -0.373 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.149 12.284 -0.406 1.00 0.00 C ATOM 1128 C ASP A 70 -13.073 12.414 -1.486 1.00 0.00 C ATOM 1129 O ASP A 70 -12.899 13.484 -2.068 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.523 12.679 0.934 1.00 0.00 C ATOM 1131 CG ASP A 70 -13.548 14.177 1.243 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -14.356 14.877 0.595 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -12.759 14.588 2.121 1.00 0.00 O ATOM 0 H ASP A 70 -14.816 10.549 0.562 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.997 12.937 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.045 12.150 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.488 12.337 0.949 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.380 11.310 -1.721 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.326 11.287 -2.722 1.00 0.00 C ATOM 1140 C GLU A 71 -10.225 12.284 -2.356 1.00 0.00 C ATOM 1141 O GLU A 71 -9.785 13.064 -3.199 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.887 11.575 -4.116 1.00 0.00 C ATOM 1143 CG GLU A 71 -12.217 10.276 -4.854 1.00 0.00 C ATOM 1144 CD GLU A 71 -12.821 10.566 -6.229 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -13.932 11.139 -6.253 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -12.158 10.207 -7.227 1.00 0.00 O ATOM 0 H GLU A 71 -12.527 10.425 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.892 10.287 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.785 12.187 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.162 12.150 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.312 9.679 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.916 9.685 -4.263 1.00 0.00 H new ATOM 1153 N ALA A 72 -9.813 12.227 -1.099 1.00 0.00 N ATOM 1154 CA ALA A 72 -8.772 13.116 -0.611 1.00 0.00 C ATOM 1155 C ALA A 72 -7.410 12.613 -1.095 1.00 0.00 C ATOM 1156 O ALA A 72 -7.076 11.443 -0.914 1.00 0.00 O ATOM 1157 CB ALA A 72 -8.851 13.208 0.914 1.00 0.00 C ATOM 0 H ALA A 72 -10.181 11.579 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.912 14.123 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.070 13.875 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.826 13.598 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.713 12.217 1.346 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.641 13.546 -1.718 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.323 13.210 -2.229 1.00 0.00 C ATOM 1165 C PRO A 73 -4.309 13.083 -1.090 1.00 0.00 C ATOM 1166 O PRO A 73 -3.166 12.687 -1.313 1.00 0.00 O ATOM 1167 CB PRO A 73 -4.984 14.324 -3.206 1.00 0.00 C ATOM 1168 CG PRO A 73 -5.911 15.478 -2.860 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.004 14.941 -1.951 1.00 0.00 C ATOM 0 HA PRO A 73 -5.299 12.241 -2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.939 14.621 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.132 13.999 -4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.359 16.276 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.343 15.905 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.051 15.499 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.984 15.022 -2.420 1.00 0.00 H new ATOM 1177 N THR A 74 -4.764 13.427 0.106 1.00 0.00 N ATOM 1178 CA THR A 74 -3.911 13.357 1.280 1.00 0.00 C ATOM 1179 C THR A 74 -4.071 12.004 1.975 1.00 0.00 C ATOM 1180 O THR A 74 -3.118 11.480 2.550 1.00 0.00 O ATOM 1181 CB THR A 74 -4.248 14.547 2.180 1.00 0.00 C ATOM 1182 OG1 THR A 74 -5.672 14.587 2.185 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.840 15.885 1.560 1.00 0.00 C ATOM 0 H THR A 74 -5.713 13.755 0.287 1.00 0.00 H new ATOM 0 HA THR A 74 -2.857 13.425 1.009 1.00 0.00 H new ATOM 0 HB THR A 74 -3.750 14.426 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.976 15.330 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.102 16.696 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.764 15.892 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.363 16.022 0.614 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.284 11.476 1.901 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.582 10.194 2.516 1.00 0.00 C ATOM 1193 C VAL A 75 -5.369 9.079 1.490 1.00 0.00 C ATOM 1194 O VAL A 75 -4.760 8.055 1.798 1.00 0.00 O ATOM 1195 CB VAL A 75 -6.997 10.208 3.098 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -7.478 8.789 3.404 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -7.067 11.092 4.345 1.00 0.00 C ATOM 0 H VAL A 75 -6.072 11.913 1.424 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.905 10.004 3.349 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.664 10.633 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.486 8.828 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.484 8.201 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.807 8.326 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.083 11.085 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.382 10.709 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.786 12.112 4.084 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.882 9.315 0.292 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.756 8.343 -0.781 1.00 0.00 C ATOM 1209 C LYS A 76 -4.275 8.144 -1.112 1.00 0.00 C ATOM 1210 O LYS A 76 -3.827 7.017 -1.314 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.604 8.761 -1.984 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.202 7.538 -2.684 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.381 7.938 -3.573 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.598 6.914 -4.689 1.00 0.00 C ATOM 1215 NZ LYS A 76 -10.043 6.659 -4.885 1.00 0.00 N ATOM 0 H LYS A 76 -6.386 10.165 0.040 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.146 7.375 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.404 9.425 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.991 9.324 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.437 7.049 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.532 6.814 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.285 8.020 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.197 8.921 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.158 7.280 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.089 5.983 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.181 6.083 -5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.421 6.150 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.544 7.564 -4.993 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.557 9.257 -1.156 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.136 9.219 -1.458 1.00 0.00 C ATOM 1231 C ALA A 77 -1.502 8.017 -0.755 1.00 0.00 C ATOM 1232 O ALA A 77 -1.058 7.075 -1.409 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.491 10.544 -1.045 1.00 0.00 C ATOM 0 H ALA A 77 -3.933 10.190 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.974 9.098 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.425 10.516 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.957 11.362 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.631 10.699 0.025 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.479 8.090 0.568 1.00 0.00 N ATOM 1240 CA PHE A 78 -0.906 7.020 1.366 1.00 0.00 C ATOM 1241 C PHE A 78 -1.343 5.651 0.843 1.00 0.00 C ATOM 1242 O PHE A 78 -0.521 4.747 0.695 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.429 7.198 2.793 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.479 6.677 3.874 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.815 7.095 3.901 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -0.928 5.795 4.806 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.696 6.612 4.904 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.046 5.311 5.809 1.00 0.00 C ATOM 1249 CZ PHE A 78 1.247 5.730 5.837 1.00 0.00 C ATOM 0 H PHE A 78 -1.848 8.874 1.107 1.00 0.00 H new ATOM 0 HA PHE A 78 0.182 7.065 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.619 8.257 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.385 6.683 2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.172 7.794 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.955 5.462 4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.723 6.945 4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.403 4.610 6.549 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.917 5.363 6.600 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.636 5.540 0.576 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.192 4.296 0.072 1.00 0.00 C ATOM 1261 C ALA A 79 -2.311 3.771 -1.063 1.00 0.00 C ATOM 1262 O ALA A 79 -1.831 2.640 -1.010 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.639 4.525 -0.371 1.00 0.00 C ATOM 0 H ALA A 79 -3.315 6.291 0.699 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.207 3.538 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.056 3.592 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.230 4.868 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.664 5.278 -1.158 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.125 4.618 -2.065 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.309 4.254 -3.211 1.00 0.00 C ATOM 1271 C GLY A 80 0.112 3.890 -2.779 1.00 0.00 C ATOM 1272 O GLY A 80 0.701 2.945 -3.302 1.00 0.00 O ATOM 0 H GLY A 80 -2.525 5.555 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.762 3.410 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.277 5.084 -3.917 1.00 0.00 H new ATOM 1276 N LEU A 81 0.623 4.658 -1.829 1.00 0.00 N ATOM 1277 CA LEU A 81 1.965 4.428 -1.321 1.00 0.00 C ATOM 1278 C LEU A 81 2.035 3.035 -0.692 1.00 0.00 C ATOM 1279 O LEU A 81 3.011 2.311 -0.886 1.00 0.00 O ATOM 1280 CB LEU A 81 2.378 5.553 -0.369 1.00 0.00 C ATOM 1281 CG LEU A 81 3.821 5.506 0.138 1.00 0.00 C ATOM 1282 CD1 LEU A 81 4.147 6.743 0.978 1.00 0.00 C ATOM 1283 CD2 LEU A 81 4.092 4.208 0.901 1.00 0.00 C ATOM 0 H LEU A 81 0.132 5.441 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 81 2.689 4.448 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.222 6.506 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.710 5.537 0.492 1.00 0.00 H new ATOM 0 HG LEU A 81 4.487 5.517 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.178 6.685 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.019 7.639 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.476 6.787 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.124 4.200 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.419 4.141 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.926 3.357 0.241 1.00 0.00 H new ATOM 1295 N LEU A 82 0.988 2.700 0.047 1.00 0.00 N ATOM 1296 CA LEU A 82 0.919 1.407 0.705 1.00 0.00 C ATOM 1297 C LEU A 82 0.913 0.301 -0.353 1.00 0.00 C ATOM 1298 O LEU A 82 1.783 -0.568 -0.352 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.277 1.353 1.657 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.285 2.389 2.784 1.00 0.00 C ATOM 1301 CD1 LEU A 82 -1.649 2.437 3.475 1.00 0.00 C ATOM 1302 CD2 LEU A 82 0.851 2.129 3.775 1.00 0.00 C ATOM 0 H LEU A 82 0.180 3.302 0.205 1.00 0.00 H new ATOM 0 HA LEU A 82 1.800 1.249 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.188 1.475 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.316 0.359 2.103 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.112 3.372 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.627 3.181 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.416 2.706 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.877 1.459 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.823 2.879 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.733 1.137 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.807 2.186 3.255 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.078 0.370 -1.229 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.209 -0.614 -2.290 1.00 0.00 C ATOM 1316 C ARG A 83 0.984 -0.526 -3.245 1.00 0.00 C ATOM 1317 O ARG A 83 1.308 -1.496 -3.929 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.502 -0.404 -3.080 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.206 0.090 -4.497 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.496 0.477 -5.224 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.358 0.214 -6.674 1.00 0.00 N ATOM 1322 CZ ARG A 83 -2.537 -0.988 -7.239 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.863 -2.044 -6.481 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -2.391 -1.134 -8.563 1.00 0.00 N ATOM 0 H ARG A 83 -0.798 1.092 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.236 -1.600 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.060 -1.339 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.134 0.319 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.537 0.949 -4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.689 -0.689 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.335 -0.091 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.715 1.531 -5.056 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.111 0.996 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.975 -1.933 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.999 -2.958 -6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.144 -0.330 -9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.527 -2.049 -8.993 1.00 0.00 H new ATOM 1338 N GLU A 84 1.603 0.645 -3.262 1.00 0.00 N ATOM 1339 CA GLU A 84 2.752 0.872 -4.121 1.00 0.00 C ATOM 1340 C GLU A 84 3.826 -0.188 -3.863 1.00 0.00 C ATOM 1341 O GLU A 84 4.513 -0.618 -4.788 1.00 0.00 O ATOM 1342 CB GLU A 84 3.314 2.281 -3.925 1.00 0.00 C ATOM 1343 CG GLU A 84 2.938 3.190 -5.097 1.00 0.00 C ATOM 1344 CD GLU A 84 3.342 2.558 -6.432 1.00 0.00 C ATOM 1345 OE1 GLU A 84 4.553 2.602 -6.736 1.00 0.00 O ATOM 1346 OE2 GLU A 84 2.429 2.047 -7.116 1.00 0.00 O ATOM 0 H GLU A 84 1.330 1.447 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 84 2.427 0.787 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.931 2.703 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.399 2.234 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.864 3.375 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.429 4.157 -4.985 1.00 0.00 H new ATOM 1353 N GLY A 85 3.936 -0.577 -2.602 1.00 0.00 N ATOM 1354 CA GLY A 85 4.914 -1.578 -2.211 1.00 0.00 C ATOM 1355 C GLY A 85 4.336 -2.528 -1.160 1.00 0.00 C ATOM 1356 O GLY A 85 4.955 -2.765 -0.124 1.00 0.00 O ATOM 0 H GLY A 85 3.364 -0.217 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.228 -2.146 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.803 -1.088 -1.814 1.00 0.00 H new ATOM 1360 N LEU A 86 3.155 -3.047 -1.464 1.00 0.00 N ATOM 1361 CA LEU A 86 2.486 -3.967 -0.559 1.00 0.00 C ATOM 1362 C LEU A 86 1.518 -4.844 -1.354 1.00 0.00 C ATOM 1363 O LEU A 86 1.471 -6.058 -1.158 1.00 0.00 O ATOM 1364 CB LEU A 86 1.823 -3.202 0.588 1.00 0.00 C ATOM 1365 CG LEU A 86 2.752 -2.337 1.443 1.00 0.00 C ATOM 1366 CD1 LEU A 86 1.950 -1.461 2.409 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.785 -3.197 2.172 1.00 0.00 C ATOM 0 H LEU A 86 2.644 -2.848 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 86 3.209 -4.634 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.046 -2.562 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.327 -3.922 1.240 1.00 0.00 H new ATOM 0 HG LEU A 86 3.301 -1.667 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.634 -0.856 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.287 -0.807 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.357 -2.095 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.432 -2.558 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.274 -3.908 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.386 -3.740 1.443 1.00 0.00 H new ATOM 1379 N GLU A 87 0.769 -4.196 -2.234 1.00 0.00 N ATOM 1380 CA GLU A 87 -0.196 -4.903 -3.060 1.00 0.00 C ATOM 1381 C GLU A 87 0.504 -5.980 -3.891 1.00 0.00 C ATOM 1382 O GLU A 87 1.307 -5.667 -4.769 1.00 0.00 O ATOM 1383 CB GLU A 87 -0.965 -3.931 -3.957 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.878 -4.685 -4.926 1.00 0.00 C ATOM 1385 CD GLU A 87 -1.091 -5.202 -6.132 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -0.567 -4.346 -6.877 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -1.030 -6.442 -6.281 1.00 0.00 O ATOM 0 H GLU A 87 0.811 -3.189 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.918 -5.390 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.560 -3.256 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.262 -3.315 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.350 -5.521 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.678 -4.026 -5.265 1.00 0.00 H new ATOM 1394 N GLY A 88 0.175 -7.226 -3.584 1.00 0.00 N ATOM 1395 CA GLY A 88 0.762 -8.351 -4.291 1.00 0.00 C ATOM 1396 C GLY A 88 1.845 -9.025 -3.446 1.00 0.00 C ATOM 1397 O GLY A 88 2.230 -10.162 -3.716 1.00 0.00 O ATOM 0 H GLY A 88 -0.491 -7.481 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.014 -9.075 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.191 -8.009 -5.233 1.00 0.00 H new ATOM 1401 N GLU A 89 2.305 -8.296 -2.440 1.00 0.00 N ATOM 1402 CA GLU A 89 3.336 -8.810 -1.554 1.00 0.00 C ATOM 1403 C GLU A 89 2.783 -9.957 -0.706 1.00 0.00 C ATOM 1404 O GLU A 89 1.700 -10.471 -0.981 1.00 0.00 O ATOM 1405 CB GLU A 89 3.902 -7.698 -0.669 1.00 0.00 C ATOM 1406 CG GLU A 89 4.461 -6.554 -1.517 1.00 0.00 C ATOM 1407 CD GLU A 89 5.695 -7.005 -2.301 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.709 -7.310 -1.637 1.00 0.00 O ATOM 1409 OE2 GLU A 89 5.597 -7.035 -3.547 1.00 0.00 O ATOM 0 H GLU A 89 1.983 -7.354 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 89 4.153 -9.196 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.120 -7.319 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.689 -8.101 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.696 -6.201 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.722 -5.713 -0.874 1.00 0.00 H new ATOM 1416 N SER A 90 3.552 -10.325 0.309 1.00 0.00 N ATOM 1417 CA SER A 90 3.153 -11.402 1.199 1.00 0.00 C ATOM 1418 C SER A 90 2.539 -10.825 2.476 1.00 0.00 C ATOM 1419 O SER A 90 2.788 -9.671 2.822 1.00 0.00 O ATOM 1420 CB SER A 90 4.341 -12.303 1.541 1.00 0.00 C ATOM 1421 OG SER A 90 5.561 -11.570 1.620 1.00 0.00 O ATOM 0 H SER A 90 4.450 -9.896 0.535 1.00 0.00 H new ATOM 0 HA SER A 90 2.407 -12.010 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.156 -12.802 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.435 -13.082 0.785 1.00 0.00 H new ATOM 0 HG SER A 90 6.295 -12.180 1.842 1.00 0.00 H new ATOM 1427 N PRO A 91 1.727 -11.676 3.159 1.00 0.00 N ATOM 1428 CA PRO A 91 1.076 -11.262 4.390 1.00 0.00 C ATOM 1429 C PRO A 91 2.071 -11.225 5.551 1.00 0.00 C ATOM 1430 O PRO A 91 1.748 -10.745 6.636 1.00 0.00 O ATOM 1431 CB PRO A 91 -0.044 -12.268 4.600 1.00 0.00 C ATOM 1432 CG PRO A 91 0.309 -13.470 3.739 1.00 0.00 C ATOM 1433 CD PRO A 91 1.409 -13.049 2.778 1.00 0.00 C ATOM 0 HA PRO A 91 0.679 -10.249 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.124 -12.550 5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.006 -11.848 4.308 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.643 -14.300 4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.566 -13.816 3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.281 -13.697 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.073 -13.105 1.742 1.00 0.00 H new ATOM 1441 N GLU A 92 3.263 -11.739 5.283 1.00 0.00 N ATOM 1442 CA GLU A 92 4.308 -11.770 6.293 1.00 0.00 C ATOM 1443 C GLU A 92 5.196 -10.530 6.176 1.00 0.00 C ATOM 1444 O GLU A 92 5.707 -10.031 7.178 1.00 0.00 O ATOM 1445 CB GLU A 92 5.138 -13.051 6.183 1.00 0.00 C ATOM 1446 CG GLU A 92 4.235 -14.284 6.104 1.00 0.00 C ATOM 1447 CD GLU A 92 4.436 -15.189 7.321 1.00 0.00 C ATOM 1448 OE1 GLU A 92 5.602 -15.569 7.560 1.00 0.00 O ATOM 1449 OE2 GLU A 92 3.418 -15.480 7.986 1.00 0.00 O ATOM 0 H GLU A 92 3.528 -12.137 4.382 1.00 0.00 H new ATOM 0 HA GLU A 92 3.837 -11.764 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.772 -13.003 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.800 -13.135 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.192 -13.972 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.452 -14.841 5.192 1.00 0.00 H new ATOM 1456 N ALA A 93 5.353 -10.067 4.944 1.00 0.00 N ATOM 1457 CA ALA A 93 6.171 -8.894 4.684 1.00 0.00 C ATOM 1458 C ALA A 93 5.363 -7.634 5.002 1.00 0.00 C ATOM 1459 O ALA A 93 5.914 -6.644 5.480 1.00 0.00 O ATOM 1460 CB ALA A 93 6.659 -8.924 3.234 1.00 0.00 C ATOM 0 H ALA A 93 4.928 -10.483 4.115 1.00 0.00 H new ATOM 0 HA ALA A 93 7.053 -8.890 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.273 -8.045 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.251 -9.824 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.801 -8.925 2.561 1.00 0.00 H new ATOM 1466 N VAL A 94 4.070 -7.713 4.724 1.00 0.00 N ATOM 1467 CA VAL A 94 3.181 -6.591 4.974 1.00 0.00 C ATOM 1468 C VAL A 94 3.023 -6.398 6.484 1.00 0.00 C ATOM 1469 O VAL A 94 2.747 -5.293 6.946 1.00 0.00 O ATOM 1470 CB VAL A 94 1.848 -6.809 4.256 1.00 0.00 C ATOM 1471 CG1 VAL A 94 0.820 -5.758 4.678 1.00 0.00 C ATOM 1472 CG2 VAL A 94 2.037 -6.813 2.738 1.00 0.00 C ATOM 0 H VAL A 94 3.617 -8.536 4.328 1.00 0.00 H new ATOM 0 HA VAL A 94 3.604 -5.671 4.571 1.00 0.00 H new ATOM 0 HB VAL A 94 1.466 -7.787 4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.119 -5.936 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.653 -5.824 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.192 -4.764 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.074 -6.970 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.452 -5.857 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.720 -7.616 2.458 1.00 0.00 H new ATOM 1482 N LEU A 95 3.203 -7.492 7.210 1.00 0.00 N ATOM 1483 CA LEU A 95 3.084 -7.457 8.657 1.00 0.00 C ATOM 1484 C LEU A 95 4.399 -6.961 9.262 1.00 0.00 C ATOM 1485 O LEU A 95 4.398 -6.287 10.291 1.00 0.00 O ATOM 1486 CB LEU A 95 2.638 -8.820 9.191 1.00 0.00 C ATOM 1487 CG LEU A 95 1.128 -9.026 9.325 1.00 0.00 C ATOM 1488 CD1 LEU A 95 0.794 -10.501 9.558 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.546 -8.128 10.418 1.00 0.00 C ATOM 0 H LEU A 95 3.430 -8.408 6.823 1.00 0.00 H new ATOM 0 HA LEU A 95 2.309 -6.752 8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.033 -9.593 8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.094 -8.972 10.170 1.00 0.00 H new ATOM 0 HG LEU A 95 0.660 -8.734 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.286 -10.619 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.154 -11.093 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.276 -10.843 10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.529 -8.295 10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.016 -8.365 11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.735 -7.084 10.170 1.00 0.00 H new ATOM 1501 N GLU A 96 5.489 -7.313 8.596 1.00 0.00 N ATOM 1502 CA GLU A 96 6.808 -6.911 9.055 1.00 0.00 C ATOM 1503 C GLU A 96 6.995 -5.403 8.879 1.00 0.00 C ATOM 1504 O GLU A 96 8.008 -4.846 9.299 1.00 0.00 O ATOM 1505 CB GLU A 96 7.903 -7.688 8.322 1.00 0.00 C ATOM 1506 CG GLU A 96 7.895 -9.163 8.728 1.00 0.00 C ATOM 1507 CD GLU A 96 9.059 -9.480 9.669 1.00 0.00 C ATOM 1508 OE1 GLU A 96 8.974 -9.053 10.841 1.00 0.00 O ATOM 1509 OE2 GLU A 96 10.008 -10.141 9.195 1.00 0.00 O ATOM 0 H GLU A 96 5.486 -7.872 7.743 1.00 0.00 H new ATOM 0 HA GLU A 96 6.889 -7.146 10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.756 -7.603 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.876 -7.251 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.951 -9.404 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.961 -9.789 7.838 1.00 0.00 H new ATOM 1516 N VAL A 97 6.002 -4.784 8.257 1.00 0.00 N ATOM 1517 CA VAL A 97 6.044 -3.351 8.021 1.00 0.00 C ATOM 1518 C VAL A 97 5.632 -2.616 9.298 1.00 0.00 C ATOM 1519 O VAL A 97 4.581 -2.899 9.870 1.00 0.00 O ATOM 1520 CB VAL A 97 5.170 -2.994 6.817 1.00 0.00 C ATOM 1521 CG1 VAL A 97 5.056 -1.477 6.653 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.704 -3.644 5.539 1.00 0.00 C ATOM 0 H VAL A 97 5.163 -5.249 7.909 1.00 0.00 H new ATOM 0 HA VAL A 97 7.057 -3.033 7.776 1.00 0.00 H new ATOM 0 HB VAL A 97 4.170 -3.388 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.430 -1.250 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.609 -1.047 7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.048 -1.052 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.064 -3.374 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.719 -3.294 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.710 -4.728 5.657 1.00 0.00 H new ATOM 1532 N PRO A 98 6.504 -1.661 9.718 1.00 0.00 N ATOM 1533 CA PRO A 98 6.242 -0.882 10.916 1.00 0.00 C ATOM 1534 C PRO A 98 5.160 0.169 10.661 1.00 0.00 C ATOM 1535 O PRO A 98 4.905 0.537 9.516 1.00 0.00 O ATOM 1536 CB PRO A 98 7.584 -0.275 11.292 1.00 0.00 C ATOM 1537 CG PRO A 98 8.442 -0.354 10.041 1.00 0.00 C ATOM 1538 CD PRO A 98 7.759 -1.298 9.065 1.00 0.00 C ATOM 0 HA PRO A 98 5.851 -1.487 11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.467 0.758 11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 98 8.043 -0.822 12.116 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.560 0.634 9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.441 -0.715 10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.580 -0.814 8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.373 -2.177 8.869 1.00 0.00 H new ATOM 1546 N PRO A 99 4.537 0.634 11.777 1.00 0.00 N ATOM 1547 CA PRO A 99 3.488 1.636 11.686 1.00 0.00 C ATOM 1548 C PRO A 99 4.075 3.019 11.394 1.00 0.00 C ATOM 1549 O PRO A 99 3.339 3.999 11.289 1.00 0.00 O ATOM 1550 CB PRO A 99 2.762 1.568 13.019 1.00 0.00 C ATOM 1551 CG PRO A 99 3.712 0.866 13.976 1.00 0.00 C ATOM 1552 CD PRO A 99 4.813 0.221 13.150 1.00 0.00 C ATOM 0 HA PRO A 99 2.798 1.450 10.863 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.512 2.566 13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.825 1.019 12.926 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.134 1.578 14.685 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.180 0.113 14.558 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.799 0.556 13.474 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.797 -0.864 13.248 1.00 0.00 H new ATOM 1560 N GLY A 100 5.394 3.053 11.273 1.00 0.00 N ATOM 1561 CA GLY A 100 6.087 4.300 10.996 1.00 0.00 C ATOM 1562 C GLY A 100 7.105 4.122 9.868 1.00 0.00 C ATOM 1563 O GLY A 100 8.078 4.869 9.781 1.00 0.00 O ATOM 0 H GLY A 100 6.001 2.238 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.365 5.068 10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.594 4.647 11.897 1.00 0.00 H new ATOM 1567 N PHE A 101 6.846 3.127 9.031 1.00 0.00 N ATOM 1568 CA PHE A 101 7.727 2.842 7.912 1.00 0.00 C ATOM 1569 C PHE A 101 7.944 4.089 7.052 1.00 0.00 C ATOM 1570 O PHE A 101 8.987 4.236 6.418 1.00 0.00 O ATOM 1571 CB PHE A 101 7.042 1.766 7.066 1.00 0.00 C ATOM 1572 CG PHE A 101 5.819 2.266 6.296 1.00 0.00 C ATOM 1573 CD1 PHE A 101 5.976 3.126 5.254 1.00 0.00 C ATOM 1574 CD2 PHE A 101 4.574 1.850 6.652 1.00 0.00 C ATOM 1575 CE1 PHE A 101 4.840 3.590 4.539 1.00 0.00 C ATOM 1576 CE2 PHE A 101 3.438 2.314 5.937 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.595 3.174 4.896 1.00 0.00 C ATOM 0 H PHE A 101 6.038 2.509 9.106 1.00 0.00 H new ATOM 0 HA PHE A 101 8.699 2.514 8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.764 1.361 6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.739 0.945 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.964 3.456 4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.449 1.166 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.965 4.273 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.450 1.984 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.731 3.527 4.352 1.00 0.00 H new ATOM 1587 N TYR A 102 6.940 4.954 7.058 1.00 0.00 N ATOM 1588 CA TYR A 102 7.008 6.183 6.287 1.00 0.00 C ATOM 1589 C TYR A 102 7.882 7.224 6.989 1.00 0.00 C ATOM 1590 O TYR A 102 8.492 8.070 6.336 1.00 0.00 O ATOM 1591 CB TYR A 102 5.573 6.710 6.206 1.00 0.00 C ATOM 1592 CG TYR A 102 4.996 7.151 7.553 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.322 8.388 8.072 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.150 6.312 8.249 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.778 8.803 9.339 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.607 6.726 9.516 1.00 0.00 C ATOM 1597 CZ TYR A 102 3.948 7.952 9.999 1.00 0.00 C ATOM 1598 OH TYR A 102 3.435 8.343 11.196 1.00 0.00 O ATOM 0 H TYR A 102 6.076 4.828 7.584 1.00 0.00 H new ATOM 0 HA TYR A 102 7.441 5.996 5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.545 7.554 5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.935 5.933 5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.985 9.044 7.528 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.895 5.344 7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.024 9.769 9.756 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.944 6.079 10.071 1.00 0.00 H new ATOM 0 HH TYR A 102 2.476 8.521 11.099 1.00 0.00 H new ATOM 1608 N ARG A 103 7.915 7.128 8.310 1.00 0.00 N ATOM 1609 CA ARG A 103 8.705 8.051 9.108 1.00 0.00 C ATOM 1610 C ARG A 103 10.111 8.190 8.522 1.00 0.00 C ATOM 1611 O ARG A 103 10.786 7.192 8.276 1.00 0.00 O ATOM 1612 CB ARG A 103 8.809 7.575 10.558 1.00 0.00 C ATOM 1613 CG ARG A 103 7.445 7.621 11.250 1.00 0.00 C ATOM 1614 CD ARG A 103 7.571 8.163 12.675 1.00 0.00 C ATOM 1615 NE ARG A 103 7.193 9.594 12.708 1.00 0.00 N ATOM 1616 CZ ARG A 103 7.276 10.368 13.798 1.00 0.00 C ATOM 1617 NH1 ARG A 103 7.724 9.854 14.952 1.00 0.00 N ATOM 1618 NH2 ARG A 103 6.911 11.656 13.735 1.00 0.00 N ATOM 0 H ARG A 103 7.408 6.425 8.848 1.00 0.00 H new ATOM 0 HA ARG A 103 8.203 9.018 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.199 6.558 10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.517 8.202 11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.764 8.250 10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.012 6.621 11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.930 7.593 13.348 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.594 8.040 13.030 1.00 0.00 H new ATOM 0 HE ARG A 103 6.848 10.017 11.847 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.002 8.874 15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.787 10.443 15.782 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.570 12.047 12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.974 12.245 14.565 1.00 0.00 H new ATOM 1632 N GLY A 104 10.510 9.436 8.315 1.00 0.00 N ATOM 1633 CA GLY A 104 11.824 9.719 7.762 1.00 0.00 C ATOM 1634 C GLY A 104 11.885 9.354 6.278 1.00 0.00 C ATOM 1635 O GLY A 104 12.443 8.321 5.911 1.00 0.00 O ATOM 0 H GLY A 104 9.947 10.261 8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.056 10.776 7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.581 9.158 8.309 1.00 0.00 H new ATOM 1639 N TYR A 105 11.302 10.222 5.463 1.00 0.00 N ATOM 1640 CA TYR A 105 11.283 10.003 4.027 1.00 0.00 C ATOM 1641 C TYR A 105 10.708 11.218 3.296 1.00 0.00 C ATOM 1642 O TYR A 105 11.267 11.667 2.296 1.00 0.00 O ATOM 1643 CB TYR A 105 10.364 8.802 3.795 1.00 0.00 C ATOM 1644 CG TYR A 105 11.087 7.454 3.811 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.101 7.204 2.909 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.726 6.487 4.728 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.781 5.935 2.923 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.406 5.218 4.743 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.400 5.005 3.840 1.00 0.00 C ATOM 1650 OH TYR A 105 13.043 3.806 3.854 1.00 0.00 O ATOM 0 H TYR A 105 10.840 11.078 5.770 1.00 0.00 H new ATOM 0 HA TYR A 105 12.292 9.836 3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.589 8.797 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.861 8.922 2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.385 7.961 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.933 6.683 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.575 5.726 2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 105 11.133 4.453 5.455 1.00 0.00 H new ATOM 0 HH TYR A 105 12.667 3.241 4.561 1.00 0.00 H new ATOM 1660 N GLY A 106 9.599 11.716 3.822 1.00 0.00 N ATOM 1661 CA GLY A 106 8.943 12.870 3.232 1.00 0.00 C ATOM 1662 C GLY A 106 7.448 12.876 3.557 1.00 0.00 C ATOM 1663 O GLY A 106 6.862 13.935 3.780 1.00 0.00 O ATOM 0 H GLY A 106 9.138 11.341 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.404 13.785 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.084 12.860 2.151 1.00 0.00 H new ATOM 1667 N LEU A 107 6.873 11.682 3.574 1.00 0.00 N ATOM 1668 CA LEU A 107 5.458 11.537 3.869 1.00 0.00 C ATOM 1669 C LEU A 107 5.073 12.504 4.991 1.00 0.00 C ATOM 1670 O LEU A 107 4.147 13.300 4.839 1.00 0.00 O ATOM 1671 CB LEU A 107 5.121 10.076 4.173 1.00 0.00 C ATOM 1672 CG LEU A 107 5.783 9.033 3.271 1.00 0.00 C ATOM 1673 CD1 LEU A 107 5.945 9.565 1.846 1.00 0.00 C ATOM 1674 CD2 LEU A 107 7.113 8.562 3.862 1.00 0.00 C ATOM 0 H LEU A 107 7.362 10.806 3.388 1.00 0.00 H new ATOM 0 HA LEU A 107 4.858 11.804 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.403 9.866 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.040 9.952 4.106 1.00 0.00 H new ATOM 0 HG LEU A 107 5.129 8.163 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.418 8.804 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.965 9.811 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.567 10.460 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.563 7.821 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.787 9.413 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.939 8.116 4.841 1.00 0.00 H new ATOM 1686 N GLU A 108 5.803 12.402 6.092 1.00 0.00 N ATOM 1687 CA GLU A 108 5.549 13.258 7.239 1.00 0.00 C ATOM 1688 C GLU A 108 5.608 14.730 6.826 1.00 0.00 C ATOM 1689 O GLU A 108 4.664 15.483 7.062 1.00 0.00 O ATOM 1690 CB GLU A 108 6.537 12.965 8.370 1.00 0.00 C ATOM 1691 CG GLU A 108 6.118 13.673 9.660 1.00 0.00 C ATOM 1692 CD GLU A 108 7.124 14.761 10.040 1.00 0.00 C ATOM 1693 OE1 GLU A 108 8.333 14.441 10.041 1.00 0.00 O ATOM 1694 OE2 GLU A 108 6.662 15.888 10.321 1.00 0.00 O ATOM 0 H GLU A 108 6.570 11.740 6.214 1.00 0.00 H new ATOM 0 HA GLU A 108 4.547 13.046 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.591 11.890 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.536 13.292 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.130 14.115 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.040 12.947 10.469 1.00 0.00 H new ATOM 1701 N GLU A 109 6.727 15.097 6.218 1.00 0.00 N ATOM 1702 CA GLU A 109 6.921 16.465 5.771 1.00 0.00 C ATOM 1703 C GLU A 109 5.625 17.018 5.174 1.00 0.00 C ATOM 1704 O GLU A 109 5.193 18.114 5.528 1.00 0.00 O ATOM 1705 CB GLU A 109 8.070 16.555 4.764 1.00 0.00 C ATOM 1706 CG GLU A 109 9.423 16.406 5.462 1.00 0.00 C ATOM 1707 CD GLU A 109 10.356 17.565 5.104 1.00 0.00 C ATOM 1708 OE1 GLU A 109 10.674 17.687 3.902 1.00 0.00 O ATOM 1709 OE2 GLU A 109 10.729 18.303 6.042 1.00 0.00 O ATOM 0 H GLU A 109 7.508 14.470 6.025 1.00 0.00 H new ATOM 0 HA GLU A 109 7.189 17.074 6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 109 7.959 15.777 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 109 8.028 17.512 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 109 9.277 16.372 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.883 15.461 5.173 1.00 0.00 H new ATOM 1716 N PHE A 110 5.042 16.234 4.279 1.00 0.00 N ATOM 1717 CA PHE A 110 3.804 16.631 3.630 1.00 0.00 C ATOM 1718 C PHE A 110 2.600 16.369 4.538 1.00 0.00 C ATOM 1719 O PHE A 110 1.815 17.276 4.810 1.00 0.00 O ATOM 1720 CB PHE A 110 3.669 15.781 2.366 1.00 0.00 C ATOM 1721 CG PHE A 110 4.725 16.078 1.300 1.00 0.00 C ATOM 1722 CD1 PHE A 110 4.822 17.326 0.768 1.00 0.00 C ATOM 1723 CD2 PHE A 110 5.568 15.095 0.884 1.00 0.00 C ATOM 1724 CE1 PHE A 110 5.802 17.602 -0.222 1.00 0.00 C ATOM 1725 CE2 PHE A 110 6.548 15.371 -0.105 1.00 0.00 C ATOM 1726 CZ PHE A 110 6.645 16.619 -0.637 1.00 0.00 C ATOM 0 H PHE A 110 5.404 15.326 3.988 1.00 0.00 H new ATOM 0 HA PHE A 110 3.828 17.697 3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 110 3.731 14.728 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.680 15.941 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.154 18.107 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 110 5.492 14.104 1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.878 18.593 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 110 7.217 14.590 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.391 16.829 -1.389 1.00 0.00 H new ATOM 1736 N PHE A 111 2.494 15.126 4.981 1.00 0.00 N ATOM 1737 CA PHE A 111 1.399 14.733 5.852 1.00 0.00 C ATOM 1738 C PHE A 111 1.665 15.166 7.295 1.00 0.00 C ATOM 1739 O PHE A 111 2.527 14.604 7.968 1.00 0.00 O ATOM 1740 CB PHE A 111 1.311 13.206 5.799 1.00 0.00 C ATOM 1741 CG PHE A 111 1.064 12.646 4.397 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.077 12.964 3.729 1.00 0.00 C ATOM 1743 CD2 PHE A 111 1.986 11.830 3.819 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.306 12.444 2.427 1.00 0.00 C ATOM 1745 CE2 PHE A 111 1.757 11.310 2.517 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.616 11.628 1.849 1.00 0.00 C ATOM 0 H PHE A 111 3.148 14.377 4.754 1.00 0.00 H new ATOM 0 HA PHE A 111 0.474 15.206 5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.238 12.785 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.508 12.875 6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.809 13.612 4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.892 11.577 4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.212 12.697 1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.489 10.662 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.442 11.233 0.859 1.00 0.00 H new ATOM 1756 N THR A 112 0.907 16.163 7.729 1.00 0.00 N ATOM 1757 CA THR A 112 1.049 16.679 9.080 1.00 0.00 C ATOM 1758 C THR A 112 1.246 15.530 10.071 1.00 0.00 C ATOM 1759 O THR A 112 0.958 14.376 9.756 1.00 0.00 O ATOM 1760 CB THR A 112 -0.175 17.543 9.388 1.00 0.00 C ATOM 1761 OG1 THR A 112 -1.270 16.790 8.874 1.00 0.00 O ATOM 1762 CG2 THR A 112 -0.198 18.838 8.572 1.00 0.00 C ATOM 0 H THR A 112 0.192 16.627 7.168 1.00 0.00 H new ATOM 0 HA THR A 112 1.937 17.304 9.173 1.00 0.00 H new ATOM 0 HB THR A 112 -0.191 17.783 10.451 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.105 17.277 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.087 19.414 8.829 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.692 19.425 8.796 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.216 18.598 7.509 1.00 0.00 H new ATOM 1770 N PRO A 113 1.750 15.894 11.281 1.00 0.00 N ATOM 1771 CA PRO A 113 1.989 14.908 12.320 1.00 0.00 C ATOM 1772 C PRO A 113 0.675 14.459 12.963 1.00 0.00 C ATOM 1773 O PRO A 113 0.664 13.549 13.791 1.00 0.00 O ATOM 1774 CB PRO A 113 2.928 15.590 13.301 1.00 0.00 C ATOM 1775 CG PRO A 113 2.812 17.079 13.024 1.00 0.00 C ATOM 1776 CD PRO A 113 2.103 17.251 11.690 1.00 0.00 C ATOM 0 HA PRO A 113 2.435 13.991 11.935 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.650 15.362 14.330 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.953 15.246 13.164 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.254 17.573 13.819 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.799 17.540 12.994 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.217 17.878 11.790 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.751 17.730 10.956 1.00 0.00 H new ATOM 1784 N LEU A 114 -0.400 15.118 12.558 1.00 0.00 N ATOM 1785 CA LEU A 114 -1.716 14.799 13.084 1.00 0.00 C ATOM 1786 C LEU A 114 -2.385 13.762 12.180 1.00 0.00 C ATOM 1787 O LEU A 114 -2.659 12.643 12.611 1.00 0.00 O ATOM 1788 CB LEU A 114 -2.542 16.074 13.273 1.00 0.00 C ATOM 1789 CG LEU A 114 -2.497 16.702 14.667 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -3.233 15.830 15.685 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -1.056 16.988 15.093 1.00 0.00 C ATOM 0 H LEU A 114 -0.387 15.872 11.871 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.631 14.352 14.074 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.199 16.815 12.551 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.581 15.849 13.031 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.017 17.659 14.627 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.186 16.299 16.668 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.275 15.721 15.385 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.763 14.847 15.729 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.052 17.434 16.087 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.490 16.056 15.111 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.597 17.677 14.384 1.00 0.00 H new ATOM 1803 N ARG A 115 -2.626 14.170 10.943 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.257 13.289 9.974 1.00 0.00 C ATOM 1805 C ARG A 115 -2.518 11.952 9.912 1.00 0.00 C ATOM 1806 O ARG A 115 -3.137 10.903 9.736 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.270 13.922 8.582 1.00 0.00 C ATOM 1808 CG ARG A 115 -4.466 13.427 7.765 1.00 0.00 C ATOM 1809 CD ARG A 115 -4.826 14.422 6.661 1.00 0.00 C ATOM 1810 NE ARG A 115 -5.985 15.244 7.078 1.00 0.00 N ATOM 1811 CZ ARG A 115 -6.470 16.272 6.370 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -5.901 16.612 5.205 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -7.526 16.961 6.826 1.00 0.00 N ATOM 0 H ARG A 115 -2.396 15.099 10.589 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.285 13.124 10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.311 15.007 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.344 13.681 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.233 12.458 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.324 13.281 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.972 15.065 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.061 13.887 5.741 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.443 15.013 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.098 16.088 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.271 17.395 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.960 16.702 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.895 17.744 6.287 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.203 12.031 10.061 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.373 10.839 10.024 1.00 0.00 C ATOM 1829 C LEU A 116 -0.962 9.783 10.961 1.00 0.00 C ATOM 1830 O LEU A 116 -1.129 8.628 10.572 1.00 0.00 O ATOM 1831 CB LEU A 116 1.084 11.192 10.334 1.00 0.00 C ATOM 1832 CG LEU A 116 1.968 11.510 9.127 1.00 0.00 C ATOM 1833 CD1 LEU A 116 3.374 11.919 9.570 1.00 0.00 C ATOM 1834 CD2 LEU A 116 1.994 10.340 8.142 1.00 0.00 C ATOM 0 H LEU A 116 -0.693 12.902 10.207 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.368 10.409 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.094 12.052 11.003 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.531 10.360 10.878 1.00 0.00 H new ATOM 0 HG LEU A 116 1.536 12.362 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.982 12.140 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.313 12.805 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.830 11.104 10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.630 10.593 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.388 9.454 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.982 10.138 7.790 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.262 10.216 12.176 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.829 9.322 13.171 1.00 0.00 C ATOM 1848 C ARG A 117 -2.852 8.387 12.523 1.00 0.00 C ATOM 1849 O ARG A 117 -2.834 7.180 12.761 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.508 10.108 14.295 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.473 10.821 15.167 1.00 0.00 C ATOM 1852 CD ARG A 117 -1.891 10.804 16.639 1.00 0.00 C ATOM 1853 NE ARG A 117 -0.715 11.058 17.502 1.00 0.00 N ATOM 1854 CZ ARG A 117 -0.792 11.495 18.766 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -1.988 11.728 19.323 1.00 0.00 N ATOM 1856 NH2 ARG A 117 0.327 11.698 19.474 1.00 0.00 N ATOM 0 H ARG A 117 -1.123 11.175 12.494 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.013 8.737 13.594 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.195 10.839 13.869 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.102 9.432 14.909 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.503 10.337 15.055 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.356 11.851 14.830 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.654 11.562 16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.334 9.840 16.889 1.00 0.00 H new ATOM 0 HE ARG A 117 0.211 10.890 17.110 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -2.840 11.573 18.785 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -2.046 12.061 20.285 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.238 11.520 19.051 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.268 12.031 20.436 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.719 8.979 11.715 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.747 8.215 11.030 1.00 0.00 C ATOM 1872 C GLY A 118 -4.128 7.230 10.036 1.00 0.00 C ATOM 1873 O GLY A 118 -4.441 6.040 10.059 1.00 0.00 O ATOM 0 H GLY A 118 -3.730 9.980 11.519 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.348 7.672 11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.420 8.893 10.505 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.260 7.762 9.188 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.594 6.945 8.188 1.00 0.00 C ATOM 1879 C LEU A 119 -2.009 5.700 8.860 1.00 0.00 C ATOM 1880 O LEU A 119 -2.145 4.591 8.345 1.00 0.00 O ATOM 1881 CB LEU A 119 -1.561 7.773 7.421 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.075 8.505 6.180 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -3.567 8.821 6.309 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -1.245 9.759 5.900 1.00 0.00 C ATOM 0 H LEU A 119 -3.003 8.749 9.173 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.309 6.599 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.136 8.510 8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.748 7.113 7.118 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.959 7.844 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.907 9.341 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.127 7.893 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.731 9.454 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.631 10.260 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.306 10.434 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.205 9.477 5.734 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.371 5.926 9.999 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.765 4.838 10.746 1.00 0.00 C ATOM 1898 C GLU A 120 -1.805 3.754 11.042 1.00 0.00 C ATOM 1899 O GLU A 120 -1.558 2.572 10.809 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.123 5.349 12.037 1.00 0.00 C ATOM 1901 CG GLU A 120 1.070 6.258 11.733 1.00 0.00 C ATOM 1902 CD GLU A 120 1.143 7.417 12.729 1.00 0.00 C ATOM 1903 OE1 GLU A 120 1.318 7.123 13.931 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.023 8.572 12.266 1.00 0.00 O ATOM 0 H GLU A 120 -1.261 6.847 10.423 1.00 0.00 H new ATOM 0 HA GLU A 120 0.025 4.400 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.862 5.896 12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.204 4.505 12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.993 5.679 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.985 6.650 10.719 1.00 0.00 H new ATOM 1911 N ALA A 121 -2.945 4.197 11.552 1.00 0.00 N ATOM 1912 CA ALA A 121 -4.022 3.280 11.882 1.00 0.00 C ATOM 1913 C ALA A 121 -4.365 2.437 10.652 1.00 0.00 C ATOM 1914 O ALA A 121 -4.636 1.243 10.769 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.225 4.071 12.401 1.00 0.00 C ATOM 0 H ALA A 121 -3.146 5.178 11.745 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.715 2.597 12.674 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.033 3.383 12.649 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.937 4.628 13.292 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.563 4.766 11.632 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.342 3.093 9.501 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.646 2.419 8.250 1.00 0.00 C ATOM 1923 C ALA A 122 -3.837 1.124 8.163 1.00 0.00 C ATOM 1924 O ALA A 122 -4.397 0.051 7.940 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.364 3.363 7.079 1.00 0.00 C ATOM 0 H ALA A 122 -4.118 4.084 9.408 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.702 2.151 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.592 2.857 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.986 4.253 7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.313 3.652 7.089 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.532 1.266 8.343 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.639 0.120 8.287 1.00 0.00 C ATOM 1933 C LEU A 123 -1.947 -0.817 9.457 1.00 0.00 C ATOM 1934 O LEU A 123 -2.306 -1.975 9.251 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.181 0.580 8.234 1.00 0.00 C ATOM 1936 CG LEU A 123 0.865 -0.526 8.080 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.481 -0.891 9.432 1.00 0.00 C ATOM 1938 CD2 LEU A 123 0.273 -1.747 7.372 1.00 0.00 C ATOM 0 H LEU A 123 -2.071 2.157 8.528 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.803 -0.448 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.070 1.276 7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.038 1.135 9.146 1.00 0.00 H new ATOM 0 HG LEU A 123 1.671 -0.148 7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.221 -1.679 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.963 -0.013 9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.699 -1.242 10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.038 -2.518 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -0.563 -2.136 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.078 -1.458 6.381 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.794 -0.281 10.659 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.051 -1.056 11.861 1.00 0.00 C ATOM 1952 C LEU A 124 -3.292 -1.925 11.648 1.00 0.00 C ATOM 1953 O LEU A 124 -3.361 -3.048 12.145 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.146 -0.136 13.081 1.00 0.00 C ATOM 1955 CG LEU A 124 -0.842 0.534 13.519 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -1.121 1.839 14.267 1.00 0.00 C ATOM 1957 CD2 LEU A 124 0.018 -0.427 14.342 1.00 0.00 C ATOM 0 H LEU A 124 -1.496 0.680 10.826 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.220 -1.732 12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.878 0.643 12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.533 -0.716 13.919 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.272 0.791 12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.178 2.295 14.567 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.664 2.523 13.615 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.721 1.630 15.153 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.939 0.074 14.641 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.532 -0.737 15.231 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.260 -1.304 13.741 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.242 -1.372 10.908 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.477 -2.082 10.623 1.00 0.00 C ATOM 1971 C ARG A 125 -5.210 -3.250 9.671 1.00 0.00 C ATOM 1972 O ARG A 125 -5.534 -4.395 9.982 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.516 -1.151 9.996 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.315 -0.416 11.075 1.00 0.00 C ATOM 1975 CD ARG A 125 -7.652 1.009 10.633 1.00 0.00 C ATOM 1976 NE ARG A 125 -7.975 1.842 11.813 1.00 0.00 N ATOM 1977 CZ ARG A 125 -9.081 1.696 12.555 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -9.976 0.750 12.244 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -9.291 2.497 13.608 1.00 0.00 N ATOM 0 H ARG A 125 -4.181 -0.440 10.497 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.867 -2.460 11.568 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.019 -0.427 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.193 -1.728 9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.234 -0.962 11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.741 -0.387 12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.809 1.440 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.497 0.995 9.945 1.00 0.00 H new ATOM 0 HE ARG A 125 -7.314 2.573 12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -9.816 0.140 11.442 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.818 0.639 12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.609 3.218 13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.133 2.386 14.173 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.621 -2.920 8.531 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.306 -3.928 7.532 1.00 0.00 C ATOM 1995 C LEU A 126 -3.485 -5.044 8.181 1.00 0.00 C ATOM 1996 O LEU A 126 -3.771 -6.224 7.985 1.00 0.00 O ATOM 1997 CB LEU A 126 -3.625 -3.287 6.321 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.369 -2.117 5.675 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -3.404 -1.212 4.906 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.514 -2.616 4.791 1.00 0.00 C ATOM 0 H LEU A 126 -4.354 -1.969 8.277 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.219 -4.385 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.638 -2.940 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.473 -4.057 5.565 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.813 -1.515 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.958 -0.388 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.654 -0.815 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.911 -1.788 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.026 -1.764 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.114 -3.253 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.219 -3.187 5.396 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.480 -4.631 8.940 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.616 -5.581 9.619 1.00 0.00 C ATOM 2014 C GLN A 127 -2.442 -6.503 10.518 1.00 0.00 C ATOM 2015 O GLN A 127 -2.063 -7.649 10.754 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.532 -4.860 10.422 1.00 0.00 C ATOM 2017 CG GLN A 127 0.410 -4.084 9.498 1.00 0.00 C ATOM 2018 CD GLN A 127 1.818 -4.004 10.093 1.00 0.00 C ATOM 2019 OE1 GLN A 127 2.027 -3.528 11.196 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.768 -4.494 9.302 1.00 0.00 N ATOM 0 H GLN A 127 -2.245 -3.651 9.099 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.118 -6.192 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -0.995 -4.176 11.133 1.00 0.00 H new ATOM 0 HB3 GLN A 127 0.038 -5.585 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.450 -4.569 8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 127 0.021 -3.078 9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.524 -4.878 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.741 -4.486 9.608 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.556 -5.968 10.995 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.440 -6.728 11.863 1.00 0.00 C ATOM 2031 C ALA A 128 -5.296 -7.670 11.014 1.00 0.00 C ATOM 2032 O ALA A 128 -5.527 -8.816 11.394 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.286 -5.766 12.699 1.00 0.00 C ATOM 0 H ALA A 128 -3.867 -5.017 10.797 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.863 -7.341 12.556 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.949 -6.336 13.350 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.632 -5.140 13.306 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.881 -5.136 12.038 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.743 -7.150 9.880 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.568 -7.931 8.974 1.00 0.00 C ATOM 2041 C GLN A 129 -5.764 -9.097 8.395 1.00 0.00 C ATOM 2042 O GLN A 129 -6.327 -10.140 8.065 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.140 -7.052 7.859 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.274 -6.169 8.385 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.121 -5.622 7.234 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -9.428 -6.310 6.274 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.480 -4.351 7.384 1.00 0.00 N ATOM 0 H GLN A 129 -5.550 -6.198 9.568 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.407 -8.339 9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.350 -6.427 7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.509 -7.681 7.049 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.904 -6.745 9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.859 -5.342 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.188 -3.833 8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.047 -3.894 6.670 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.461 -8.881 8.289 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.575 -9.901 7.755 1.00 0.00 C ATOM 2058 C VAL A 130 -3.557 -11.102 8.704 1.00 0.00 C ATOM 2059 O VAL A 130 -3.770 -12.236 8.279 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.184 -9.311 7.512 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.234 -10.364 6.939 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.261 -8.086 6.598 1.00 0.00 C ATOM 0 H VAL A 130 -3.998 -8.015 8.564 1.00 0.00 H new ATOM 0 HA VAL A 130 -3.937 -10.254 6.789 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.784 -8.988 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.253 -9.918 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.144 -11.193 7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.628 -10.732 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.259 -7.686 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -2.691 -8.374 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -2.888 -7.324 7.062 1.00 0.00 H new ATOM 2072 N ARG A 131 -3.300 -10.811 9.971 1.00 0.00 N ATOM 2073 CA ARG A 131 -3.252 -11.852 10.982 1.00 0.00 C ATOM 2074 C ARG A 131 -4.304 -12.924 10.692 1.00 0.00 C ATOM 2075 O ARG A 131 -4.013 -14.118 10.754 1.00 0.00 O ATOM 2076 CB ARG A 131 -3.493 -11.275 12.379 1.00 0.00 C ATOM 2077 CG ARG A 131 -2.172 -11.077 13.126 1.00 0.00 C ATOM 2078 CD ARG A 131 -2.420 -10.713 14.591 1.00 0.00 C ATOM 2079 NE ARG A 131 -3.031 -11.859 15.301 1.00 0.00 N ATOM 2080 CZ ARG A 131 -2.335 -12.886 15.807 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -1.001 -12.917 15.684 1.00 0.00 N ATOM 2082 NH2 ARG A 131 -2.972 -13.883 16.435 1.00 0.00 N ATOM 0 H ARG A 131 -3.123 -9.869 10.320 1.00 0.00 H new ATOM 0 HA ARG A 131 -2.258 -12.297 10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -4.015 -10.322 12.297 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -4.139 -11.945 12.947 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -1.578 -11.989 13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -1.593 -10.289 12.645 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -1.480 -10.437 15.070 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -3.076 -9.845 14.653 1.00 0.00 H new ATOM 0 HE ARG A 131 -4.045 -11.867 15.412 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -0.515 -12.159 15.205 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -0.471 -13.699 16.069 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -3.987 -13.861 16.528 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -2.442 -14.665 16.820 1.00 0.00 H new ATOM 2096 N LYS A 132 -5.506 -12.459 10.382 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.603 -13.363 10.082 1.00 0.00 C ATOM 2098 C LYS A 132 -6.362 -14.016 8.719 1.00 0.00 C ATOM 2099 O LYS A 132 -6.510 -15.228 8.573 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.943 -12.632 10.185 1.00 0.00 C ATOM 2101 CG LYS A 132 -7.970 -11.707 11.403 1.00 0.00 C ATOM 2102 CD LYS A 132 -7.840 -10.242 10.982 1.00 0.00 C ATOM 2103 CE LYS A 132 -9.170 -9.704 10.450 1.00 0.00 C ATOM 2104 NZ LYS A 132 -9.325 -10.035 9.016 1.00 0.00 N ATOM 0 H LYS A 132 -5.744 -11.468 10.332 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.647 -14.166 10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -8.115 -12.051 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -8.753 -13.358 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -8.901 -11.850 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -7.157 -11.968 12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -7.516 -9.643 11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -7.072 -10.147 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -9.996 -10.131 11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.213 -8.623 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -9.925 -9.320 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -8.391 -10.047 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -9.769 -10.971 8.922 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.996 -13.183 7.756 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.733 -13.664 6.410 1.00 0.00 C ATOM 2120 C ALA A 133 -4.700 -14.791 6.469 1.00 0.00 C ATOM 2121 O ALA A 133 -4.659 -15.647 5.587 1.00 0.00 O ATOM 2122 CB ALA A 133 -5.276 -12.498 5.531 1.00 0.00 C ATOM 0 H ALA A 133 -5.875 -12.178 7.881 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.640 -14.072 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.079 -12.859 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.057 -11.739 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.366 -12.065 5.946 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.889 -14.754 7.516 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.858 -15.761 7.701 1.00 0.00 C ATOM 2130 C LEU A 134 -3.504 -17.148 7.715 1.00 0.00 C ATOM 2131 O LEU A 134 -2.956 -18.097 7.156 1.00 0.00 O ATOM 2132 CB LEU A 134 -2.029 -15.456 8.950 1.00 0.00 C ATOM 2133 CG LEU A 134 -1.378 -14.072 9.001 1.00 0.00 C ATOM 2134 CD1 LEU A 134 -0.316 -14.006 10.101 1.00 0.00 C ATOM 2135 CD2 LEU A 134 -0.813 -13.681 7.634 1.00 0.00 C ATOM 0 H LEU A 134 -3.925 -14.042 8.245 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.155 -15.744 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -2.671 -15.566 9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.245 -16.208 9.034 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.147 -13.342 9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.131 -13.012 10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.779 -14.210 11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.457 -14.749 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -0.356 -12.693 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.062 -14.409 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -1.618 -13.661 6.900 1.00 0.00 H new ATOM 2147 N THR A 135 -4.658 -17.222 8.361 1.00 0.00 N ATOM 2148 CA THR A 135 -5.384 -18.477 8.456 1.00 0.00 C ATOM 2149 C THR A 135 -6.543 -18.500 7.458 1.00 0.00 C ATOM 2150 O THR A 135 -7.088 -19.561 7.158 1.00 0.00 O ATOM 2151 CB THR A 135 -5.829 -18.658 9.908 1.00 0.00 C ATOM 2152 OG1 THR A 135 -6.623 -17.505 10.174 1.00 0.00 O ATOM 2153 CG2 THR A 135 -4.665 -18.545 10.896 1.00 0.00 C ATOM 0 H THR A 135 -5.109 -16.433 8.824 1.00 0.00 H new ATOM 0 HA THR A 135 -4.749 -19.322 8.188 1.00 0.00 H new ATOM 0 HB THR A 135 -6.309 -19.630 10.022 1.00 0.00 H new ATOM 0 HG1 THR A 135 -6.954 -17.542 11.096 1.00 0.00 H new ATOM 0 HG21 THR A 135 -5.036 -18.681 11.912 1.00 0.00 H new ATOM 0 HG22 THR A 135 -3.924 -19.313 10.674 1.00 0.00 H new ATOM 0 HG23 THR A 135 -4.206 -17.561 10.806 1.00 0.00 H new ATOM 2161 N SER A 136 -6.886 -17.316 6.971 1.00 0.00 N ATOM 2162 CA SER A 136 -7.971 -17.186 6.013 1.00 0.00 C ATOM 2163 C SER A 136 -7.462 -16.518 4.734 1.00 0.00 C ATOM 2164 O SER A 136 -6.928 -17.187 3.850 1.00 0.00 O ATOM 2165 CB SER A 136 -9.134 -16.386 6.603 1.00 0.00 C ATOM 2166 OG SER A 136 -10.203 -16.235 5.673 1.00 0.00 O ATOM 0 H SER A 136 -6.431 -16.438 7.222 1.00 0.00 H new ATOM 0 HA SER A 136 -8.337 -18.184 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 136 -9.501 -16.887 7.499 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.779 -15.402 6.910 1.00 0.00 H new ATOM 0 HG SER A 136 -10.927 -15.720 6.087 1.00 0.00 H new TER 2172 SER A 136