USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 95 TYR OH : rot -80:sc= 1.22 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.02 K(o=2.2,f=-2!) USER MOD Set 2.1: A 50 MET CE :methyl -172:sc= 0 (180deg=-0.00658) USER MOD Set 2.2: A 76 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 1.37 (180deg=0.312) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 0.0878 (180deg=0.00752) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 0.00218 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.0678 X(o=0.068,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.672 K(o=0.67,f=-2.1!) USER MOD Single : A 31 ASN : amide:sc= 0.619 K(o=0.62,f=-5.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0242 K(o=0.024,f=-0.88) USER MOD Single : A 46 TYR OH : rot -25:sc= 1.15 USER MOD Single : A 47 SER OG : rot 150:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0449 K(o=-0.045,f=-1.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.813 K(o=0.81,f=-7.9!) USER MOD Single : A 67 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 68 ASN : amide:sc= 0.396 K(o=0.4,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -131:sc= 0.207 (180deg=0) USER MOD Single : A 78 MET CE :methyl -170:sc= -0.0093 (180deg=-0.035) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.993 K(o=0.99,f=-5.4!) USER MOD Single : A 100 GLN : amide:sc= 0.635 K(o=0.64,f=-0.0073) USER MOD Single : A 101 HEC O2A : rot -109:sc= 0.612 USER MOD Single : A 101 HEC O2D : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.611 1.656 1.631 1.00 0.00 N ATOM 2 CA MET A 1 1.678 1.083 0.260 1.00 0.00 C ATOM 3 C MET A 1 3.164 0.939 -0.183 1.00 0.00 C ATOM 4 O MET A 1 3.882 1.939 -0.263 1.00 0.00 O ATOM 5 CB MET A 1 0.896 1.951 -0.765 1.00 0.00 C ATOM 6 CG MET A 1 -0.632 2.069 -0.586 1.00 0.00 C ATOM 7 SD MET A 1 -1.030 3.077 0.859 1.00 0.00 S ATOM 8 CE MET A 1 -2.711 3.577 0.458 1.00 0.00 C ATOM 0 H1 MET A 1 0.885 2.400 1.661 1.00 0.00 H new ATOM 0 H2 MET A 1 1.367 0.906 2.309 1.00 0.00 H new ATOM 0 H3 MET A 1 2.534 2.063 1.883 1.00 0.00 H new ATOM 0 HA MET A 1 1.209 0.099 0.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.315 2.957 -0.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.087 1.549 -1.760 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.074 2.513 -1.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.068 1.076 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.103 4.208 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.711 4.134 -0.479 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.339 2.692 0.354 1.00 0.00 H new ATOM 19 N ALA A 2 3.617 -0.286 -0.506 1.00 0.00 N ATOM 20 CA ALA A 2 4.984 -0.525 -1.055 1.00 0.00 C ATOM 21 C ALA A 2 4.953 -1.081 -2.519 1.00 0.00 C ATOM 22 O ALA A 2 5.323 -2.229 -2.785 1.00 0.00 O ATOM 23 CB ALA A 2 5.693 -1.440 -0.034 1.00 0.00 C ATOM 0 H ALA A 2 3.062 -1.135 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 2 5.545 0.403 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.705 -1.654 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.737 -0.940 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.138 -2.373 0.065 1.00 0.00 H new ATOM 29 N ASP A 3 4.522 -0.243 -3.481 1.00 0.00 N ATOM 30 CA ASP A 3 4.336 -0.642 -4.901 1.00 0.00 C ATOM 31 C ASP A 3 5.466 -0.024 -5.806 1.00 0.00 C ATOM 32 O ASP A 3 5.457 1.198 -6.008 1.00 0.00 O ATOM 33 CB ASP A 3 2.906 -0.207 -5.319 1.00 0.00 C ATOM 34 CG ASP A 3 2.452 -0.762 -6.668 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.081 -1.917 -6.838 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.509 0.164 -7.664 1.00 0.00 O ATOM 0 H ASP A 3 4.291 0.734 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 3 4.426 -1.721 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.202 -0.528 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.865 0.882 -5.354 1.00 0.00 H new ATOM 41 N PRO A 4 6.422 -0.798 -6.405 1.00 0.00 N ATOM 42 CA PRO A 4 7.520 -0.219 -7.233 1.00 0.00 C ATOM 43 C PRO A 4 7.153 0.449 -8.602 1.00 0.00 C ATOM 44 O PRO A 4 7.824 1.406 -8.999 1.00 0.00 O ATOM 45 CB PRO A 4 8.516 -1.391 -7.339 1.00 0.00 C ATOM 46 CG PRO A 4 7.724 -2.669 -7.069 1.00 0.00 C ATOM 47 CD PRO A 4 6.560 -2.250 -6.175 1.00 0.00 C ATOM 0 HA PRO A 4 7.921 0.674 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.973 -1.421 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.325 -1.278 -6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.365 -3.111 -7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.345 -3.419 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.646 -2.782 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.766 -2.468 -5.127 1.00 0.00 H new ATOM 55 N ALA A 5 6.087 0.009 -9.297 1.00 0.00 N ATOM 56 CA ALA A 5 5.528 0.732 -10.478 1.00 0.00 C ATOM 57 C ALA A 5 4.949 2.165 -10.204 1.00 0.00 C ATOM 58 O ALA A 5 5.236 3.092 -10.967 1.00 0.00 O ATOM 59 CB ALA A 5 4.498 -0.206 -11.135 1.00 0.00 C ATOM 0 H ALA A 5 5.586 -0.849 -9.066 1.00 0.00 H new ATOM 0 HA ALA A 5 6.356 0.957 -11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.063 0.284 -12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.991 -1.127 -11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.710 -0.440 -10.419 1.00 0.00 H new ATOM 65 N ALA A 6 4.192 2.371 -9.105 1.00 0.00 N ATOM 66 CA ALA A 6 3.939 3.731 -8.548 1.00 0.00 C ATOM 67 C ALA A 6 5.203 4.510 -8.046 1.00 0.00 C ATOM 68 O ALA A 6 5.312 5.709 -8.308 1.00 0.00 O ATOM 69 CB ALA A 6 2.883 3.574 -7.440 1.00 0.00 C ATOM 0 H ALA A 6 3.743 1.619 -8.582 1.00 0.00 H new ATOM 0 HA ALA A 6 3.585 4.363 -9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.667 4.549 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.970 3.156 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.263 2.906 -6.667 1.00 0.00 H new ATOM 75 N GLY A 7 6.173 3.844 -7.389 1.00 0.00 N ATOM 76 CA GLY A 7 7.511 4.435 -7.101 1.00 0.00 C ATOM 77 C GLY A 7 8.369 4.955 -8.280 1.00 0.00 C ATOM 78 O GLY A 7 9.008 5.997 -8.140 1.00 0.00 O ATOM 0 H GLY A 7 6.061 2.891 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.363 5.265 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.097 3.682 -6.574 1.00 0.00 H new ATOM 82 N GLU A 8 8.350 4.280 -9.444 1.00 0.00 N ATOM 83 CA GLU A 8 8.853 4.856 -10.728 1.00 0.00 C ATOM 84 C GLU A 8 8.157 6.174 -11.207 1.00 0.00 C ATOM 85 O GLU A 8 8.843 7.046 -11.749 1.00 0.00 O ATOM 86 CB GLU A 8 8.810 3.743 -11.812 1.00 0.00 C ATOM 87 CG GLU A 8 9.650 4.010 -13.092 1.00 0.00 C ATOM 88 CD GLU A 8 8.936 4.672 -14.275 1.00 0.00 C ATOM 89 OE1 GLU A 8 8.862 6.034 -14.163 1.00 0.00 O ATOM 90 OE2 GLU A 8 8.508 4.036 -15.234 1.00 0.00 O ATOM 0 H GLU A 8 7.992 3.329 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 8 9.876 5.184 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.154 2.811 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.772 3.590 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.497 4.638 -12.815 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.057 3.058 -13.433 1.00 0.00 H new ATOM 97 N LYS A 9 6.832 6.316 -11.025 1.00 0.00 N ATOM 98 CA LYS A 9 6.107 7.611 -11.203 1.00 0.00 C ATOM 99 C LYS A 9 6.517 8.713 -10.163 1.00 0.00 C ATOM 100 O LYS A 9 6.800 9.845 -10.565 1.00 0.00 O ATOM 101 CB LYS A 9 4.571 7.362 -11.195 1.00 0.00 C ATOM 102 CG LYS A 9 4.026 6.366 -12.248 1.00 0.00 C ATOM 103 CD LYS A 9 2.517 6.086 -12.082 1.00 0.00 C ATOM 104 CE LYS A 9 1.990 4.935 -12.959 1.00 0.00 C ATOM 105 NZ LYS A 9 2.409 3.614 -12.442 1.00 0.00 N ATOM 0 H LYS A 9 6.224 5.544 -10.751 1.00 0.00 H new ATOM 0 HA LYS A 9 6.404 8.011 -12.173 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.289 7.001 -10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.070 8.319 -11.339 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.209 6.763 -13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.575 5.428 -12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.315 5.854 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.962 6.993 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.902 4.980 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.355 5.059 -13.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.521 2.950 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.315 3.709 -11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.686 3.252 -11.787 1.00 0.00 H new ATOM 118 N VAL A 10 6.627 8.382 -8.855 1.00 0.00 N ATOM 119 CA VAL A 10 7.281 9.264 -7.830 1.00 0.00 C ATOM 120 C VAL A 10 8.773 9.647 -8.169 1.00 0.00 C ATOM 121 O VAL A 10 9.136 10.813 -7.990 1.00 0.00 O ATOM 122 CB VAL A 10 7.141 8.685 -6.374 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.633 9.676 -5.289 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.709 8.274 -5.951 1.00 0.00 C ATOM 0 H VAL A 10 6.272 7.506 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 10 6.726 10.202 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 10 7.764 7.793 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.514 9.225 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.685 9.907 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.047 10.594 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.727 7.889 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.052 9.142 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.338 7.501 -6.624 1.00 0.00 H new ATOM 134 N PHE A 11 9.618 8.732 -8.699 1.00 0.00 N ATOM 135 CA PHE A 11 10.959 9.088 -9.259 1.00 0.00 C ATOM 136 C PHE A 11 10.982 10.170 -10.409 1.00 0.00 C ATOM 137 O PHE A 11 12.012 10.824 -10.578 1.00 0.00 O ATOM 138 CB PHE A 11 11.725 7.779 -9.632 1.00 0.00 C ATOM 139 CG PHE A 11 13.262 7.932 -9.725 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.860 8.374 -10.910 1.00 0.00 C ATOM 141 CD2 PHE A 11 14.069 7.703 -8.605 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.223 8.667 -10.947 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.433 7.983 -8.648 1.00 0.00 C ATOM 144 CZ PHE A 11 16.005 8.495 -9.810 1.00 0.00 C ATOM 0 H PHE A 11 9.401 7.737 -8.754 1.00 0.00 H new ATOM 0 HA PHE A 11 11.485 9.614 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.494 7.015 -8.889 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.351 7.416 -10.589 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.262 8.489 -11.802 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.631 7.306 -7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.672 9.028 -11.860 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.048 7.803 -7.779 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.052 8.758 -9.828 1.00 0.00 H new ATOM 154 N GLY A 12 9.867 10.460 -11.116 1.00 0.00 N ATOM 155 CA GLY A 12 9.663 11.768 -11.819 1.00 0.00 C ATOM 156 C GLY A 12 10.023 13.092 -11.082 1.00 0.00 C ATOM 157 O GLY A 12 10.599 13.998 -11.685 1.00 0.00 O ATOM 0 H GLY A 12 9.087 9.811 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.243 11.738 -12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.613 11.827 -12.104 1.00 0.00 H new ATOM 161 N LYS A 13 9.729 13.173 -9.775 1.00 0.00 N ATOM 162 CA LYS A 13 10.264 14.233 -8.864 1.00 0.00 C ATOM 163 C LYS A 13 11.823 14.218 -8.625 1.00 0.00 C ATOM 164 O LYS A 13 12.421 15.279 -8.435 1.00 0.00 O ATOM 165 CB LYS A 13 9.521 14.115 -7.497 1.00 0.00 C ATOM 166 CG LYS A 13 7.976 14.247 -7.516 1.00 0.00 C ATOM 167 CD LYS A 13 7.329 13.882 -6.166 1.00 0.00 C ATOM 168 CE LYS A 13 5.796 13.819 -6.255 1.00 0.00 C ATOM 169 NZ LYS A 13 5.217 13.441 -4.951 1.00 0.00 N ATOM 0 H LYS A 13 9.113 12.510 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 13 10.079 15.183 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.772 13.149 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.917 14.881 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.707 15.270 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.570 13.601 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.712 12.918 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.618 14.618 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.404 14.787 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.499 13.096 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.237 13.784 -4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.228 12.406 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.778 13.867 -4.186 1.00 0.00 H new ATOM 182 N CYS A 14 12.465 13.033 -8.604 1.00 0.00 N ATOM 183 CA CYS A 14 13.933 12.877 -8.410 1.00 0.00 C ATOM 184 C CYS A 14 14.822 12.949 -9.709 1.00 0.00 C ATOM 185 O CYS A 14 15.943 13.466 -9.644 1.00 0.00 O ATOM 186 CB CYS A 14 14.135 11.532 -7.665 1.00 0.00 C ATOM 187 SG CYS A 14 12.925 11.200 -6.341 1.00 0.00 S ATOM 0 H CYS A 14 11.980 12.144 -8.722 1.00 0.00 H new ATOM 0 HA CYS A 14 14.283 13.738 -7.840 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.089 10.720 -8.391 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.136 11.518 -7.234 1.00 0.00 H new ATOM 192 N LYS A 15 14.348 12.433 -10.867 1.00 0.00 N ATOM 193 CA LYS A 15 15.145 12.313 -12.130 1.00 0.00 C ATOM 194 C LYS A 15 15.766 13.589 -12.783 1.00 0.00 C ATOM 195 O LYS A 15 16.805 13.477 -13.439 1.00 0.00 O ATOM 196 CB LYS A 15 14.353 11.475 -13.174 1.00 0.00 C ATOM 197 CG LYS A 15 13.082 12.097 -13.799 1.00 0.00 C ATOM 198 CD LYS A 15 12.413 11.235 -14.894 1.00 0.00 C ATOM 199 CE LYS A 15 11.939 9.838 -14.448 1.00 0.00 C ATOM 200 NZ LYS A 15 11.151 9.200 -15.521 1.00 0.00 N ATOM 0 H LYS A 15 13.395 12.083 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 15 16.048 11.810 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.035 11.225 -13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.065 10.537 -12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.356 12.281 -13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.340 13.066 -14.226 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.555 11.781 -15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.118 11.114 -15.716 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.799 9.216 -14.200 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.335 9.922 -13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.837 8.259 -15.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.321 9.787 -15.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.739 9.103 -16.373 1.00 0.00 H new ATOM 213 N ALA A 16 15.181 14.786 -12.590 1.00 0.00 N ATOM 214 CA ALA A 16 15.855 16.073 -12.928 1.00 0.00 C ATOM 215 C ALA A 16 17.256 16.346 -12.273 1.00 0.00 C ATOM 216 O ALA A 16 18.095 17.003 -12.895 1.00 0.00 O ATOM 217 CB ALA A 16 14.844 17.188 -12.599 1.00 0.00 C ATOM 0 H ALA A 16 14.244 14.898 -12.203 1.00 0.00 H new ATOM 0 HA ALA A 16 16.121 16.030 -13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.285 18.158 -12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.943 17.049 -13.196 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.588 17.146 -11.540 1.00 0.00 H new ATOM 223 N CYS A 17 17.509 15.837 -11.052 1.00 0.00 N ATOM 224 CA CYS A 17 18.847 15.877 -10.406 1.00 0.00 C ATOM 225 C CYS A 17 19.634 14.517 -10.359 1.00 0.00 C ATOM 226 O CYS A 17 20.862 14.534 -10.494 1.00 0.00 O ATOM 227 CB CYS A 17 18.631 16.450 -8.992 1.00 0.00 C ATOM 228 SG CYS A 17 17.675 18.000 -8.997 1.00 0.00 S ATOM 0 H CYS A 17 16.795 15.385 -10.481 1.00 0.00 H new ATOM 0 HA CYS A 17 19.495 16.501 -11.022 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.113 15.711 -8.381 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.600 16.627 -8.525 1.00 0.00 H new ATOM 233 N HIS A 18 18.961 13.374 -10.113 1.00 0.00 N ATOM 234 CA HIS A 18 19.611 12.066 -9.803 1.00 0.00 C ATOM 235 C HIS A 18 19.424 11.009 -10.940 1.00 0.00 C ATOM 236 O HIS A 18 18.314 10.811 -11.446 1.00 0.00 O ATOM 237 CB HIS A 18 18.953 11.523 -8.509 1.00 0.00 C ATOM 238 CG HIS A 18 19.399 12.189 -7.214 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.408 11.673 -6.448 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.727 13.189 -6.510 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.210 12.334 -5.280 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.261 13.349 -5.223 1.00 0.00 N ATOM 0 H HIS A 18 17.942 13.323 -10.122 1.00 0.00 H new ATOM 0 HA HIS A 18 20.683 12.231 -9.694 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.872 11.632 -8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.161 10.455 -8.438 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.116 10.980 -6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.903 13.765 -6.905 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.784 12.074 -4.403 1.00 0.00 H new ATOM 250 N LYS A 19 20.490 10.256 -11.276 1.00 0.00 N ATOM 251 CA LYS A 19 20.427 9.173 -12.295 1.00 0.00 C ATOM 252 C LYS A 19 20.212 7.752 -11.675 1.00 0.00 C ATOM 253 O LYS A 19 20.745 7.422 -10.611 1.00 0.00 O ATOM 254 CB LYS A 19 21.760 9.222 -13.103 1.00 0.00 C ATOM 255 CG LYS A 19 21.698 8.657 -14.542 1.00 0.00 C ATOM 256 CD LYS A 19 21.429 9.684 -15.664 1.00 0.00 C ATOM 257 CE LYS A 19 20.005 10.266 -15.679 1.00 0.00 C ATOM 258 NZ LYS A 19 19.828 11.154 -16.842 1.00 0.00 N ATOM 0 H LYS A 19 21.413 10.374 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 19 19.562 9.342 -12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.094 10.258 -13.154 1.00 0.00 H new ATOM 0 HB3 LYS A 19 22.519 8.670 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.642 8.156 -14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 19 20.918 7.896 -14.579 1.00 0.00 H new ATOM 0 HD2 LYS A 19 22.140 10.504 -15.565 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.622 9.209 -16.626 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.275 9.458 -15.716 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.821 10.820 -14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.862 11.540 -16.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.513 11.935 -16.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.983 10.615 -17.717 1.00 0.00 H new ATOM 271 N LEU A 20 19.508 6.876 -12.411 1.00 0.00 N ATOM 272 CA LEU A 20 19.529 5.397 -12.155 1.00 0.00 C ATOM 273 C LEU A 20 20.503 4.562 -13.065 1.00 0.00 C ATOM 274 O LEU A 20 20.385 3.334 -13.106 1.00 0.00 O ATOM 275 CB LEU A 20 18.071 4.863 -12.261 1.00 0.00 C ATOM 276 CG LEU A 20 17.063 5.391 -11.215 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.634 5.027 -11.626 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.339 4.882 -9.790 1.00 0.00 C ATOM 0 H LEU A 20 18.912 7.151 -13.192 1.00 0.00 H new ATOM 0 HA LEU A 20 19.936 5.261 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.691 5.105 -13.253 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.100 3.776 -12.188 1.00 0.00 H new ATOM 0 HG LEU A 20 17.184 6.474 -11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.934 5.405 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.409 5.474 -12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.540 3.943 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.595 5.291 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.285 3.793 -9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.333 5.200 -9.476 1.00 0.00 H new ATOM 290 N ASP A 21 21.491 5.178 -13.747 1.00 0.00 N ATOM 291 CA ASP A 21 22.499 4.438 -14.562 1.00 0.00 C ATOM 292 C ASP A 21 23.956 4.896 -14.221 1.00 0.00 C ATOM 293 O ASP A 21 24.681 5.404 -15.082 1.00 0.00 O ATOM 294 CB ASP A 21 22.067 4.591 -16.049 1.00 0.00 C ATOM 295 CG ASP A 21 22.826 3.714 -17.043 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.536 2.392 -16.894 1.00 0.00 O ATOM 297 OD2 ASP A 21 23.603 4.150 -17.885 1.00 0.00 O ATOM 0 H ASP A 21 21.619 6.190 -13.754 1.00 0.00 H new ATOM 0 HA ASP A 21 22.525 3.373 -14.332 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.004 4.363 -16.127 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.192 5.634 -16.341 1.00 0.00 H new ATOM 302 N GLY A 22 24.388 4.719 -12.955 1.00 0.00 N ATOM 303 CA GLY A 22 25.794 4.978 -12.516 1.00 0.00 C ATOM 304 C GLY A 22 26.344 6.433 -12.445 1.00 0.00 C ATOM 305 O GLY A 22 27.195 6.731 -11.607 1.00 0.00 O ATOM 0 H GLY A 22 23.781 4.394 -12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.906 4.543 -11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.448 4.419 -13.185 1.00 0.00 H new ATOM 309 N ASN A 23 25.888 7.316 -13.342 1.00 0.00 N ATOM 310 CA ASN A 23 26.417 8.695 -13.513 1.00 0.00 C ATOM 311 C ASN A 23 25.928 9.695 -12.413 1.00 0.00 C ATOM 312 O ASN A 23 24.796 9.626 -11.922 1.00 0.00 O ATOM 313 CB ASN A 23 26.007 9.179 -14.935 1.00 0.00 C ATOM 314 CG ASN A 23 26.784 8.554 -16.102 1.00 0.00 C ATOM 315 OD1 ASN A 23 27.842 9.031 -16.492 1.00 0.00 O ATOM 316 ND2 ASN A 23 26.307 7.489 -16.703 1.00 0.00 N ATOM 0 H ASN A 23 25.127 7.098 -13.986 1.00 0.00 H new ATOM 0 HA ASN A 23 27.501 8.669 -13.402 1.00 0.00 H new ATOM 0 HB2 ASN A 23 24.946 8.972 -15.077 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.130 10.261 -14.980 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.816 7.072 -17.482 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.427 7.079 -16.391 1.00 0.00 H new ATOM 323 N ASP A 24 26.805 10.641 -12.044 1.00 0.00 N ATOM 324 CA ASP A 24 26.552 11.601 -10.931 1.00 0.00 C ATOM 325 C ASP A 24 26.365 13.035 -11.521 1.00 0.00 C ATOM 326 O ASP A 24 27.295 13.576 -12.129 1.00 0.00 O ATOM 327 CB ASP A 24 27.731 11.534 -9.916 1.00 0.00 C ATOM 328 CG ASP A 24 28.097 10.166 -9.323 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.003 9.427 -8.987 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.251 9.777 -9.181 1.00 0.00 O ATOM 0 H ASP A 24 27.709 10.771 -12.499 1.00 0.00 H new ATOM 0 HA ASP A 24 25.639 11.339 -10.397 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.618 11.932 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.498 12.204 -9.089 1.00 0.00 H new ATOM 335 N GLY A 25 25.169 13.637 -11.376 1.00 0.00 N ATOM 336 CA GLY A 25 24.853 14.950 -12.007 1.00 0.00 C ATOM 337 C GLY A 25 24.739 16.108 -10.999 1.00 0.00 C ATOM 338 O GLY A 25 25.726 16.483 -10.364 1.00 0.00 O ATOM 0 H GLY A 25 24.402 13.243 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 25 25.628 15.189 -12.736 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.915 14.863 -12.556 1.00 0.00 H new ATOM 342 N VAL A 26 23.528 16.665 -10.841 1.00 0.00 N ATOM 343 CA VAL A 26 23.223 17.619 -9.721 1.00 0.00 C ATOM 344 C VAL A 26 23.168 16.874 -8.339 1.00 0.00 C ATOM 345 O VAL A 26 23.818 17.319 -7.392 1.00 0.00 O ATOM 346 CB VAL A 26 21.952 18.489 -10.030 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.575 19.478 -8.900 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.059 19.322 -11.331 1.00 0.00 C ATOM 0 H VAL A 26 22.738 16.484 -11.461 1.00 0.00 H new ATOM 0 HA VAL A 26 24.045 18.331 -9.641 1.00 0.00 H new ATOM 0 HB VAL A 26 21.178 17.729 -10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.688 20.041 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.370 18.923 -7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.402 20.167 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.142 19.894 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.905 20.005 -11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.205 18.654 -12.180 1.00 0.00 H new ATOM 358 N GLY A 27 22.436 15.748 -8.238 1.00 0.00 N ATOM 359 CA GLY A 27 22.661 14.748 -7.167 1.00 0.00 C ATOM 360 C GLY A 27 23.437 13.473 -7.624 1.00 0.00 C ATOM 361 O GLY A 27 23.563 13.230 -8.833 1.00 0.00 O ATOM 0 H GLY A 27 21.684 15.505 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.213 15.222 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.696 14.445 -6.762 1.00 0.00 H new ATOM 365 N PRO A 28 23.945 12.596 -6.709 1.00 0.00 N ATOM 366 CA PRO A 28 24.614 11.322 -7.104 1.00 0.00 C ATOM 367 C PRO A 28 23.667 10.240 -7.723 1.00 0.00 C ATOM 368 O PRO A 28 22.444 10.391 -7.792 1.00 0.00 O ATOM 369 CB PRO A 28 25.249 10.898 -5.759 1.00 0.00 C ATOM 370 CG PRO A 28 24.313 11.453 -4.687 1.00 0.00 C ATOM 371 CD PRO A 28 23.900 12.810 -5.249 1.00 0.00 C ATOM 0 HA PRO A 28 25.325 11.445 -7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.333 9.814 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.255 11.303 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.452 10.804 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.817 11.552 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.903 13.098 -4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.582 13.600 -4.936 1.00 0.00 H new ATOM 379 N HIS A 29 24.235 9.109 -8.154 1.00 0.00 N ATOM 380 CA HIS A 29 23.446 7.964 -8.680 1.00 0.00 C ATOM 381 C HIS A 29 22.596 7.241 -7.576 1.00 0.00 C ATOM 382 O HIS A 29 23.125 6.848 -6.530 1.00 0.00 O ATOM 383 CB HIS A 29 24.401 7.034 -9.477 1.00 0.00 C ATOM 384 CG HIS A 29 25.426 6.196 -8.701 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.687 6.644 -8.327 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.256 4.847 -8.356 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.176 5.481 -7.784 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.391 4.362 -7.735 1.00 0.00 N ATOM 0 H HIS A 29 25.243 8.951 -8.153 1.00 0.00 H new ATOM 0 HA HIS A 29 22.683 8.329 -9.367 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.786 6.348 -10.060 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.949 7.653 -10.188 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.120 7.562 -8.426 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.364 4.269 -8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.183 5.450 -7.395 1.00 0.00 H new ATOM 396 N LEU A 30 21.281 7.079 -7.796 1.00 0.00 N ATOM 397 CA LEU A 30 20.385 6.336 -6.848 1.00 0.00 C ATOM 398 C LEU A 30 20.167 4.810 -7.139 1.00 0.00 C ATOM 399 O LEU A 30 19.547 4.132 -6.313 1.00 0.00 O ATOM 400 CB LEU A 30 19.046 7.109 -6.665 1.00 0.00 C ATOM 401 CG LEU A 30 19.125 8.499 -5.978 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.759 9.203 -6.004 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.618 8.467 -4.520 1.00 0.00 C ATOM 0 H LEU A 30 20.800 7.446 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 30 20.928 6.311 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.594 7.242 -7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.369 6.482 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 30 19.865 9.047 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.841 10.175 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.440 9.341 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.025 8.593 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.641 9.481 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.942 7.857 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.620 8.040 -4.484 1.00 0.00 H new ATOM 415 N ASN A 31 20.727 4.237 -8.225 1.00 0.00 N ATOM 416 CA ASN A 31 20.902 2.764 -8.374 1.00 0.00 C ATOM 417 C ASN A 31 21.913 2.192 -7.325 1.00 0.00 C ATOM 418 O ASN A 31 23.111 2.493 -7.363 1.00 0.00 O ATOM 419 CB ASN A 31 21.272 2.404 -9.842 1.00 0.00 C ATOM 420 CG ASN A 31 22.536 3.046 -10.443 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.583 4.243 -10.705 1.00 0.00 O ATOM 422 ND2 ASN A 31 23.599 2.315 -10.681 1.00 0.00 N ATOM 0 H ASN A 31 21.071 4.772 -9.022 1.00 0.00 H new ATOM 0 HA ASN A 31 19.950 2.278 -8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 31 21.385 1.322 -9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.427 2.672 -10.476 1.00 0.00 H new ATOM 0 HD21 ASN A 31 24.436 2.745 -11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.588 1.317 -10.473 1.00 0.00 H new ATOM 429 N GLY A 32 21.399 1.446 -6.339 1.00 0.00 N ATOM 430 CA GLY A 32 22.201 1.044 -5.151 1.00 0.00 C ATOM 431 C GLY A 32 22.334 2.109 -4.044 1.00 0.00 C ATOM 432 O GLY A 32 23.450 2.404 -3.613 1.00 0.00 O ATOM 0 H GLY A 32 20.438 1.105 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.752 0.150 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.201 0.768 -5.487 1.00 0.00 H new ATOM 436 N VAL A 33 21.204 2.662 -3.575 1.00 0.00 N ATOM 437 CA VAL A 33 21.160 3.576 -2.389 1.00 0.00 C ATOM 438 C VAL A 33 20.615 2.907 -1.081 1.00 0.00 C ATOM 439 O VAL A 33 21.121 3.230 -0.004 1.00 0.00 O ATOM 440 CB VAL A 33 20.463 4.930 -2.753 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.935 4.831 -2.947 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.769 6.050 -1.730 1.00 0.00 C ATOM 0 H VAL A 33 20.290 2.498 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 33 22.193 3.809 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 33 20.899 5.188 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.535 5.814 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.715 4.134 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.474 4.475 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.261 6.966 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.418 5.748 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.844 6.226 -1.694 1.00 0.00 H new ATOM 452 N VAL A 34 19.605 2.011 -1.135 1.00 0.00 N ATOM 453 CA VAL A 34 18.987 1.394 0.081 1.00 0.00 C ATOM 454 C VAL A 34 19.997 0.372 0.704 1.00 0.00 C ATOM 455 O VAL A 34 20.305 -0.660 0.098 1.00 0.00 O ATOM 456 CB VAL A 34 17.583 0.754 -0.212 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.856 0.341 1.092 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.607 1.649 -1.010 1.00 0.00 C ATOM 0 H VAL A 34 19.191 1.691 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 34 18.788 2.180 0.810 1.00 0.00 H new ATOM 0 HB VAL A 34 17.831 -0.111 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.889 -0.097 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.460 -0.390 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.707 1.220 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.667 1.118 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.420 2.568 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.045 1.893 -1.978 1.00 0.00 H new ATOM 468 N GLY A 35 20.563 0.715 1.872 1.00 0.00 N ATOM 469 CA GLY A 35 21.807 0.068 2.373 1.00 0.00 C ATOM 470 C GLY A 35 23.134 0.860 2.241 1.00 0.00 C ATOM 471 O GLY A 35 24.022 0.642 3.069 1.00 0.00 O ATOM 0 H GLY A 35 20.188 1.433 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.661 -0.169 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.928 -0.879 1.847 1.00 0.00 H new ATOM 475 N ARG A 36 23.316 1.747 1.240 1.00 0.00 N ATOM 476 CA ARG A 36 24.603 2.473 1.021 1.00 0.00 C ATOM 477 C ARG A 36 24.968 3.476 2.163 1.00 0.00 C ATOM 478 O ARG A 36 24.103 4.161 2.713 1.00 0.00 O ATOM 479 CB ARG A 36 24.525 3.183 -0.361 1.00 0.00 C ATOM 480 CG ARG A 36 25.841 3.858 -0.844 1.00 0.00 C ATOM 481 CD ARG A 36 25.823 4.370 -2.294 1.00 0.00 C ATOM 482 NE ARG A 36 24.980 5.592 -2.460 1.00 0.00 N ATOM 483 CZ ARG A 36 24.377 5.953 -3.593 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.190 5.151 -4.607 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.947 7.174 -3.714 1.00 0.00 N ATOM 0 H ARG A 36 22.590 1.984 0.564 1.00 0.00 H new ATOM 0 HA ARG A 36 25.412 1.743 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.217 2.452 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.744 3.942 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.064 4.696 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.657 3.143 -0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.842 4.590 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.449 3.583 -2.949 1.00 0.00 H new ATOM 0 HE ARG A 36 24.857 6.195 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.513 4.185 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.721 5.491 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 36 24.073 7.837 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.483 7.469 -4.573 1.00 0.00 H new ATOM 499 N THR A 37 26.272 3.595 2.469 1.00 0.00 N ATOM 500 CA THR A 37 26.815 4.585 3.446 1.00 0.00 C ATOM 501 C THR A 37 26.384 6.068 3.157 1.00 0.00 C ATOM 502 O THR A 37 26.338 6.505 1.999 1.00 0.00 O ATOM 503 CB THR A 37 28.368 4.412 3.495 1.00 0.00 C ATOM 504 OG1 THR A 37 28.720 3.060 3.776 1.00 0.00 O ATOM 505 CG2 THR A 37 29.091 5.240 4.570 1.00 0.00 C ATOM 0 H THR A 37 26.992 3.008 2.048 1.00 0.00 H new ATOM 0 HA THR A 37 26.384 4.378 4.425 1.00 0.00 H new ATOM 0 HB THR A 37 28.683 4.753 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.696 2.974 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.163 5.047 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.905 6.300 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.719 4.961 5.556 1.00 0.00 H new ATOM 513 N VAL A 38 26.081 6.844 4.217 1.00 0.00 N ATOM 514 CA VAL A 38 25.789 8.308 4.086 1.00 0.00 C ATOM 515 C VAL A 38 27.078 9.079 3.620 1.00 0.00 C ATOM 516 O VAL A 38 28.130 9.000 4.261 1.00 0.00 O ATOM 517 CB VAL A 38 25.164 8.928 5.385 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.807 10.424 5.210 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.876 8.234 5.883 1.00 0.00 C ATOM 0 H VAL A 38 26.029 6.495 5.174 1.00 0.00 H new ATOM 0 HA VAL A 38 25.024 8.422 3.318 1.00 0.00 H new ATOM 0 HB VAL A 38 25.955 8.783 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.378 10.806 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.708 10.987 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.083 10.533 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.519 8.733 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.110 8.291 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.089 7.189 6.107 1.00 0.00 H new ATOM 529 N ALA A 39 26.982 9.775 2.467 1.00 0.00 N ATOM 530 CA ALA A 39 28.162 10.268 1.695 1.00 0.00 C ATOM 531 C ALA A 39 29.095 9.156 1.090 1.00 0.00 C ATOM 532 O ALA A 39 30.324 9.259 1.140 1.00 0.00 O ATOM 533 CB ALA A 39 28.893 11.396 2.459 1.00 0.00 C ATOM 0 H ALA A 39 26.088 10.015 2.038 1.00 0.00 H new ATOM 0 HA ALA A 39 27.761 10.715 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.748 11.737 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.209 12.229 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.239 11.019 3.422 1.00 0.00 H new ATOM 539 N GLY A 40 28.503 8.113 0.474 1.00 0.00 N ATOM 540 CA GLY A 40 29.260 6.926 -0.017 1.00 0.00 C ATOM 541 C GLY A 40 29.348 6.712 -1.542 1.00 0.00 C ATOM 542 O GLY A 40 29.364 5.564 -1.989 1.00 0.00 O ATOM 0 H GLY A 40 27.499 8.062 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.276 6.992 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.809 6.036 0.421 1.00 0.00 H new ATOM 546 N VAL A 41 29.460 7.792 -2.326 1.00 0.00 N ATOM 547 CA VAL A 41 29.818 7.720 -3.774 1.00 0.00 C ATOM 548 C VAL A 41 31.192 8.435 -3.956 1.00 0.00 C ATOM 549 O VAL A 41 31.279 9.669 -3.979 1.00 0.00 O ATOM 550 CB VAL A 41 28.668 8.295 -4.668 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.031 8.433 -6.162 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.382 7.444 -4.599 1.00 0.00 C ATOM 0 H VAL A 41 29.308 8.743 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 41 29.928 6.688 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 41 28.505 9.287 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.179 8.838 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.883 9.105 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.288 7.454 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.618 7.887 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.597 6.431 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 41 27.022 7.411 -3.571 1.00 0.00 H new ATOM 562 N ASP A 42 32.259 7.639 -4.151 1.00 0.00 N ATOM 563 CA ASP A 42 33.622 8.153 -4.460 1.00 0.00 C ATOM 564 C ASP A 42 33.692 8.687 -5.931 1.00 0.00 C ATOM 565 O ASP A 42 33.813 7.921 -6.891 1.00 0.00 O ATOM 566 CB ASP A 42 34.642 7.011 -4.202 1.00 0.00 C ATOM 567 CG ASP A 42 34.821 6.601 -2.737 1.00 0.00 C ATOM 568 OD1 ASP A 42 35.787 7.333 -2.105 1.00 0.00 O ATOM 569 OD2 ASP A 42 34.158 5.717 -2.203 1.00 0.00 O ATOM 0 H ASP A 42 32.209 6.621 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 42 33.866 8.997 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.330 6.135 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 42 35.611 7.318 -4.596 1.00 0.00 H new ATOM 574 N GLY A 43 33.531 10.009 -6.087 1.00 0.00 N ATOM 575 CA GLY A 43 33.113 10.606 -7.385 1.00 0.00 C ATOM 576 C GLY A 43 32.282 11.900 -7.245 1.00 0.00 C ATOM 577 O GLY A 43 32.623 12.911 -7.860 1.00 0.00 O ATOM 0 H GLY A 43 33.680 10.690 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.003 10.820 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.530 9.871 -7.940 1.00 0.00 H new ATOM 581 N PHE A 44 31.195 11.871 -6.451 1.00 0.00 N ATOM 582 CA PHE A 44 30.383 13.081 -6.158 1.00 0.00 C ATOM 583 C PHE A 44 30.953 13.889 -4.941 1.00 0.00 C ATOM 584 O PHE A 44 31.246 13.335 -3.876 1.00 0.00 O ATOM 585 CB PHE A 44 28.915 12.616 -5.940 1.00 0.00 C ATOM 586 CG PHE A 44 27.897 13.764 -5.807 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.375 14.395 -6.942 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.549 14.241 -4.540 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.516 15.482 -6.809 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.704 15.338 -4.407 1.00 0.00 C ATOM 591 CZ PHE A 44 26.181 15.952 -5.543 1.00 0.00 C ATOM 0 H PHE A 44 30.853 11.024 -5.997 1.00 0.00 H new ATOM 0 HA PHE A 44 30.423 13.777 -6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.620 11.980 -6.775 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.871 12.002 -5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.640 14.037 -7.926 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.939 13.754 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.110 15.960 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.454 15.713 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.514 16.795 -5.441 1.00 0.00 H new ATOM 601 N ASN A 45 31.037 15.221 -5.090 1.00 0.00 N ATOM 602 CA ASN A 45 31.381 16.153 -3.989 1.00 0.00 C ATOM 603 C ASN A 45 30.185 16.408 -3.007 1.00 0.00 C ATOM 604 O ASN A 45 29.211 17.078 -3.354 1.00 0.00 O ATOM 605 CB ASN A 45 31.957 17.444 -4.638 1.00 0.00 C ATOM 606 CG ASN A 45 31.059 18.254 -5.594 1.00 0.00 C ATOM 607 OD1 ASN A 45 30.794 17.851 -6.721 1.00 0.00 O ATOM 608 ND2 ASN A 45 30.563 19.398 -5.189 1.00 0.00 N ATOM 0 H ASN A 45 30.868 15.690 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 45 32.138 15.711 -3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 45 32.267 18.109 -3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 45 32.857 17.166 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.964 19.942 -5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.776 19.744 -4.253 1.00 0.00 H new ATOM 615 N TYR A 46 30.264 15.871 -1.780 1.00 0.00 N ATOM 616 CA TYR A 46 29.205 16.046 -0.740 1.00 0.00 C ATOM 617 C TYR A 46 29.512 17.243 0.223 1.00 0.00 C ATOM 618 O TYR A 46 30.677 17.550 0.501 1.00 0.00 O ATOM 619 CB TYR A 46 29.064 14.714 0.055 1.00 0.00 C ATOM 620 CG TYR A 46 28.484 13.508 -0.709 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.100 13.326 -0.804 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.338 12.561 -1.282 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.582 12.201 -1.441 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.817 11.441 -1.924 1.00 0.00 C ATOM 625 CZ TYR A 46 27.440 11.248 -1.983 1.00 0.00 C ATOM 626 OH TYR A 46 26.953 10.092 -2.539 1.00 0.00 O ATOM 0 H TYR A 46 31.053 15.304 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 46 28.265 16.287 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.049 14.437 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.433 14.902 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.431 14.061 -0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.408 12.699 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.513 12.068 -1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.482 10.721 -2.377 1.00 0.00 H new ATOM 0 HH TYR A 46 26.081 9.881 -2.144 1.00 0.00 H new ATOM 636 N SER A 47 28.473 17.902 0.785 1.00 0.00 N ATOM 637 CA SER A 47 28.670 18.974 1.810 1.00 0.00 C ATOM 638 C SER A 47 29.190 18.455 3.196 1.00 0.00 C ATOM 639 O SER A 47 29.012 17.285 3.554 1.00 0.00 O ATOM 640 CB SER A 47 27.383 19.839 1.927 1.00 0.00 C ATOM 641 OG SER A 47 26.357 19.224 2.714 1.00 0.00 O ATOM 0 H SER A 47 27.496 17.719 0.555 1.00 0.00 H new ATOM 0 HA SER A 47 29.482 19.609 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.640 20.803 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.995 20.038 0.928 1.00 0.00 H new ATOM 0 HG SER A 47 25.820 19.918 3.151 1.00 0.00 H new ATOM 647 N ASP A 48 29.828 19.337 3.993 1.00 0.00 N ATOM 648 CA ASP A 48 30.432 18.966 5.310 1.00 0.00 C ATOM 649 C ASP A 48 29.474 18.290 6.363 1.00 0.00 C ATOM 650 O ASP A 48 29.889 17.243 6.870 1.00 0.00 O ATOM 651 CB ASP A 48 31.199 20.175 5.913 1.00 0.00 C ATOM 652 CG ASP A 48 32.411 20.651 5.110 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.546 19.952 5.412 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.350 21.556 4.283 1.00 0.00 O ATOM 0 H ASP A 48 29.944 20.322 3.753 1.00 0.00 H new ATOM 0 HA ASP A 48 31.129 18.162 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.504 21.008 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.531 19.909 6.916 1.00 0.00 H new ATOM 659 N PRO A 49 28.230 18.753 6.704 1.00 0.00 N ATOM 660 CA PRO A 49 27.287 17.960 7.544 1.00 0.00 C ATOM 661 C PRO A 49 26.683 16.662 6.911 1.00 0.00 C ATOM 662 O PRO A 49 26.373 15.736 7.660 1.00 0.00 O ATOM 663 CB PRO A 49 26.244 19.009 7.957 1.00 0.00 C ATOM 664 CG PRO A 49 26.272 20.078 6.867 1.00 0.00 C ATOM 665 CD PRO A 49 27.655 20.023 6.220 1.00 0.00 C ATOM 0 HA PRO A 49 27.806 17.497 8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.253 18.563 8.041 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.484 19.437 8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.493 19.894 6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.084 21.065 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.587 20.041 5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.267 20.875 6.515 1.00 0.00 H new ATOM 673 N MET A 50 26.558 16.549 5.573 1.00 0.00 N ATOM 674 CA MET A 50 26.342 15.237 4.887 1.00 0.00 C ATOM 675 C MET A 50 27.526 14.221 5.055 1.00 0.00 C ATOM 676 O MET A 50 27.287 13.070 5.429 1.00 0.00 O ATOM 677 CB MET A 50 25.956 15.542 3.413 1.00 0.00 C ATOM 678 CG MET A 50 25.610 14.316 2.541 1.00 0.00 C ATOM 679 SD MET A 50 24.359 13.270 3.312 1.00 0.00 S ATOM 680 CE MET A 50 22.855 14.098 2.778 1.00 0.00 C ATOM 0 H MET A 50 26.601 17.345 4.937 1.00 0.00 H new ATOM 0 HA MET A 50 25.524 14.702 5.369 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.100 16.217 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.782 16.076 2.944 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.252 14.653 1.568 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.512 13.731 2.363 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.997 13.658 3.287 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.917 15.159 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.737 13.980 1.701 1.00 0.00 H new ATOM 690 N LYS A 51 28.785 14.647 4.839 1.00 0.00 N ATOM 691 CA LYS A 51 29.999 13.856 5.208 1.00 0.00 C ATOM 692 C LYS A 51 30.141 13.492 6.726 1.00 0.00 C ATOM 693 O LYS A 51 30.412 12.332 7.047 1.00 0.00 O ATOM 694 CB LYS A 51 31.264 14.581 4.664 1.00 0.00 C ATOM 695 CG LYS A 51 31.359 14.702 3.122 1.00 0.00 C ATOM 696 CD LYS A 51 32.592 15.477 2.607 1.00 0.00 C ATOM 697 CE LYS A 51 33.959 14.781 2.751 1.00 0.00 C ATOM 698 NZ LYS A 51 34.086 13.625 1.838 1.00 0.00 N ATOM 0 H LYS A 51 29.001 15.545 4.406 1.00 0.00 H new ATOM 0 HA LYS A 51 29.882 12.882 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.298 15.583 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.146 14.051 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.372 13.700 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.459 15.194 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.435 15.703 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.639 16.430 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 51 34.755 15.497 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 51 34.090 14.447 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 35.019 13.183 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.342 12.930 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.986 13.947 0.854 1.00 0.00 H new ATOM 711 N ALA A 52 29.931 14.448 7.649 1.00 0.00 N ATOM 712 CA ALA A 52 29.915 14.177 9.112 1.00 0.00 C ATOM 713 C ALA A 52 28.696 13.406 9.729 1.00 0.00 C ATOM 714 O ALA A 52 28.811 12.953 10.871 1.00 0.00 O ATOM 715 CB ALA A 52 30.078 15.555 9.773 1.00 0.00 C ATOM 0 H ALA A 52 29.768 15.427 7.412 1.00 0.00 H new ATOM 0 HA ALA A 52 30.716 13.464 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.076 15.441 10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.021 16.001 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.253 16.202 9.475 1.00 0.00 H new ATOM 721 N HIS A 53 27.558 13.235 9.022 1.00 0.00 N ATOM 722 CA HIS A 53 26.379 12.470 9.531 1.00 0.00 C ATOM 723 C HIS A 53 26.661 10.959 9.849 1.00 0.00 C ATOM 724 O HIS A 53 26.382 10.515 10.966 1.00 0.00 O ATOM 725 CB HIS A 53 25.210 12.702 8.529 1.00 0.00 C ATOM 726 CG HIS A 53 23.837 12.166 8.946 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.345 10.921 8.582 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.872 12.877 9.676 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.101 10.994 9.150 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.719 12.127 9.817 1.00 0.00 N ATOM 0 H HIS A 53 27.422 13.618 8.086 1.00 0.00 H new ATOM 0 HA HIS A 53 26.105 12.850 10.515 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.119 13.774 8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.480 12.245 7.577 1.00 0.00 H new ATOM 0 HD2 HIS A 53 23.011 13.872 10.073 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.422 10.158 9.072 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.840 12.352 10.282 1.00 0.00 H new ATOM 738 N GLY A 54 27.212 10.188 8.891 1.00 0.00 N ATOM 739 CA GLY A 54 27.583 8.769 9.129 1.00 0.00 C ATOM 740 C GLY A 54 26.439 7.730 9.066 1.00 0.00 C ATOM 741 O GLY A 54 25.260 8.044 8.876 1.00 0.00 O ATOM 0 H GLY A 54 27.412 10.518 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.338 8.488 8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.051 8.700 10.111 1.00 0.00 H new ATOM 745 N GLY A 55 26.817 6.453 9.214 1.00 0.00 N ATOM 746 CA GLY A 55 25.860 5.324 9.066 1.00 0.00 C ATOM 747 C GLY A 55 25.475 4.980 7.608 1.00 0.00 C ATOM 748 O GLY A 55 26.248 5.202 6.672 1.00 0.00 O ATOM 0 H GLY A 55 27.771 6.167 9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.292 4.438 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 55 24.952 5.563 9.619 1.00 0.00 H new ATOM 752 N ASP A 56 24.276 4.409 7.426 1.00 0.00 N ATOM 753 CA ASP A 56 23.795 3.938 6.094 1.00 0.00 C ATOM 754 C ASP A 56 22.348 4.433 5.795 1.00 0.00 C ATOM 755 O ASP A 56 21.531 4.656 6.697 1.00 0.00 O ATOM 756 CB ASP A 56 23.869 2.385 5.988 1.00 0.00 C ATOM 757 CG ASP A 56 25.274 1.764 6.068 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.961 1.790 7.085 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.677 1.186 4.895 1.00 0.00 O ATOM 0 H ASP A 56 23.609 4.256 8.182 1.00 0.00 H new ATOM 0 HA ASP A 56 24.458 4.369 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.260 1.958 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.415 2.084 5.044 1.00 0.00 H new ATOM 764 N TRP A 57 22.004 4.515 4.497 1.00 0.00 N ATOM 765 CA TRP A 57 20.618 4.805 4.038 1.00 0.00 C ATOM 766 C TRP A 57 19.664 3.574 4.170 1.00 0.00 C ATOM 767 O TRP A 57 19.276 2.917 3.201 1.00 0.00 O ATOM 768 CB TRP A 57 20.675 5.390 2.599 1.00 0.00 C ATOM 769 CG TRP A 57 21.192 6.830 2.494 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.400 7.225 1.883 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.670 7.980 3.069 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.628 8.603 2.037 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.564 9.043 2.799 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.553 8.183 3.922 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.365 10.309 3.395 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.385 9.436 4.509 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.281 10.482 4.254 1.00 0.00 C ATOM 0 H TRP A 57 22.669 4.384 3.735 1.00 0.00 H new ATOM 0 HA TRP A 57 20.177 5.553 4.696 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.311 4.748 1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.674 5.349 2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.066 6.553 1.362 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.404 9.154 1.669 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.850 7.385 4.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 22.040 11.127 3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.549 9.603 5.172 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.129 11.439 4.731 1.00 0.00 H new ATOM 788 N THR A 58 19.259 3.315 5.419 1.00 0.00 N ATOM 789 CA THR A 58 18.208 2.324 5.775 1.00 0.00 C ATOM 790 C THR A 58 16.762 2.838 5.415 1.00 0.00 C ATOM 791 O THR A 58 16.571 4.056 5.290 1.00 0.00 O ATOM 792 CB THR A 58 18.333 1.987 7.299 1.00 0.00 C ATOM 793 OG1 THR A 58 18.154 3.140 8.114 1.00 0.00 O ATOM 794 CG2 THR A 58 19.656 1.327 7.730 1.00 0.00 C ATOM 0 H THR A 58 19.652 3.790 6.232 1.00 0.00 H new ATOM 0 HA THR A 58 18.361 1.419 5.186 1.00 0.00 H new ATOM 0 HB THR A 58 17.536 1.259 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.237 2.890 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.635 1.137 8.803 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.783 0.385 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.488 1.991 7.495 1.00 0.00 H new ATOM 802 N PRO A 59 15.697 1.992 5.268 1.00 0.00 N ATOM 803 CA PRO A 59 14.316 2.485 4.973 1.00 0.00 C ATOM 804 C PRO A 59 13.671 3.501 5.981 1.00 0.00 C ATOM 805 O PRO A 59 12.982 4.425 5.544 1.00 0.00 O ATOM 806 CB PRO A 59 13.532 1.175 4.755 1.00 0.00 C ATOM 807 CG PRO A 59 14.334 0.079 5.458 1.00 0.00 C ATOM 808 CD PRO A 59 15.793 0.520 5.341 1.00 0.00 C ATOM 0 HA PRO A 59 14.311 3.146 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.527 1.249 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.424 0.958 3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.035 -0.022 6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.176 -0.891 4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.381 0.197 6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.270 0.103 4.454 1.00 0.00 H new ATOM 816 N GLU A 60 13.952 3.392 7.295 1.00 0.00 N ATOM 817 CA GLU A 60 13.657 4.471 8.285 1.00 0.00 C ATOM 818 C GLU A 60 14.493 5.791 8.108 1.00 0.00 C ATOM 819 O GLU A 60 13.897 6.872 8.114 1.00 0.00 O ATOM 820 CB GLU A 60 13.764 3.853 9.706 1.00 0.00 C ATOM 821 CG GLU A 60 13.207 4.749 10.843 1.00 0.00 C ATOM 822 CD GLU A 60 13.263 4.097 12.222 1.00 0.00 C ATOM 823 OE1 GLU A 60 14.495 4.219 12.799 1.00 0.00 O ATOM 824 OE2 GLU A 60 12.305 3.533 12.742 1.00 0.00 O ATOM 0 H GLU A 60 14.386 2.566 7.706 1.00 0.00 H new ATOM 0 HA GLU A 60 12.642 4.828 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.230 2.903 9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.811 3.633 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.772 5.681 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.173 5.009 10.615 1.00 0.00 H new ATOM 831 N ALA A 61 15.833 5.730 7.930 1.00 0.00 N ATOM 832 CA ALA A 61 16.653 6.921 7.554 1.00 0.00 C ATOM 833 C ALA A 61 16.263 7.636 6.215 1.00 0.00 C ATOM 834 O ALA A 61 16.144 8.865 6.194 1.00 0.00 O ATOM 835 CB ALA A 61 18.129 6.479 7.566 1.00 0.00 C ATOM 0 H ALA A 61 16.375 4.873 8.039 1.00 0.00 H new ATOM 0 HA ALA A 61 16.454 7.699 8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.764 7.323 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.396 6.129 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.273 5.672 6.848 1.00 0.00 H new ATOM 841 N LEU A 62 15.999 6.877 5.132 1.00 0.00 N ATOM 842 CA LEU A 62 15.331 7.403 3.907 1.00 0.00 C ATOM 843 C LEU A 62 13.902 7.998 4.130 1.00 0.00 C ATOM 844 O LEU A 62 13.659 9.103 3.645 1.00 0.00 O ATOM 845 CB LEU A 62 15.311 6.299 2.811 1.00 0.00 C ATOM 846 CG LEU A 62 16.673 5.920 2.174 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.542 4.606 1.392 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.204 7.019 1.233 1.00 0.00 C ATOM 0 H LEU A 62 16.238 5.887 5.074 1.00 0.00 H new ATOM 0 HA LEU A 62 15.929 8.255 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.877 5.398 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.642 6.624 2.014 1.00 0.00 H new ATOM 0 HG LEU A 62 17.386 5.803 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.504 4.349 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.230 3.810 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.799 4.725 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.160 6.707 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.489 7.185 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.339 7.944 1.794 1.00 0.00 H new ATOM 860 N GLN A 63 12.975 7.353 4.874 1.00 0.00 N ATOM 861 CA GLN A 63 11.700 8.008 5.300 1.00 0.00 C ATOM 862 C GLN A 63 11.841 9.348 6.097 1.00 0.00 C ATOM 863 O GLN A 63 11.125 10.302 5.781 1.00 0.00 O ATOM 864 CB GLN A 63 10.763 7.016 6.041 1.00 0.00 C ATOM 865 CG GLN A 63 9.968 6.048 5.122 1.00 0.00 C ATOM 866 CD GLN A 63 8.548 5.757 5.617 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.700 6.646 5.668 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.242 4.540 5.994 1.00 0.00 N ATOM 0 H GLN A 63 13.076 6.390 5.193 1.00 0.00 H new ATOM 0 HA GLN A 63 11.243 8.305 4.356 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.361 6.425 6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.054 7.588 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.914 6.474 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.514 5.108 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.944 3.801 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.302 4.331 6.329 1.00 0.00 H new ATOM 877 N GLU A 64 12.757 9.452 7.077 1.00 0.00 N ATOM 878 CA GLU A 64 13.109 10.752 7.723 1.00 0.00 C ATOM 879 C GLU A 64 13.691 11.822 6.736 1.00 0.00 C ATOM 880 O GLU A 64 13.116 12.909 6.616 1.00 0.00 O ATOM 881 CB GLU A 64 14.049 10.494 8.939 1.00 0.00 C ATOM 882 CG GLU A 64 13.443 9.734 10.147 1.00 0.00 C ATOM 883 CD GLU A 64 12.327 10.475 10.882 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.807 11.326 11.831 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.134 10.326 10.641 1.00 0.00 O ATOM 0 H GLU A 64 13.274 8.655 7.447 1.00 0.00 H new ATOM 0 HA GLU A 64 12.179 11.197 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.914 9.934 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.416 11.457 9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.055 8.777 9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.241 9.514 10.856 1.00 0.00 H new ATOM 892 N PHE A 65 14.792 11.523 6.019 1.00 0.00 N ATOM 893 CA PHE A 65 15.391 12.454 5.016 1.00 0.00 C ATOM 894 C PHE A 65 14.484 12.835 3.798 1.00 0.00 C ATOM 895 O PHE A 65 14.469 14.000 3.405 1.00 0.00 O ATOM 896 CB PHE A 65 16.751 11.839 4.593 1.00 0.00 C ATOM 897 CG PHE A 65 17.672 12.762 3.777 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.400 13.770 4.418 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.811 12.588 2.396 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.240 14.603 3.685 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.660 13.418 1.667 1.00 0.00 C ATOM 902 CZ PHE A 65 19.366 14.431 2.309 1.00 0.00 C ATOM 0 H PHE A 65 15.295 10.640 6.110 1.00 0.00 H new ATOM 0 HA PHE A 65 15.521 13.426 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.283 11.526 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.557 10.940 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.310 13.902 5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.259 11.808 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.795 15.384 4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.770 13.275 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 65 20.012 15.084 1.740 1.00 0.00 H new ATOM 912 N LEU A 66 13.716 11.902 3.212 1.00 0.00 N ATOM 913 CA LEU A 66 12.682 12.244 2.194 1.00 0.00 C ATOM 914 C LEU A 66 11.398 12.954 2.746 1.00 0.00 C ATOM 915 O LEU A 66 10.766 13.675 1.975 1.00 0.00 O ATOM 916 CB LEU A 66 12.347 11.001 1.323 1.00 0.00 C ATOM 917 CG LEU A 66 13.525 10.307 0.580 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.029 9.054 -0.157 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.250 11.247 -0.397 1.00 0.00 C ATOM 0 H LEU A 66 13.783 10.905 3.418 1.00 0.00 H new ATOM 0 HA LEU A 66 13.135 13.009 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.870 10.260 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.609 11.301 0.579 1.00 0.00 H new ATOM 0 HG LEU A 66 14.251 10.019 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.865 8.580 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.601 8.355 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.268 9.337 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.062 10.708 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.546 11.603 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.657 12.097 0.150 1.00 0.00 H new ATOM 931 N THR A 67 11.029 12.834 4.041 1.00 0.00 N ATOM 932 CA THR A 67 10.039 13.743 4.699 1.00 0.00 C ATOM 933 C THR A 67 10.496 15.246 4.732 1.00 0.00 C ATOM 934 O THR A 67 9.728 16.105 4.296 1.00 0.00 O ATOM 935 CB THR A 67 9.662 13.199 6.113 1.00 0.00 C ATOM 936 OG1 THR A 67 9.202 11.854 6.046 1.00 0.00 O ATOM 937 CG2 THR A 67 8.524 13.963 6.800 1.00 0.00 C ATOM 0 H THR A 67 11.400 12.115 4.662 1.00 0.00 H new ATOM 0 HA THR A 67 9.140 13.742 4.083 1.00 0.00 H new ATOM 0 HB THR A 67 10.587 13.309 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.899 11.253 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.326 13.520 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.811 15.007 6.926 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.625 13.906 6.186 1.00 0.00 H new ATOM 945 N ASN A 68 11.710 15.570 5.227 1.00 0.00 N ATOM 946 CA ASN A 68 12.326 16.915 5.041 1.00 0.00 C ATOM 947 C ASN A 68 13.894 16.763 5.046 1.00 0.00 C ATOM 948 O ASN A 68 14.442 16.445 6.111 1.00 0.00 O ATOM 949 CB ASN A 68 11.807 17.913 6.114 1.00 0.00 C ATOM 950 CG ASN A 68 12.208 19.379 5.869 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.365 19.722 5.649 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.280 20.301 5.925 1.00 0.00 N ATOM 0 H ASN A 68 12.289 14.922 5.760 1.00 0.00 H new ATOM 0 HA ASN A 68 12.034 17.335 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.720 17.849 6.156 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.182 17.605 7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.526 21.281 5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.311 20.039 6.107 1.00 0.00 H new ATOM 959 N PRO A 69 14.663 16.998 3.940 1.00 0.00 N ATOM 960 CA PRO A 69 16.135 16.754 3.932 1.00 0.00 C ATOM 961 C PRO A 69 17.024 17.791 4.686 1.00 0.00 C ATOM 962 O PRO A 69 17.895 17.397 5.465 1.00 0.00 O ATOM 963 CB PRO A 69 16.428 16.620 2.427 1.00 0.00 C ATOM 964 CG PRO A 69 15.356 17.447 1.720 1.00 0.00 C ATOM 965 CD PRO A 69 14.114 17.316 2.604 1.00 0.00 C ATOM 0 HA PRO A 69 16.404 15.872 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.426 16.987 2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.389 15.577 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.662 18.488 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.167 17.072 0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.535 18.239 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.450 16.529 2.247 1.00 0.00 H new ATOM 973 N LYS A 70 16.785 19.095 4.472 1.00 0.00 N ATOM 974 CA LYS A 70 17.476 20.197 5.210 1.00 0.00 C ATOM 975 C LYS A 70 17.158 20.325 6.741 1.00 0.00 C ATOM 976 O LYS A 70 18.038 20.751 7.493 1.00 0.00 O ATOM 977 CB LYS A 70 17.253 21.532 4.447 1.00 0.00 C ATOM 978 CG LYS A 70 17.976 21.632 3.079 1.00 0.00 C ATOM 979 CD LYS A 70 17.732 22.978 2.372 1.00 0.00 C ATOM 980 CE LYS A 70 18.521 23.081 1.057 1.00 0.00 C ATOM 981 NZ LYS A 70 18.206 24.341 0.359 1.00 0.00 N ATOM 0 H LYS A 70 16.109 19.429 3.785 1.00 0.00 H new ATOM 0 HA LYS A 70 18.533 19.930 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.183 21.667 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.587 22.355 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.047 21.494 3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.637 20.821 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.668 23.094 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.020 23.794 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.590 23.031 1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.280 22.234 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.749 24.392 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.189 24.374 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.458 25.147 0.966 1.00 0.00 H new ATOM 994 N ALA A 71 15.962 19.934 7.227 1.00 0.00 N ATOM 995 CA ALA A 71 15.731 19.682 8.678 1.00 0.00 C ATOM 996 C ALA A 71 16.501 18.465 9.299 1.00 0.00 C ATOM 997 O ALA A 71 17.010 18.586 10.416 1.00 0.00 O ATOM 998 CB ALA A 71 14.211 19.546 8.882 1.00 0.00 C ATOM 0 H ALA A 71 15.139 19.784 6.644 1.00 0.00 H new ATOM 0 HA ALA A 71 16.148 20.530 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.000 19.360 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.718 20.467 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.837 18.714 8.285 1.00 0.00 H new ATOM 1004 N VAL A 72 16.602 17.316 8.598 1.00 0.00 N ATOM 1005 CA VAL A 72 17.422 16.146 9.052 1.00 0.00 C ATOM 1006 C VAL A 72 18.965 16.426 8.969 1.00 0.00 C ATOM 1007 O VAL A 72 19.647 16.321 9.992 1.00 0.00 O ATOM 1008 CB VAL A 72 16.950 14.834 8.325 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.836 13.589 8.586 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.508 14.426 8.706 1.00 0.00 C ATOM 0 H VAL A 72 16.127 17.162 7.709 1.00 0.00 H new ATOM 0 HA VAL A 72 17.246 15.984 10.115 1.00 0.00 H new ATOM 0 HB VAL A 72 17.023 15.113 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.432 12.734 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.852 13.788 8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.848 13.368 9.653 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.235 13.514 8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.451 14.251 9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.819 15.225 8.432 1.00 0.00 H new ATOM 1020 N VAL A 73 19.515 16.765 7.786 1.00 0.00 N ATOM 1021 CA VAL A 73 20.940 17.191 7.655 1.00 0.00 C ATOM 1022 C VAL A 73 20.948 18.748 7.513 1.00 0.00 C ATOM 1023 O VAL A 73 20.701 19.289 6.428 1.00 0.00 O ATOM 1024 CB VAL A 73 21.668 16.457 6.476 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.149 16.885 6.347 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.660 14.913 6.578 1.00 0.00 C ATOM 0 H VAL A 73 19.003 16.755 6.904 1.00 0.00 H new ATOM 0 HA VAL A 73 21.509 16.907 8.540 1.00 0.00 H new ATOM 0 HB VAL A 73 21.088 16.758 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.611 16.350 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.203 17.958 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.678 16.649 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.185 14.489 5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.159 14.607 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.631 14.554 6.587 1.00 0.00 H new ATOM 1036 N LYS A 74 21.278 19.468 8.601 1.00 0.00 N ATOM 1037 CA LYS A 74 21.340 20.958 8.594 1.00 0.00 C ATOM 1038 C LYS A 74 22.596 21.475 7.813 1.00 0.00 C ATOM 1039 O LYS A 74 23.719 21.464 8.325 1.00 0.00 O ATOM 1040 CB LYS A 74 21.257 21.434 10.068 1.00 0.00 C ATOM 1041 CG LYS A 74 21.052 22.959 10.239 1.00 0.00 C ATOM 1042 CD LYS A 74 20.928 23.427 11.704 1.00 0.00 C ATOM 1043 CE LYS A 74 19.602 23.036 12.380 1.00 0.00 C ATOM 1044 NZ LYS A 74 19.544 23.606 13.741 1.00 0.00 N ATOM 0 H LYS A 74 21.508 19.049 9.502 1.00 0.00 H new ATOM 0 HA LYS A 74 20.499 21.389 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.436 20.912 10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.173 21.143 10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.889 23.480 9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.153 23.255 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.754 23.008 12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.034 24.511 11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.761 23.399 11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.514 21.951 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.646 23.338 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.337 23.240 14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.608 24.643 13.686 1.00 0.00 H new ATOM 1057 N GLY A 75 22.385 21.877 6.548 1.00 0.00 N ATOM 1058 CA GLY A 75 23.491 22.107 5.573 1.00 0.00 C ATOM 1059 C GLY A 75 23.745 21.042 4.471 1.00 0.00 C ATOM 1060 O GLY A 75 24.836 21.024 3.888 1.00 0.00 O ATOM 0 H GLY A 75 21.456 22.053 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.302 23.059 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.414 22.222 6.141 1.00 0.00 H new ATOM 1064 N THR A 76 22.760 20.195 4.120 1.00 0.00 N ATOM 1065 CA THR A 76 22.758 19.466 2.820 1.00 0.00 C ATOM 1066 C THR A 76 22.399 20.422 1.643 1.00 0.00 C ATOM 1067 O THR A 76 21.404 21.153 1.687 1.00 0.00 O ATOM 1068 CB THR A 76 21.865 18.191 2.854 1.00 0.00 C ATOM 1069 OG1 THR A 76 22.010 17.450 1.647 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.353 18.393 3.046 1.00 0.00 C ATOM 0 H THR A 76 21.953 19.993 4.711 1.00 0.00 H new ATOM 0 HA THR A 76 23.772 19.107 2.645 1.00 0.00 H new ATOM 0 HB THR A 76 22.233 17.678 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 76 22.929 17.116 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.854 17.424 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.171 18.899 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.960 18.999 2.230 1.00 0.00 H new ATOM 1078 N LYS A 77 23.188 20.370 0.562 1.00 0.00 N ATOM 1079 CA LYS A 77 22.859 21.097 -0.706 1.00 0.00 C ATOM 1080 C LYS A 77 21.753 20.468 -1.633 1.00 0.00 C ATOM 1081 O LYS A 77 21.615 20.871 -2.792 1.00 0.00 O ATOM 1082 CB LYS A 77 24.199 21.417 -1.424 1.00 0.00 C ATOM 1083 CG LYS A 77 24.973 20.222 -2.028 1.00 0.00 C ATOM 1084 CD LYS A 77 26.417 20.596 -2.411 1.00 0.00 C ATOM 1085 CE LYS A 77 27.227 19.419 -2.973 1.00 0.00 C ATOM 1086 NZ LYS A 77 26.967 19.206 -4.410 1.00 0.00 N ATOM 0 H LYS A 77 24.058 19.839 0.524 1.00 0.00 H new ATOM 0 HA LYS A 77 22.345 22.017 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.993 22.127 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.853 21.920 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 77 24.990 19.403 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.447 19.860 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.392 21.396 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.927 20.991 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 77 28.290 19.605 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.979 18.512 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.764 18.200 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 26.150 19.779 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 27.803 19.488 -4.960 1.00 0.00 H new ATOM 1099 N MET A 78 20.924 19.536 -1.122 1.00 0.00 N ATOM 1100 CA MET A 78 19.745 19.003 -1.841 1.00 0.00 C ATOM 1101 C MET A 78 18.547 20.001 -1.771 1.00 0.00 C ATOM 1102 O MET A 78 17.816 20.055 -0.775 1.00 0.00 O ATOM 1103 CB MET A 78 19.432 17.598 -1.258 1.00 0.00 C ATOM 1104 CG MET A 78 18.190 16.938 -1.887 1.00 0.00 C ATOM 1105 SD MET A 78 18.363 15.119 -2.015 1.00 0.00 S ATOM 1106 CE MET A 78 16.860 14.714 -1.055 1.00 0.00 C ATOM 0 H MET A 78 21.052 19.129 -0.196 1.00 0.00 H new ATOM 0 HA MET A 78 19.948 18.892 -2.906 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.295 16.949 -1.409 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.283 17.684 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.311 17.176 -1.288 1.00 0.00 H new ATOM 0 HG3 MET A 78 18.022 17.356 -2.880 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.842 13.645 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.865 15.271 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.976 14.984 -1.633 1.00 0.00 H new ATOM 1116 N ALA A 79 18.320 20.747 -2.867 1.00 0.00 N ATOM 1117 CA ALA A 79 17.170 21.684 -2.979 1.00 0.00 C ATOM 1118 C ALA A 79 15.799 20.975 -3.269 1.00 0.00 C ATOM 1119 O ALA A 79 15.214 21.074 -4.352 1.00 0.00 O ATOM 1120 CB ALA A 79 17.589 22.727 -4.034 1.00 0.00 C ATOM 0 H ALA A 79 18.916 20.724 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 79 16.964 22.170 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.786 23.452 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.490 23.241 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.788 22.226 -4.982 1.00 0.00 H new ATOM 1126 N PHE A 80 15.294 20.265 -2.249 1.00 0.00 N ATOM 1127 CA PHE A 80 14.018 19.509 -2.301 1.00 0.00 C ATOM 1128 C PHE A 80 13.244 19.774 -0.971 1.00 0.00 C ATOM 1129 O PHE A 80 13.785 19.591 0.124 1.00 0.00 O ATOM 1130 CB PHE A 80 14.352 18.004 -2.530 1.00 0.00 C ATOM 1131 CG PHE A 80 13.135 17.077 -2.691 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.407 17.068 -3.885 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.712 16.276 -1.624 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.258 16.290 -4.002 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.564 15.497 -1.743 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.830 15.516 -2.927 1.00 0.00 C ATOM 0 H PHE A 80 15.763 20.194 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 80 13.376 19.827 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.973 17.918 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.949 17.650 -1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.738 17.667 -4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.278 16.262 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.699 16.287 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.243 14.878 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.927 14.929 -3.011 1.00 0.00 H new ATOM 1146 N ALA A 81 11.964 20.174 -1.059 1.00 0.00 N ATOM 1147 CA ALA A 81 11.126 20.430 0.145 1.00 0.00 C ATOM 1148 C ALA A 81 10.753 19.169 0.995 1.00 0.00 C ATOM 1149 O ALA A 81 11.003 19.162 2.204 1.00 0.00 O ATOM 1150 CB ALA A 81 9.898 21.236 -0.323 1.00 0.00 C ATOM 0 H ALA A 81 11.480 20.329 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 81 11.719 21.001 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.254 21.446 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.227 22.174 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.343 20.658 -1.062 1.00 0.00 H new ATOM 1156 N GLY A 82 10.165 18.123 0.385 1.00 0.00 N ATOM 1157 CA GLY A 82 9.765 16.900 1.124 1.00 0.00 C ATOM 1158 C GLY A 82 8.585 16.105 0.525 1.00 0.00 C ATOM 1159 O GLY A 82 7.727 16.628 -0.192 1.00 0.00 O ATOM 0 H GLY A 82 9.955 18.095 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.629 16.238 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.506 17.184 2.144 1.00 0.00 H new ATOM 1163 N LEU A 83 8.522 14.824 0.902 1.00 0.00 N ATOM 1164 CA LEU A 83 7.371 13.929 0.619 1.00 0.00 C ATOM 1165 C LEU A 83 6.537 13.737 1.941 1.00 0.00 C ATOM 1166 O LEU A 83 6.899 12.863 2.743 1.00 0.00 O ATOM 1167 CB LEU A 83 7.893 12.570 0.061 1.00 0.00 C ATOM 1168 CG LEU A 83 8.590 12.544 -1.324 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.099 11.126 -1.642 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.674 13.012 -2.466 1.00 0.00 C ATOM 0 H LEU A 83 9.272 14.364 1.419 1.00 0.00 H new ATOM 0 HA LEU A 83 6.719 14.368 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.594 12.162 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.046 11.886 0.016 1.00 0.00 H new ATOM 0 HG LEU A 83 9.424 13.243 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.586 11.124 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.814 10.816 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.259 10.432 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.219 12.971 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.801 12.361 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.351 14.036 -2.277 1.00 0.00 H new ATOM 1182 N PRO A 84 5.427 14.485 2.228 1.00 0.00 N ATOM 1183 CA PRO A 84 4.629 14.298 3.480 1.00 0.00 C ATOM 1184 C PRO A 84 3.817 12.966 3.630 1.00 0.00 C ATOM 1185 O PRO A 84 3.719 12.435 4.740 1.00 0.00 O ATOM 1186 CB PRO A 84 3.759 15.571 3.507 1.00 0.00 C ATOM 1187 CG PRO A 84 3.630 16.011 2.047 1.00 0.00 C ATOM 1188 CD PRO A 84 4.970 15.634 1.417 1.00 0.00 C ATOM 0 HA PRO A 84 5.284 14.178 4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.781 15.368 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.223 16.350 4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.801 15.505 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.442 17.082 1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.857 15.364 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.679 16.461 1.459 1.00 0.00 H new ATOM 1196 N LYS A 85 3.281 12.409 2.531 1.00 0.00 N ATOM 1197 CA LYS A 85 2.533 11.125 2.535 1.00 0.00 C ATOM 1198 C LYS A 85 3.490 9.890 2.630 1.00 0.00 C ATOM 1199 O LYS A 85 4.444 9.751 1.854 1.00 0.00 O ATOM 1200 CB LYS A 85 1.665 11.043 1.243 1.00 0.00 C ATOM 1201 CG LYS A 85 0.344 11.851 1.198 1.00 0.00 C ATOM 1202 CD LYS A 85 0.506 13.384 1.085 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.809 14.157 0.880 1.00 0.00 C ATOM 1204 NZ LYS A 85 -1.299 14.044 -0.510 1.00 0.00 N ATOM 0 H LYS A 85 3.351 12.833 1.606 1.00 0.00 H new ATOM 0 HA LYS A 85 1.894 11.099 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.283 11.367 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.420 9.995 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.246 11.502 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.228 11.629 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.991 13.752 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.175 13.605 0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.566 13.775 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.656 15.207 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.186 14.577 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.587 14.431 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.469 13.044 -0.738 1.00 0.00 H new ATOM 1217 N ILE A 86 3.181 8.954 3.549 1.00 0.00 N ATOM 1218 CA ILE A 86 3.872 7.627 3.635 1.00 0.00 C ATOM 1219 C ILE A 86 3.856 6.762 2.330 1.00 0.00 C ATOM 1220 O ILE A 86 4.912 6.250 1.959 1.00 0.00 O ATOM 1221 CB ILE A 86 3.429 6.844 4.925 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.335 5.601 5.176 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.928 6.445 4.946 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.283 4.998 6.589 1.00 0.00 C ATOM 0 H ILE A 86 2.454 9.083 4.252 1.00 0.00 H new ATOM 0 HA ILE A 86 4.932 7.859 3.734 1.00 0.00 H new ATOM 0 HB ILE A 86 3.560 7.551 5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.058 4.825 4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.366 5.880 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.707 5.909 5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.312 7.343 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.710 5.803 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.953 4.140 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.594 5.748 7.316 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.265 4.677 6.811 1.00 0.00 H new ATOM 1236 N GLU A 87 2.716 6.628 1.627 1.00 0.00 N ATOM 1237 CA GLU A 87 2.645 5.942 0.303 1.00 0.00 C ATOM 1238 C GLU A 87 3.644 6.434 -0.796 1.00 0.00 C ATOM 1239 O GLU A 87 4.297 5.601 -1.420 1.00 0.00 O ATOM 1240 CB GLU A 87 1.167 5.893 -0.178 1.00 0.00 C ATOM 1241 CG GLU A 87 0.455 7.241 -0.479 1.00 0.00 C ATOM 1242 CD GLU A 87 -1.008 7.075 -0.879 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.157 6.883 -2.222 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.935 7.110 -0.074 1.00 0.00 O ATOM 0 H GLU A 87 1.817 6.987 1.950 1.00 0.00 H new ATOM 0 HA GLU A 87 3.006 4.928 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.130 5.286 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.585 5.370 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.513 7.879 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.987 7.754 -1.280 1.00 0.00 H new ATOM 1251 N ASP A 88 3.838 7.752 -0.989 1.00 0.00 N ATOM 1252 CA ASP A 88 4.920 8.296 -1.869 1.00 0.00 C ATOM 1253 C ASP A 88 6.378 7.898 -1.453 1.00 0.00 C ATOM 1254 O ASP A 88 7.162 7.501 -2.317 1.00 0.00 O ATOM 1255 CB ASP A 88 4.784 9.841 -1.991 1.00 0.00 C ATOM 1256 CG ASP A 88 3.494 10.343 -2.652 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.397 10.288 -2.103 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.704 10.849 -3.904 1.00 0.00 O ATOM 0 H ASP A 88 3.264 8.472 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 88 4.770 7.825 -2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.852 10.274 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.633 10.219 -2.560 1.00 0.00 H new ATOM 1263 N ARG A 89 6.724 7.967 -0.154 1.00 0.00 N ATOM 1264 CA ARG A 89 8.019 7.444 0.374 1.00 0.00 C ATOM 1265 C ARG A 89 8.161 5.885 0.298 1.00 0.00 C ATOM 1266 O ARG A 89 9.133 5.396 -0.277 1.00 0.00 O ATOM 1267 CB ARG A 89 8.260 7.953 1.823 1.00 0.00 C ATOM 1268 CG ARG A 89 8.162 9.483 2.059 1.00 0.00 C ATOM 1269 CD ARG A 89 8.623 9.973 3.445 1.00 0.00 C ATOM 1270 NE ARG A 89 7.848 9.350 4.559 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.795 9.882 5.172 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.292 11.052 4.880 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.231 9.183 6.111 1.00 0.00 N ATOM 0 H ARG A 89 6.127 8.381 0.562 1.00 0.00 H new ATOM 0 HA ARG A 89 8.792 7.838 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.540 7.463 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.251 7.625 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.757 9.989 1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.127 9.790 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.682 9.747 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.519 11.057 3.496 1.00 0.00 H new ATOM 0 HE ARG A 89 8.155 8.431 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.710 11.617 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.481 11.400 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.599 8.263 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.420 9.554 6.606 1.00 0.00 H new ATOM 1287 N ALA A 90 7.203 5.114 0.850 1.00 0.00 N ATOM 1288 CA ALA A 90 7.170 3.631 0.764 1.00 0.00 C ATOM 1289 C ALA A 90 7.107 2.998 -0.665 1.00 0.00 C ATOM 1290 O ALA A 90 7.854 2.052 -0.929 1.00 0.00 O ATOM 1291 CB ALA A 90 5.983 3.198 1.645 1.00 0.00 C ATOM 0 H ALA A 90 6.420 5.503 1.375 1.00 0.00 H new ATOM 0 HA ALA A 90 8.131 3.250 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.896 2.112 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.148 3.535 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.064 3.641 1.261 1.00 0.00 H new ATOM 1297 N ASN A 91 6.287 3.528 -1.599 1.00 0.00 N ATOM 1298 CA ASN A 91 6.344 3.146 -3.040 1.00 0.00 C ATOM 1299 C ASN A 91 7.730 3.438 -3.720 1.00 0.00 C ATOM 1300 O ASN A 91 8.294 2.553 -4.370 1.00 0.00 O ATOM 1301 CB ASN A 91 5.190 3.831 -3.830 1.00 0.00 C ATOM 1302 CG ASN A 91 3.743 3.408 -3.538 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.434 2.303 -3.115 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.782 4.255 -3.816 1.00 0.00 N ATOM 0 H ASN A 91 5.573 4.225 -1.386 1.00 0.00 H new ATOM 0 HA ASN A 91 6.218 2.064 -3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.262 4.905 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.374 3.668 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.808 3.985 -3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.008 5.184 -4.170 1.00 0.00 H new ATOM 1311 N LEU A 92 8.289 4.655 -3.549 1.00 0.00 N ATOM 1312 CA LEU A 92 9.679 4.994 -3.969 1.00 0.00 C ATOM 1313 C LEU A 92 10.826 4.144 -3.325 1.00 0.00 C ATOM 1314 O LEU A 92 11.711 3.692 -4.052 1.00 0.00 O ATOM 1315 CB LEU A 92 9.840 6.521 -3.744 1.00 0.00 C ATOM 1316 CG LEU A 92 11.162 7.176 -4.216 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.383 7.058 -5.731 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.164 8.657 -3.824 1.00 0.00 C ATOM 0 H LEU A 92 7.795 5.435 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 92 9.799 4.726 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.016 7.025 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.729 6.718 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 92 11.975 6.640 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.325 7.536 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.416 6.006 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.564 7.549 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.094 9.120 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.320 9.160 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.080 8.747 -2.741 1.00 0.00 H new ATOM 1330 N ILE A 93 10.810 3.891 -2.002 1.00 0.00 N ATOM 1331 CA ILE A 93 11.751 2.937 -1.331 1.00 0.00 C ATOM 1332 C ILE A 93 11.593 1.457 -1.846 1.00 0.00 C ATOM 1333 O ILE A 93 12.619 0.841 -2.136 1.00 0.00 O ATOM 1334 CB ILE A 93 11.707 3.132 0.230 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.191 4.550 0.681 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.529 2.070 1.007 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.731 4.984 2.084 1.00 0.00 C ATOM 0 H ILE A 93 10.152 4.333 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 93 12.772 3.179 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 93 10.652 3.013 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.280 4.571 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.838 5.284 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.455 2.264 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.137 1.076 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.574 2.123 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.118 5.979 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.642 5.002 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.107 4.278 2.825 1.00 0.00 H new ATOM 1349 N ALA A 94 10.373 0.906 -2.049 1.00 0.00 N ATOM 1350 CA ALA A 94 10.175 -0.336 -2.857 1.00 0.00 C ATOM 1351 C ALA A 94 10.773 -0.331 -4.307 1.00 0.00 C ATOM 1352 O ALA A 94 11.425 -1.303 -4.699 1.00 0.00 O ATOM 1353 CB ALA A 94 8.670 -0.661 -2.879 1.00 0.00 C ATOM 0 H ALA A 94 9.510 1.295 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 94 10.754 -1.114 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.502 -1.565 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.317 -0.817 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.125 0.169 -3.329 1.00 0.00 H new ATOM 1359 N TYR A 95 10.607 0.761 -5.083 1.00 0.00 N ATOM 1360 CA TYR A 95 11.355 0.972 -6.355 1.00 0.00 C ATOM 1361 C TYR A 95 12.913 1.033 -6.221 1.00 0.00 C ATOM 1362 O TYR A 95 13.593 0.327 -6.964 1.00 0.00 O ATOM 1363 CB TYR A 95 10.736 2.194 -7.090 1.00 0.00 C ATOM 1364 CG TYR A 95 11.293 2.479 -8.496 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.213 1.510 -9.504 1.00 0.00 C ATOM 1366 CD2 TYR A 95 11.920 3.699 -8.765 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.793 1.743 -10.748 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.470 3.941 -10.021 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.422 2.957 -11.004 1.00 0.00 C ATOM 1370 OH TYR A 95 13.047 3.152 -12.206 1.00 0.00 O ATOM 0 H TYR A 95 9.961 1.517 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 95 11.230 0.077 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.660 2.040 -7.170 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.886 3.080 -6.473 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.700 0.579 -9.316 1.00 0.00 H new ATOM 0 HD2 TYR A 95 11.978 4.456 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.755 0.982 -11.513 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.934 4.893 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 95 13.926 2.719 -12.192 1.00 0.00 H new ATOM 1380 N LEU A 96 13.483 1.817 -5.291 1.00 0.00 N ATOM 1381 CA LEU A 96 14.951 1.806 -5.005 1.00 0.00 C ATOM 1382 C LEU A 96 15.534 0.487 -4.370 1.00 0.00 C ATOM 1383 O LEU A 96 16.712 0.195 -4.575 1.00 0.00 O ATOM 1384 CB LEU A 96 15.293 3.065 -4.162 1.00 0.00 C ATOM 1385 CG LEU A 96 14.994 4.461 -4.785 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.128 5.569 -3.726 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.905 4.769 -5.985 1.00 0.00 C ATOM 0 H LEU A 96 12.957 2.474 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 96 15.453 1.831 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.749 2.995 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.355 3.027 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 96 13.967 4.432 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.915 6.536 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.421 5.386 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.143 5.571 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.659 5.752 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.946 4.758 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.756 4.015 -6.758 1.00 0.00 H new ATOM 1399 N GLU A 97 14.735 -0.331 -3.655 1.00 0.00 N ATOM 1400 CA GLU A 97 15.038 -1.777 -3.403 1.00 0.00 C ATOM 1401 C GLU A 97 15.048 -2.701 -4.676 1.00 0.00 C ATOM 1402 O GLU A 97 15.870 -3.616 -4.745 1.00 0.00 O ATOM 1403 CB GLU A 97 14.044 -2.325 -2.341 1.00 0.00 C ATOM 1404 CG GLU A 97 14.242 -1.781 -0.904 1.00 0.00 C ATOM 1405 CD GLU A 97 13.163 -2.230 0.076 1.00 0.00 C ATOM 1406 OE1 GLU A 97 12.120 -1.616 0.276 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.490 -3.389 0.711 1.00 0.00 O ATOM 0 H GLU A 97 13.861 -0.020 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 97 16.066 -1.808 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.029 -2.092 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.128 -3.411 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.215 -2.105 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.260 -0.692 -0.937 1.00 0.00 H new ATOM 1414 N GLY A 98 14.183 -2.470 -5.684 1.00 0.00 N ATOM 1415 CA GLY A 98 14.393 -3.013 -7.059 1.00 0.00 C ATOM 1416 C GLY A 98 15.602 -2.459 -7.861 1.00 0.00 C ATOM 1417 O GLY A 98 16.355 -3.237 -8.449 1.00 0.00 O ATOM 0 H GLY A 98 13.333 -1.915 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.505 -4.095 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.489 -2.826 -7.638 1.00 0.00 H new ATOM 1421 N GLN A 99 15.798 -1.130 -7.887 1.00 0.00 N ATOM 1422 CA GLN A 99 17.009 -0.483 -8.477 1.00 0.00 C ATOM 1423 C GLN A 99 18.204 -0.453 -7.451 1.00 0.00 C ATOM 1424 O GLN A 99 18.596 0.609 -6.951 1.00 0.00 O ATOM 1425 CB GLN A 99 16.627 0.944 -8.992 1.00 0.00 C ATOM 1426 CG GLN A 99 15.339 1.166 -9.840 1.00 0.00 C ATOM 1427 CD GLN A 99 15.262 0.632 -11.274 1.00 0.00 C ATOM 1428 OE1 GLN A 99 14.998 1.370 -12.221 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.380 -0.656 -11.483 1.00 0.00 N ATOM 0 H GLN A 99 15.128 -0.464 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 99 17.359 -1.072 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.551 1.590 -8.118 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.467 1.307 -9.584 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.508 0.729 -9.287 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.162 2.241 -9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.599 -1.281 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.253 -1.034 -12.422 1.00 0.00 H new ATOM 1438 N GLN A 100 18.771 -1.630 -7.128 1.00 0.00 N ATOM 1439 CA GLN A 100 19.691 -1.806 -5.975 1.00 0.00 C ATOM 1440 C GLN A 100 20.999 -2.510 -6.415 1.00 0.00 C ATOM 1441 O GLN A 100 22.083 -1.900 -6.258 1.00 0.00 O ATOM 1442 CB GLN A 100 18.916 -2.556 -4.861 1.00 0.00 C ATOM 1443 CG GLN A 100 19.626 -2.614 -3.486 1.00 0.00 C ATOM 1444 CD GLN A 100 18.826 -3.334 -2.390 1.00 0.00 C ATOM 1445 OE1 GLN A 100 18.207 -4.375 -2.585 1.00 0.00 O ATOM 1446 NE2 GLN A 100 18.823 -2.842 -1.175 1.00 0.00 N ATOM 1447 OXT GLN A 100 20.962 -3.668 -6.893 1.00 0.00 O ATOM 0 H GLN A 100 18.608 -2.488 -7.654 1.00 0.00 H new ATOM 0 HA GLN A 100 20.013 -0.845 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 100 17.946 -2.077 -4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 100 18.726 -3.575 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 100 20.586 -3.116 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 100 19.837 -1.597 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 100 19.326 -1.978 -0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.317 -3.323 -0.431 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 18.389 14.245 -3.939 1.00 0.00 FE HETATM 1458 CHA HEC A 101 21.250 13.662 -2.129 1.00 0.00 C HETATM 1459 CHB HEC A 101 17.438 11.186 -2.595 1.00 0.00 C HETATM 1460 CHC HEC A 101 15.382 14.857 -5.111 1.00 0.00 C HETATM 1461 CHD HEC A 101 19.471 16.884 -5.353 1.00 0.00 C HETATM 1462 NA HEC A 101 19.053 12.917 -2.583 1.00 0.00 N HETATM 1463 C1A HEC A 101 20.230 12.812 -1.996 1.00 0.00 C HETATM 1464 C2A HEC A 101 20.458 11.714 -1.226 1.00 0.00 C HETATM 1465 C3A HEC A 101 19.336 11.025 -1.322 1.00 0.00 C HETATM 1466 C4A HEC A 101 18.583 11.742 -2.197 1.00 0.00 C HETATM 1467 CMA HEC A 101 19.047 9.686 -0.612 1.00 0.00 C HETATM 1468 CAA HEC A 101 21.721 11.222 -0.471 1.00 0.00 C HETATM 1469 CBA HEC A 101 22.555 10.272 -1.372 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.950 9.858 -0.893 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.637 9.146 -1.666 1.00 0.00 O HETATM 1472 O2A HEC A 101 24.393 10.252 0.209 1.00 0.00 O HETATM 1473 NB HEC A 101 16.835 13.208 -3.907 1.00 0.00 N HETATM 1474 C1B HEC A 101 16.516 11.885 -3.484 1.00 0.00 C HETATM 1475 C2B HEC A 101 15.267 11.417 -3.881 1.00 0.00 C HETATM 1476 C3B HEC A 101 14.626 12.491 -4.464 1.00 0.00 C HETATM 1477 C4B HEC A 101 15.560 13.549 -4.448 1.00 0.00 C HETATM 1478 CMB HEC A 101 14.734 9.984 -3.751 1.00 0.00 C HETATM 1479 CAB HEC A 101 13.212 12.480 -5.091 1.00 0.00 C HETATM 1480 CBB HEC A 101 12.120 12.348 -4.014 1.00 0.00 C HETATM 1481 NC HEC A 101 17.550 15.670 -4.805 1.00 0.00 N HETATM 1482 C1C HEC A 101 16.358 15.755 -5.299 1.00 0.00 C HETATM 1483 C2C HEC A 101 16.158 16.811 -6.122 1.00 0.00 C HETATM 1484 C3C HEC A 101 17.363 17.370 -6.256 1.00 0.00 C HETATM 1485 C4C HEC A 101 18.156 16.626 -5.443 1.00 0.00 C HETATM 1486 CMC HEC A 101 14.896 17.294 -6.856 1.00 0.00 C HETATM 1487 CAC HEC A 101 17.742 18.502 -7.257 1.00 0.00 C HETATM 1488 CBC HEC A 101 16.972 19.822 -7.086 1.00 0.00 C HETATM 1489 ND HEC A 101 20.071 14.957 -3.901 1.00 0.00 N HETATM 1490 C1D HEC A 101 20.454 16.151 -4.535 1.00 0.00 C HETATM 1491 C2D HEC A 101 21.724 16.626 -4.173 1.00 0.00 C HETATM 1492 C3D HEC A 101 22.217 15.740 -3.238 1.00 0.00 C HETATM 1493 C4D HEC A 101 21.216 14.772 -3.082 1.00 0.00 C HETATM 1494 CMD HEC A 101 22.430 17.911 -4.622 1.00 0.00 C HETATM 1495 CAD HEC A 101 23.549 15.859 -2.474 1.00 0.00 C HETATM 1496 CBD HEC A 101 23.358 16.537 -1.100 1.00 0.00 C HETATM 1497 CGD HEC A 101 24.610 16.805 -0.265 1.00 0.00 C HETATM 1498 O1D HEC A 101 24.434 17.283 0.878 1.00 0.00 O HETATM 1499 O2D HEC A 101 25.751 16.573 -0.721 1.00 0.00 O HETATM 0 HMD3 HEC A 101 22.551 17.900 -5.705 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 21.832 18.775 -4.332 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 23.410 17.972 -4.148 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 14.545 16.512 -7.529 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 14.117 17.523 -6.129 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 15.130 18.190 -7.431 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 15.379 9.304 -4.307 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 14.722 9.694 -2.700 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 13.722 9.934 -4.153 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 19.777 8.941 -0.929 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.115 9.824 0.467 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 18.045 9.345 -0.872 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 22.852 17.489 -1.262 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 22.686 15.915 -0.509 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 15.905 19.641 -7.217 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 17.152 20.222 -6.088 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 17.312 20.541 -7.831 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 12.261 11.417 -3.465 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 12.185 13.190 -3.325 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 11.139 12.344 -4.489 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 21.973 9.363 -1.526 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 22.665 10.749 -2.346 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 23.979 14.867 -2.334 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 24.260 16.433 -3.068 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 22.329 12.076 -0.171 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 21.428 10.703 0.442 1.00 0.00 H new HETATM 0 HHD HEC A 101 19.849 17.719 -5.944 1.00 0.00 H new HETATM 0 HHC HEC A 101 14.385 15.109 -5.473 1.00 0.00 H new HETATM 0 HHB HEC A 101 17.185 10.184 -2.248 1.00 0.00 H new HETATM 0 HHA HEC A 101 22.136 13.525 -1.509 1.00 0.00 H new HETATM 0 H2D HEC A 101 26.312 16.185 -0.017 1.00 0.00 H new HETATM 0 H2A HEC A 101 25.106 10.907 0.059 1.00 0.00 H new