USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 SER OG : rot 12:sc= 0.813 USER MOD Set 1.2: A 57 GLN :FLIP amide:sc= -0.517 F(o=-1.2,f=-0.31) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.602 K(o=-0.31,f=-7.1!) USER MOD Set 2.1: A 28 SER OG : rot 173:sc= 0.0223 USER MOD Set 2.2: A 47 TYR OH : rot -95:sc= 1.22 USER MOD Set 2.3: A 51 GLN : amide:sc= -1.73! C(o=1.5!,f=0.088!) USER MOD Set 2.4: A 88 GLN : amide:sc= 1.98 K(o=1.5,f=-4.2) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -152:sc= 0.508 (180deg=0) USER MOD Set 3.2: A 38 THR OG1 : rot -1:sc= -0.168 USER MOD Set 4.1: A 14 ASN :FLIP amide:sc= 1.06 F(o=-0.23,f=2) USER MOD Set 4.2: A 15 ASN : amide:sc= 0.973 K(o=2,f=-2.1) USER MOD Set 5.1: A 12 THR OG1 : rot 108:sc= 0.0125 USER MOD Set 5.2: A 17 HIS : no HD1:sc= -0.57 X(o=-0.56,f=-0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0411) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.828) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -0.057 (180deg=-0.45) USER MOD Single : A 25 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.4!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0882 X(o=-0.088,f=-0.17) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -0.734 (180deg=-0.844) USER MOD Single : A 44 MET CE :methyl -142:sc= -0.145 (180deg=-0.674) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0.00017 USER MOD Single : A 55 MET CE :methyl -175:sc= 0 (180deg=-0.0113) USER MOD Single : A 65 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.7!) USER MOD Single : A 68 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.86 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.00138 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 78 MET CE :methyl -177:sc= -2.09 (180deg=-2.14) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.2) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.658 4.410 10.074 1.00 0.00 N ATOM 2 CA MET A 1 24.624 4.496 11.099 1.00 0.00 C ATOM 3 C MET A 1 23.235 4.506 10.470 1.00 0.00 C ATOM 4 O MET A 1 22.330 3.809 10.928 1.00 0.00 O ATOM 5 CB MET A 1 24.821 5.752 11.949 1.00 0.00 C ATOM 6 CG MET A 1 24.222 5.644 13.342 1.00 0.00 C ATOM 7 SD MET A 1 22.509 6.203 13.407 1.00 0.00 S ATOM 8 CE MET A 1 21.972 5.468 14.949 1.00 0.00 C ATOM 0 H1 MET A 1 26.586 4.285 10.527 1.00 0.00 H new ATOM 0 H2 MET A 1 25.464 3.599 9.452 1.00 0.00 H new ATOM 0 H3 MET A 1 25.662 5.284 9.511 1.00 0.00 H new ATOM 0 HA MET A 1 24.708 3.617 11.738 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.888 5.958 12.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.373 6.602 11.435 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.275 4.608 13.677 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.819 6.234 14.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.928 5.724 15.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.075 4.384 14.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.586 5.847 15.766 1.00 0.00 H new ATOM 18 N ALA A 2 23.073 5.301 9.417 1.00 0.00 N ATOM 19 CA ALA A 2 21.794 5.401 8.725 1.00 0.00 C ATOM 20 C ALA A 2 21.967 5.206 7.222 1.00 0.00 C ATOM 21 O ALA A 2 22.616 6.011 6.553 1.00 0.00 O ATOM 22 CB ALA A 2 21.140 6.744 9.013 1.00 0.00 C ATOM 0 H ALA A 2 23.812 5.885 9.025 1.00 0.00 H new ATOM 0 HA ALA A 2 21.145 4.608 9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.186 6.804 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.972 6.845 10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 2 21.793 7.547 8.671 1.00 0.00 H new ATOM 28 N ASP A 3 21.384 4.134 6.698 1.00 0.00 N ATOM 29 CA ASP A 3 21.474 3.834 5.274 1.00 0.00 C ATOM 30 C ASP A 3 20.225 4.310 4.538 1.00 0.00 C ATOM 31 O ASP A 3 19.140 4.372 5.115 1.00 0.00 O ATOM 32 CB ASP A 3 21.666 2.332 5.058 1.00 0.00 C ATOM 33 CG ASP A 3 21.474 1.926 3.610 1.00 0.00 C ATOM 34 OD1 ASP A 3 22.330 2.284 2.774 1.00 0.00 O ATOM 35 OD2 ASP A 3 20.467 1.250 3.313 1.00 0.00 O ATOM 0 H ASP A 3 20.844 3.458 7.238 1.00 0.00 H new ATOM 0 HA ASP A 3 22.336 4.365 4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 3 22.666 2.046 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.960 1.785 5.682 1.00 0.00 H new ATOM 40 N GLU A 4 20.387 4.647 3.263 1.00 0.00 N ATOM 41 CA GLU A 4 19.273 5.119 2.450 1.00 0.00 C ATOM 42 C GLU A 4 19.517 4.832 0.971 1.00 0.00 C ATOM 43 O GLU A 4 20.661 4.756 0.522 1.00 0.00 O ATOM 44 CB GLU A 4 19.059 6.620 2.661 1.00 0.00 C ATOM 45 CG GLU A 4 18.356 6.957 3.965 1.00 0.00 C ATOM 46 CD GLU A 4 17.827 8.378 3.991 1.00 0.00 C ATOM 47 OE1 GLU A 4 17.333 8.847 2.945 1.00 0.00 O ATOM 48 OE2 GLU A 4 17.907 9.020 5.059 1.00 0.00 O ATOM 0 H GLU A 4 21.279 4.602 2.771 1.00 0.00 H new ATOM 0 HA GLU A 4 18.377 4.583 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 4 20.026 7.123 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.475 7.015 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.530 6.263 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 4 19.049 6.816 4.794 1.00 0.00 H new ATOM 55 N LYS A 5 18.434 4.672 0.219 1.00 0.00 N ATOM 56 CA LYS A 5 18.527 4.394 -1.209 1.00 0.00 C ATOM 57 C LYS A 5 17.282 4.881 -1.942 1.00 0.00 C ATOM 58 O LYS A 5 16.463 4.093 -2.417 1.00 0.00 O ATOM 59 CB LYS A 5 18.717 2.894 -1.446 1.00 0.00 C ATOM 60 CG LYS A 5 17.785 2.025 -0.618 1.00 0.00 C ATOM 61 CD LYS A 5 17.789 0.585 -1.103 1.00 0.00 C ATOM 62 CE LYS A 5 17.508 -0.386 0.034 1.00 0.00 C ATOM 63 NZ LYS A 5 18.746 -0.732 0.786 1.00 0.00 N ATOM 0 H LYS A 5 17.480 4.730 0.575 1.00 0.00 H new ATOM 0 HA LYS A 5 19.391 4.931 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.558 2.679 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 5 19.749 2.626 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.088 2.058 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.772 2.424 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.038 0.461 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.755 0.353 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.780 0.054 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.061 -1.295 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.513 -1.395 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.431 -1.175 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.160 0.132 1.190 1.00 0.00 H new ATOM 77 N PRO A 6 17.133 6.211 -2.038 1.00 0.00 N ATOM 78 CA PRO A 6 15.990 6.833 -2.713 1.00 0.00 C ATOM 79 C PRO A 6 16.029 6.630 -4.224 1.00 0.00 C ATOM 80 O PRO A 6 16.938 7.109 -4.902 1.00 0.00 O ATOM 81 CB PRO A 6 16.140 8.317 -2.369 1.00 0.00 C ATOM 82 CG PRO A 6 17.594 8.500 -2.104 1.00 0.00 C ATOM 83 CD PRO A 6 18.069 7.209 -1.495 1.00 0.00 C ATOM 0 HA PRO A 6 15.042 6.401 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.805 8.950 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.542 8.584 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.134 8.719 -3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.765 9.337 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.099 6.988 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 6 18.034 7.242 -0.406 1.00 0.00 H new ATOM 91 N LYS A 7 15.037 5.916 -4.746 1.00 0.00 N ATOM 92 CA LYS A 7 14.955 5.651 -6.177 1.00 0.00 C ATOM 93 C LYS A 7 13.517 5.767 -6.672 1.00 0.00 C ATOM 94 O LYS A 7 13.262 6.328 -7.737 1.00 0.00 O ATOM 95 CB LYS A 7 15.502 4.256 -6.490 1.00 0.00 C ATOM 96 CG LYS A 7 15.010 3.182 -5.535 1.00 0.00 C ATOM 97 CD LYS A 7 15.409 1.793 -6.004 1.00 0.00 C ATOM 98 CE LYS A 7 16.802 1.420 -5.520 1.00 0.00 C ATOM 99 NZ LYS A 7 17.859 1.878 -6.464 1.00 0.00 N ATOM 0 H LYS A 7 14.278 5.510 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 7 15.559 6.397 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.219 3.984 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.591 4.287 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.419 3.363 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.925 3.240 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.688 1.063 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.378 1.753 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.976 1.861 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.867 0.339 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.418 1.061 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.416 2.335 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.482 2.558 -5.984 1.00 0.00 H new ATOM 113 N GLU A 8 12.583 5.236 -5.890 1.00 0.00 N ATOM 114 CA GLU A 8 11.170 5.282 -6.249 1.00 0.00 C ATOM 115 C GLU A 8 10.621 6.699 -6.118 1.00 0.00 C ATOM 116 O GLU A 8 9.625 7.052 -6.747 1.00 0.00 O ATOM 117 CB GLU A 8 10.365 4.327 -5.365 1.00 0.00 C ATOM 118 CG GLU A 8 10.455 4.648 -3.883 1.00 0.00 C ATOM 119 CD GLU A 8 9.507 5.756 -3.468 1.00 0.00 C ATOM 120 OE1 GLU A 8 8.518 5.995 -4.192 1.00 0.00 O ATOM 121 OE2 GLU A 8 9.754 6.385 -2.417 1.00 0.00 O ATOM 0 H GLU A 8 12.779 4.769 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 8 11.075 4.969 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.319 4.356 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.717 3.309 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.233 3.750 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.477 4.939 -3.639 1.00 0.00 H new ATOM 128 N GLY A 9 11.280 7.509 -5.294 1.00 0.00 N ATOM 129 CA GLY A 9 10.843 8.878 -5.093 1.00 0.00 C ATOM 130 C GLY A 9 10.666 9.627 -6.399 1.00 0.00 C ATOM 131 O GLY A 9 11.633 9.866 -7.123 1.00 0.00 O ATOM 0 H GLY A 9 12.108 7.241 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.900 8.879 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.571 9.401 -4.473 1.00 0.00 H new ATOM 135 N VAL A 10 9.426 9.998 -6.703 1.00 0.00 N ATOM 136 CA VAL A 10 9.125 10.724 -7.931 1.00 0.00 C ATOM 137 C VAL A 10 8.258 11.946 -7.649 1.00 0.00 C ATOM 138 O VAL A 10 7.804 12.152 -6.523 1.00 0.00 O ATOM 139 CB VAL A 10 8.406 9.823 -8.954 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.369 8.799 -9.534 1.00 0.00 C ATOM 141 CG2 VAL A 10 7.210 9.137 -8.311 1.00 0.00 C ATOM 0 H VAL A 10 8.614 9.808 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 10 10.078 11.047 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 10 8.043 10.448 -9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.843 8.172 -10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.190 9.314 -10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.765 8.176 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.714 8.505 -9.047 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.548 8.524 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.510 9.890 -7.949 1.00 0.00 H new ATOM 151 N LYS A 11 8.030 12.753 -8.679 1.00 0.00 N ATOM 152 CA LYS A 11 7.216 13.955 -8.544 1.00 0.00 C ATOM 153 C LYS A 11 6.273 14.110 -9.733 1.00 0.00 C ATOM 154 O LYS A 11 6.561 13.636 -10.833 1.00 0.00 O ATOM 155 CB LYS A 11 8.110 15.191 -8.424 1.00 0.00 C ATOM 156 CG LYS A 11 8.533 15.500 -6.998 1.00 0.00 C ATOM 157 CD LYS A 11 9.837 14.806 -6.641 1.00 0.00 C ATOM 158 CE LYS A 11 11.037 15.552 -7.203 1.00 0.00 C ATOM 159 NZ LYS A 11 11.505 16.624 -6.282 1.00 0.00 N ATOM 0 H LYS A 11 8.398 12.596 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 11 6.617 13.858 -7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.001 15.045 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.581 16.052 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.648 16.577 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.750 15.183 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.927 14.734 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.826 13.787 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.850 14.849 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.774 15.990 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.324 17.109 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.738 17.309 -6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.780 16.204 -5.371 1.00 0.00 H new ATOM 173 N THR A 12 5.146 14.778 -9.507 1.00 0.00 N ATOM 174 CA THR A 12 4.162 14.996 -10.559 1.00 0.00 C ATOM 175 C THR A 12 3.589 16.407 -10.493 1.00 0.00 C ATOM 176 O THR A 12 3.553 17.022 -9.428 1.00 0.00 O ATOM 177 CB THR A 12 3.007 13.981 -10.467 1.00 0.00 C ATOM 178 OG1 THR A 12 2.792 13.606 -9.102 1.00 0.00 O ATOM 179 CG2 THR A 12 3.309 12.742 -11.297 1.00 0.00 C ATOM 0 H THR A 12 4.892 15.178 -8.603 1.00 0.00 H new ATOM 0 HA THR A 12 4.680 14.861 -11.508 1.00 0.00 H new ATOM 0 HB THR A 12 2.106 14.452 -10.860 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.957 14.005 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.480 12.039 -11.217 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.444 13.027 -12.340 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.220 12.271 -10.929 1.00 0.00 H new ATOM 187 N GLU A 13 3.142 16.914 -11.638 1.00 0.00 N ATOM 188 CA GLU A 13 2.571 18.254 -11.708 1.00 0.00 C ATOM 189 C GLU A 13 1.097 18.197 -12.099 1.00 0.00 C ATOM 190 O GLU A 13 0.290 19.002 -11.635 1.00 0.00 O ATOM 191 CB GLU A 13 3.344 19.109 -12.714 1.00 0.00 C ATOM 192 CG GLU A 13 3.614 18.404 -14.033 1.00 0.00 C ATOM 193 CD GLU A 13 4.919 17.632 -14.025 1.00 0.00 C ATOM 194 OE1 GLU A 13 5.854 18.054 -13.314 1.00 0.00 O ATOM 195 OE2 GLU A 13 5.004 16.606 -14.731 1.00 0.00 O ATOM 0 H GLU A 13 3.164 16.418 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 13 2.650 18.708 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.782 20.023 -12.909 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.294 19.407 -12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.793 17.721 -14.250 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.637 19.140 -14.836 1.00 0.00 H new ATOM 202 N ASN A 14 0.754 17.240 -12.955 1.00 0.00 N ATOM 203 CA ASN A 14 -0.622 17.078 -13.409 1.00 0.00 C ATOM 204 C ASN A 14 -1.476 16.415 -12.332 1.00 0.00 C ATOM 205 O ASN A 14 -2.665 16.705 -12.203 1.00 0.00 O ATOM 206 CB ASN A 14 -0.663 16.246 -14.692 1.00 0.00 C ATOM 207 CG ASN A 14 -2.035 16.248 -15.339 1.00 0.00 C ATOM 208 OD1 ASN A 14 -2.278 17.224 -16.207 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 -2.865 15.383 -15.063 1.00 0.00 N flip ATOM 0 H ASN A 14 1.410 16.565 -13.348 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.030 18.068 -13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.069 16.636 -15.399 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.372 15.220 -14.466 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.635 14.652 -14.390 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.783 15.397 -15.507 1.00 0.00 H new ATOM 216 N ASN A 15 -0.860 15.525 -11.562 1.00 0.00 N ATOM 217 CA ASN A 15 -1.564 14.821 -10.496 1.00 0.00 C ATOM 218 C ASN A 15 -0.779 14.888 -9.189 1.00 0.00 C ATOM 219 O ASN A 15 0.339 15.402 -9.150 1.00 0.00 O ATOM 220 CB ASN A 15 -1.797 13.360 -10.888 1.00 0.00 C ATOM 221 CG ASN A 15 -2.569 13.227 -12.187 1.00 0.00 C ATOM 222 OD1 ASN A 15 -2.056 13.541 -13.262 1.00 0.00 O ATOM 223 ND2 ASN A 15 -3.809 12.761 -12.093 1.00 0.00 N ATOM 0 H ASN A 15 0.124 15.274 -11.656 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.527 15.309 -10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.836 12.855 -10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.342 12.855 -10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.377 12.651 -12.933 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.193 12.513 -11.181 1.00 0.00 H new ATOM 230 N ASP A 16 -1.372 14.365 -8.122 1.00 0.00 N ATOM 231 CA ASP A 16 -0.728 14.364 -6.813 1.00 0.00 C ATOM 232 C ASP A 16 0.226 13.182 -6.678 1.00 0.00 C ATOM 233 O ASP A 16 0.340 12.356 -7.584 1.00 0.00 O ATOM 234 CB ASP A 16 -1.780 14.316 -5.704 1.00 0.00 C ATOM 235 CG ASP A 16 -1.600 15.425 -4.686 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.847 15.220 -3.711 1.00 0.00 O ATOM 237 OD2 ASP A 16 -2.212 16.499 -4.865 1.00 0.00 O ATOM 0 H ASP A 16 -2.297 13.936 -8.137 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.152 15.285 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.773 14.391 -6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.728 13.351 -5.199 1.00 0.00 H new ATOM 242 N HIS A 17 0.911 13.107 -5.541 1.00 0.00 N ATOM 243 CA HIS A 17 1.856 12.026 -5.287 1.00 0.00 C ATOM 244 C HIS A 17 2.135 11.887 -3.793 1.00 0.00 C ATOM 245 O HIS A 17 2.910 12.655 -3.223 1.00 0.00 O ATOM 246 CB HIS A 17 3.163 12.276 -6.040 1.00 0.00 C ATOM 247 CG HIS A 17 3.715 13.654 -5.842 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.722 13.940 -4.945 1.00 0.00 N ATOM 249 CD2 HIS A 17 3.395 14.829 -6.434 1.00 0.00 C ATOM 250 CE1 HIS A 17 4.996 15.232 -4.992 1.00 0.00 C ATOM 251 NE2 HIS A 17 4.205 15.794 -5.888 1.00 0.00 N ATOM 0 H HIS A 17 0.829 13.782 -4.781 1.00 0.00 H new ATOM 0 HA HIS A 17 1.411 11.097 -5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.905 11.546 -5.715 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.997 12.110 -7.104 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.643 14.979 -7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.740 15.742 -4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.197 16.784 -6.134 1.00 0.00 H new ATOM 259 N ILE A 18 1.497 10.905 -3.166 1.00 0.00 N ATOM 260 CA ILE A 18 1.677 10.666 -1.740 1.00 0.00 C ATOM 261 C ILE A 18 2.555 9.444 -1.493 1.00 0.00 C ATOM 262 O ILE A 18 3.013 8.796 -2.434 1.00 0.00 O ATOM 263 CB ILE A 18 0.326 10.466 -1.028 1.00 0.00 C ATOM 264 CG1 ILE A 18 -0.253 9.090 -1.363 1.00 0.00 C ATOM 265 CG2 ILE A 18 -0.648 11.567 -1.421 1.00 0.00 C ATOM 266 CD1 ILE A 18 -1.599 8.829 -0.724 1.00 0.00 C ATOM 0 H ILE A 18 0.851 10.262 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 18 2.167 11.550 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 18 0.488 10.519 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.350 8.999 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.449 8.321 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.598 11.412 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.237 12.535 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.808 11.544 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.949 7.836 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.504 8.887 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.315 9.576 -1.066 1.00 0.00 H new ATOM 278 N ASN A 19 2.783 9.133 -0.221 1.00 0.00 N ATOM 279 CA ASN A 19 3.605 7.987 0.149 1.00 0.00 C ATOM 280 C ASN A 19 2.808 6.995 0.990 1.00 0.00 C ATOM 281 O ASN A 19 1.927 7.383 1.759 1.00 0.00 O ATOM 282 CB ASN A 19 4.842 8.449 0.922 1.00 0.00 C ATOM 283 CG ASN A 19 6.046 7.560 0.671 1.00 0.00 C ATOM 284 OD1 ASN A 19 6.865 7.839 -0.204 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.157 6.484 1.441 1.00 0.00 N ATOM 0 H ASN A 19 2.410 9.658 0.570 1.00 0.00 H new ATOM 0 HA ASN A 19 3.922 7.488 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.084 9.473 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.618 8.460 1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.946 5.849 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.453 6.293 2.154 1.00 0.00 H new ATOM 292 N LEU A 20 3.122 5.713 0.840 1.00 0.00 N ATOM 293 CA LEU A 20 2.436 4.664 1.586 1.00 0.00 C ATOM 294 C LEU A 20 3.404 3.553 1.980 1.00 0.00 C ATOM 295 O LEU A 20 4.492 3.434 1.416 1.00 0.00 O ATOM 296 CB LEU A 20 1.290 4.086 0.754 1.00 0.00 C ATOM 297 CG LEU A 20 0.262 5.093 0.235 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.715 4.418 -0.714 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.480 5.743 1.394 1.00 0.00 C ATOM 0 H LEU A 20 3.848 5.375 0.208 1.00 0.00 H new ATOM 0 HA LEU A 20 2.030 5.106 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.717 3.560 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.768 3.343 1.357 1.00 0.00 H new ATOM 0 HG LEU A 20 0.791 5.872 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.438 5.150 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.170 4.001 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.238 3.618 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.207 6.456 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.996 4.976 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.231 6.263 2.036 1.00 0.00 H new ATOM 311 N LYS A 21 3.001 2.740 2.950 1.00 0.00 N ATOM 312 CA LYS A 21 3.830 1.636 3.418 1.00 0.00 C ATOM 313 C LYS A 21 2.982 0.398 3.695 1.00 0.00 C ATOM 314 O LYS A 21 2.154 0.392 4.606 1.00 0.00 O ATOM 315 CB LYS A 21 4.588 2.041 4.684 1.00 0.00 C ATOM 316 CG LYS A 21 5.711 3.032 4.429 1.00 0.00 C ATOM 317 CD LYS A 21 6.835 2.405 3.620 1.00 0.00 C ATOM 318 CE LYS A 21 7.491 1.258 4.372 1.00 0.00 C ATOM 319 NZ LYS A 21 7.938 1.670 5.731 1.00 0.00 N ATOM 0 H LYS A 21 2.104 2.825 3.428 1.00 0.00 H new ATOM 0 HA LYS A 21 4.547 1.396 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.885 2.476 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.002 1.147 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.319 3.899 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.103 3.392 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.442 2.041 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.583 3.163 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.788 0.430 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.346 0.893 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.581 0.950 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.435 2.582 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.111 1.766 6.354 1.00 0.00 H new ATOM 333 N VAL A 22 3.195 -0.649 2.904 1.00 0.00 N ATOM 334 CA VAL A 22 2.452 -1.893 3.066 1.00 0.00 C ATOM 335 C VAL A 22 3.166 -2.838 4.026 1.00 0.00 C ATOM 336 O VAL A 22 3.999 -3.645 3.614 1.00 0.00 O ATOM 337 CB VAL A 22 2.251 -2.606 1.716 1.00 0.00 C ATOM 338 CG1 VAL A 22 1.500 -3.915 1.910 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.516 -1.700 0.740 1.00 0.00 C ATOM 0 H VAL A 22 3.876 -0.660 2.145 1.00 0.00 H new ATOM 0 HA VAL A 22 1.478 -1.629 3.478 1.00 0.00 H new ATOM 0 HB VAL A 22 3.230 -2.836 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.367 -4.405 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.070 -4.567 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.524 -3.713 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.382 -2.220 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.541 -1.438 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.097 -0.792 0.578 1.00 0.00 H new ATOM 349 N ALA A 23 2.833 -2.733 5.308 1.00 0.00 N ATOM 350 CA ALA A 23 3.440 -3.580 6.327 1.00 0.00 C ATOM 351 C ALA A 23 2.397 -4.468 6.996 1.00 0.00 C ATOM 352 O ALA A 23 1.567 -3.993 7.770 1.00 0.00 O ATOM 353 CB ALA A 23 4.154 -2.727 7.366 1.00 0.00 C ATOM 0 H ALA A 23 2.146 -2.069 5.666 1.00 0.00 H new ATOM 0 HA ALA A 23 4.170 -4.226 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.603 -3.373 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.934 -2.140 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.438 -2.057 7.841 1.00 0.00 H new ATOM 359 N GLY A 24 2.444 -5.761 6.691 1.00 0.00 N ATOM 360 CA GLY A 24 1.496 -6.695 7.270 1.00 0.00 C ATOM 361 C GLY A 24 1.799 -7.001 8.724 1.00 0.00 C ATOM 362 O GLY A 24 2.959 -7.152 9.104 1.00 0.00 O ATOM 0 H GLY A 24 3.122 -6.179 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.490 -6.283 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.507 -7.622 6.697 1.00 0.00 H new ATOM 366 N GLN A 25 0.752 -7.090 9.539 1.00 0.00 N ATOM 367 CA GLN A 25 0.913 -7.377 10.959 1.00 0.00 C ATOM 368 C GLN A 25 1.615 -8.715 11.168 1.00 0.00 C ATOM 369 O GLN A 25 2.172 -8.974 12.235 1.00 0.00 O ATOM 370 CB GLN A 25 -0.449 -7.388 11.656 1.00 0.00 C ATOM 371 CG GLN A 25 -1.265 -8.640 11.377 1.00 0.00 C ATOM 372 CD GLN A 25 -2.759 -8.384 11.417 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.204 -7.236 11.394 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.542 -9.455 11.478 1.00 0.00 N ATOM 0 H GLN A 25 -0.215 -6.968 9.240 1.00 0.00 H new ATOM 0 HA GLN A 25 1.530 -6.592 11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.298 -7.295 12.731 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.018 -6.515 11.337 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.994 -9.035 10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.012 -9.405 12.111 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.130 -10.388 11.495 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.556 -9.345 11.508 1.00 0.00 H new ATOM 383 N ASP A 26 1.584 -9.560 10.144 1.00 0.00 N ATOM 384 CA ASP A 26 2.218 -10.871 10.215 1.00 0.00 C ATOM 385 C ASP A 26 3.723 -10.760 9.993 1.00 0.00 C ATOM 386 O ASP A 26 4.510 -10.888 10.930 1.00 0.00 O ATOM 387 CB ASP A 26 1.606 -11.814 9.178 1.00 0.00 C ATOM 388 CG ASP A 26 2.294 -13.165 9.146 1.00 0.00 C ATOM 389 OD1 ASP A 26 2.101 -13.953 10.096 1.00 0.00 O ATOM 390 OD2 ASP A 26 3.026 -13.434 8.171 1.00 0.00 O ATOM 0 H ASP A 26 1.126 -9.361 9.254 1.00 0.00 H new ATOM 0 HA ASP A 26 2.045 -11.277 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.548 -11.954 9.398 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.668 -11.354 8.192 1.00 0.00 H new ATOM 395 N GLY A 27 4.117 -10.521 8.746 1.00 0.00 N ATOM 396 CA GLY A 27 5.526 -10.398 8.423 1.00 0.00 C ATOM 397 C GLY A 27 5.756 -9.796 7.051 1.00 0.00 C ATOM 398 O GLY A 27 6.512 -10.340 6.246 1.00 0.00 O ATOM 0 H GLY A 27 3.485 -10.410 7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.015 -9.779 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.993 -11.382 8.468 1.00 0.00 H new ATOM 402 N SER A 28 5.103 -8.670 6.783 1.00 0.00 N ATOM 403 CA SER A 28 5.236 -7.997 5.497 1.00 0.00 C ATOM 404 C SER A 28 5.645 -6.539 5.686 1.00 0.00 C ATOM 405 O SER A 28 5.385 -5.940 6.730 1.00 0.00 O ATOM 406 CB SER A 28 3.920 -8.071 4.720 1.00 0.00 C ATOM 407 OG SER A 28 3.801 -9.307 4.036 1.00 0.00 O ATOM 0 H SER A 28 4.476 -8.205 7.440 1.00 0.00 H new ATOM 0 HA SER A 28 6.015 -8.505 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.082 -7.949 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.869 -7.250 4.005 1.00 0.00 H new ATOM 0 HG SER A 28 2.908 -9.376 3.639 1.00 0.00 H new ATOM 413 N VAL A 29 6.289 -5.975 4.669 1.00 0.00 N ATOM 414 CA VAL A 29 6.734 -4.587 4.721 1.00 0.00 C ATOM 415 C VAL A 29 7.408 -4.177 3.417 1.00 0.00 C ATOM 416 O VAL A 29 8.513 -4.624 3.109 1.00 0.00 O ATOM 417 CB VAL A 29 7.713 -4.356 5.887 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.839 -5.378 5.850 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.267 -2.940 5.845 1.00 0.00 C ATOM 0 H VAL A 29 6.514 -6.458 3.799 1.00 0.00 H new ATOM 0 HA VAL A 29 5.846 -3.975 4.875 1.00 0.00 H new ATOM 0 HB VAL A 29 7.170 -4.482 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.521 -5.199 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.422 -6.382 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.382 -5.287 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.957 -2.794 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.794 -2.783 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.447 -2.226 5.925 1.00 0.00 H new ATOM 429 N VAL A 30 6.736 -3.322 2.653 1.00 0.00 N ATOM 430 CA VAL A 30 7.270 -2.849 1.382 1.00 0.00 C ATOM 431 C VAL A 30 6.832 -1.416 1.100 1.00 0.00 C ATOM 432 O VAL A 30 5.703 -1.032 1.404 1.00 0.00 O ATOM 433 CB VAL A 30 6.823 -3.750 0.215 1.00 0.00 C ATOM 434 CG1 VAL A 30 5.309 -3.723 0.070 1.00 0.00 C ATOM 435 CG2 VAL A 30 7.498 -3.320 -1.079 1.00 0.00 C ATOM 0 H VAL A 30 5.820 -2.943 2.893 1.00 0.00 H new ATOM 0 HA VAL A 30 8.356 -2.884 1.463 1.00 0.00 H new ATOM 0 HB VAL A 30 7.126 -4.774 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.011 -4.365 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.849 -4.082 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.980 -2.702 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.171 -3.967 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.228 -2.288 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.580 -3.396 -0.968 1.00 0.00 H new ATOM 445 N GLN A 31 7.732 -0.632 0.517 1.00 0.00 N ATOM 446 CA GLN A 31 7.438 0.760 0.195 1.00 0.00 C ATOM 447 C GLN A 31 6.769 0.872 -1.171 1.00 0.00 C ATOM 448 O GLN A 31 7.079 0.114 -2.090 1.00 0.00 O ATOM 449 CB GLN A 31 8.721 1.593 0.217 1.00 0.00 C ATOM 450 CG GLN A 31 9.479 1.506 1.532 1.00 0.00 C ATOM 451 CD GLN A 31 10.944 1.870 1.385 1.00 0.00 C ATOM 452 OE1 GLN A 31 11.315 2.664 0.521 1.00 0.00 O ATOM 453 NE2 GLN A 31 11.786 1.288 2.232 1.00 0.00 N ATOM 0 H GLN A 31 8.670 -0.936 0.258 1.00 0.00 H new ATOM 0 HA GLN A 31 6.751 1.144 0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.373 1.262 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.471 2.635 0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.014 2.171 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.398 0.494 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.435 0.636 2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.784 1.494 2.181 1.00 0.00 H new ATOM 462 N PHE A 32 5.848 1.822 -1.297 1.00 0.00 N ATOM 463 CA PHE A 32 5.134 2.033 -2.550 1.00 0.00 C ATOM 464 C PHE A 32 4.729 3.496 -2.707 1.00 0.00 C ATOM 465 O PHE A 32 4.640 4.236 -1.727 1.00 0.00 O ATOM 466 CB PHE A 32 3.892 1.140 -2.611 1.00 0.00 C ATOM 467 CG PHE A 32 4.007 0.021 -3.606 1.00 0.00 C ATOM 468 CD1 PHE A 32 4.571 -1.191 -3.243 1.00 0.00 C ATOM 469 CD2 PHE A 32 3.549 0.181 -4.904 1.00 0.00 C ATOM 470 CE1 PHE A 32 4.679 -2.222 -4.157 1.00 0.00 C ATOM 471 CE2 PHE A 32 3.654 -0.847 -5.822 1.00 0.00 C ATOM 472 CZ PHE A 32 4.218 -2.050 -5.448 1.00 0.00 C ATOM 0 H PHE A 32 5.579 2.458 -0.546 1.00 0.00 H new ATOM 0 HA PHE A 32 5.804 1.770 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.708 0.719 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.026 1.752 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.930 -1.332 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.105 1.119 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.123 -3.161 -3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.295 -0.709 -6.831 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.299 -2.855 -6.163 1.00 0.00 H new ATOM 482 N LYS A 33 4.487 3.907 -3.947 1.00 0.00 N ATOM 483 CA LYS A 33 4.092 5.281 -4.234 1.00 0.00 C ATOM 484 C LYS A 33 2.816 5.317 -5.070 1.00 0.00 C ATOM 485 O LYS A 33 2.608 4.469 -5.938 1.00 0.00 O ATOM 486 CB LYS A 33 5.217 6.014 -4.970 1.00 0.00 C ATOM 487 CG LYS A 33 5.023 7.519 -5.031 1.00 0.00 C ATOM 488 CD LYS A 33 6.253 8.260 -4.532 1.00 0.00 C ATOM 489 CE LYS A 33 5.896 9.644 -4.011 1.00 0.00 C ATOM 490 NZ LYS A 33 7.095 10.376 -3.517 1.00 0.00 N ATOM 0 H LYS A 33 4.557 3.308 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 33 3.899 5.783 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.164 5.798 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.290 5.624 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.808 7.818 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.159 7.800 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.730 7.683 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.978 8.350 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.421 10.220 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.169 9.552 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.810 11.314 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.535 9.839 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.779 10.486 -4.293 1.00 0.00 H new ATOM 504 N ILE A 34 1.967 6.303 -4.803 1.00 0.00 N ATOM 505 CA ILE A 34 0.714 6.450 -5.532 1.00 0.00 C ATOM 506 C ILE A 34 0.214 7.890 -5.482 1.00 0.00 C ATOM 507 O ILE A 34 0.621 8.671 -4.622 1.00 0.00 O ATOM 508 CB ILE A 34 -0.377 5.520 -4.969 1.00 0.00 C ATOM 509 CG1 ILE A 34 -1.440 5.242 -6.034 1.00 0.00 C ATOM 510 CG2 ILE A 34 -1.010 6.135 -3.730 1.00 0.00 C ATOM 511 CD1 ILE A 34 -1.735 3.770 -6.223 1.00 0.00 C ATOM 0 H ILE A 34 2.124 7.012 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 34 0.917 6.174 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 34 0.084 4.574 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.361 5.757 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.110 5.663 -6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.779 5.466 -3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.245 6.287 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.460 7.094 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.497 3.648 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.825 3.253 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.095 3.348 -5.285 1.00 0.00 H new ATOM 523 N LYS A 35 -0.673 8.235 -6.410 1.00 0.00 N ATOM 524 CA LYS A 35 -1.232 9.580 -6.471 1.00 0.00 C ATOM 525 C LYS A 35 -2.464 9.698 -5.579 1.00 0.00 C ATOM 526 O LYS A 35 -2.827 8.753 -4.878 1.00 0.00 O ATOM 527 CB LYS A 35 -1.598 9.936 -7.914 1.00 0.00 C ATOM 528 CG LYS A 35 -0.421 9.882 -8.871 1.00 0.00 C ATOM 529 CD LYS A 35 -0.408 8.587 -9.666 1.00 0.00 C ATOM 530 CE LYS A 35 -1.535 8.549 -10.687 1.00 0.00 C ATOM 531 NZ LYS A 35 -1.877 7.154 -11.082 1.00 0.00 N ATOM 0 H LYS A 35 -1.020 7.601 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.476 10.278 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.371 9.252 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.026 10.938 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.468 10.729 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.509 9.975 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.550 8.481 -10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.503 7.740 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.418 9.036 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.244 9.116 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.260 7.151 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.022 6.563 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.589 6.772 -10.427 1.00 0.00 H new ATOM 545 N ARG A 36 -3.102 10.863 -5.611 1.00 0.00 N ATOM 546 CA ARG A 36 -4.293 11.104 -4.806 1.00 0.00 C ATOM 547 C ARG A 36 -5.474 10.286 -5.322 1.00 0.00 C ATOM 548 O ARG A 36 -6.029 9.456 -4.602 1.00 0.00 O ATOM 549 CB ARG A 36 -4.648 12.592 -4.814 1.00 0.00 C ATOM 550 CG ARG A 36 -4.207 13.330 -3.560 1.00 0.00 C ATOM 551 CD ARG A 36 -4.929 14.661 -3.414 1.00 0.00 C ATOM 552 NE ARG A 36 -4.261 15.544 -2.462 1.00 0.00 N ATOM 553 CZ ARG A 36 -4.498 16.849 -2.379 1.00 0.00 C ATOM 554 NH1 ARG A 36 -5.382 17.418 -3.187 1.00 0.00 N ATOM 555 NH2 ARG A 36 -3.850 17.587 -1.487 1.00 0.00 N ATOM 0 H ARG A 36 -2.814 11.655 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.078 10.794 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.188 13.062 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.727 12.699 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.402 12.711 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.131 13.500 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.985 15.152 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.954 14.484 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.575 15.137 -1.826 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.882 16.854 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.562 18.420 -3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.169 17.153 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.033 18.589 -1.424 1.00 0.00 H new ATOM 569 N HIS A 37 -5.852 10.527 -6.573 1.00 0.00 N ATOM 570 CA HIS A 37 -6.966 9.812 -7.186 1.00 0.00 C ATOM 571 C HIS A 37 -6.465 8.641 -8.025 1.00 0.00 C ATOM 572 O HIS A 37 -6.356 8.741 -9.248 1.00 0.00 O ATOM 573 CB HIS A 37 -7.792 10.762 -8.055 1.00 0.00 C ATOM 574 CG HIS A 37 -8.899 10.081 -8.799 1.00 0.00 C ATOM 575 ND1 HIS A 37 -8.943 10.002 -10.175 1.00 0.00 N ATOM 576 CD2 HIS A 37 -10.007 9.445 -8.352 1.00 0.00 C ATOM 577 CE1 HIS A 37 -10.031 9.348 -10.542 1.00 0.00 C ATOM 578 NE2 HIS A 37 -10.694 8.999 -9.454 1.00 0.00 N ATOM 0 H HIS A 37 -5.404 11.211 -7.182 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.597 9.420 -6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -8.216 11.543 -7.424 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.133 11.253 -8.770 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -10.297 9.313 -7.320 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.328 9.135 -11.558 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -11.573 8.482 -9.436 1.00 0.00 H new ATOM 586 N THR A 38 -6.160 7.531 -7.361 1.00 0.00 N ATOM 587 CA THR A 38 -5.669 6.341 -8.045 1.00 0.00 C ATOM 588 C THR A 38 -6.259 5.074 -7.438 1.00 0.00 C ATOM 589 O THR A 38 -6.268 4.886 -6.221 1.00 0.00 O ATOM 590 CB THR A 38 -4.132 6.256 -7.989 1.00 0.00 C ATOM 591 OG1 THR A 38 -3.554 7.317 -8.758 1.00 0.00 O ATOM 592 CG2 THR A 38 -3.645 4.916 -8.520 1.00 0.00 C ATOM 0 H THR A 38 -6.244 7.431 -6.349 1.00 0.00 H new ATOM 0 HA THR A 38 -5.984 6.422 -9.085 1.00 0.00 H new ATOM 0 HB THR A 38 -3.823 6.352 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.267 7.850 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.557 4.879 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.063 4.111 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.966 4.796 -9.555 1.00 0.00 H new ATOM 600 N PRO A 39 -6.764 4.182 -8.303 1.00 0.00 N ATOM 601 CA PRO A 39 -7.365 2.916 -7.874 1.00 0.00 C ATOM 602 C PRO A 39 -6.331 1.941 -7.322 1.00 0.00 C ATOM 603 O PRO A 39 -5.390 1.557 -8.018 1.00 0.00 O ATOM 604 CB PRO A 39 -7.986 2.364 -9.160 1.00 0.00 C ATOM 605 CG PRO A 39 -7.190 2.978 -10.259 1.00 0.00 C ATOM 606 CD PRO A 39 -6.787 4.341 -9.767 1.00 0.00 C ATOM 0 HA PRO A 39 -8.082 3.059 -7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.930 1.276 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.040 2.632 -9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.314 2.372 -10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.779 3.051 -11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.812 4.636 -10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.498 5.107 -10.077 1.00 0.00 H new ATOM 614 N LEU A 40 -6.510 1.544 -6.067 1.00 0.00 N ATOM 615 CA LEU A 40 -5.592 0.613 -5.420 1.00 0.00 C ATOM 616 C LEU A 40 -5.419 -0.650 -6.257 1.00 0.00 C ATOM 617 O LEU A 40 -4.461 -1.402 -6.075 1.00 0.00 O ATOM 618 CB LEU A 40 -6.102 0.248 -4.025 1.00 0.00 C ATOM 619 CG LEU A 40 -6.271 1.411 -3.047 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.709 1.907 -3.050 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.851 0.993 -1.645 1.00 0.00 C ATOM 0 H LEU A 40 -7.283 1.852 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.622 1.102 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.064 -0.254 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.413 -0.473 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.627 2.229 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.810 2.735 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.975 2.246 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.374 1.096 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.978 1.833 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.469 0.159 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.805 0.688 -1.654 1.00 0.00 H new ATOM 633 N SER A 41 -6.351 -0.877 -7.177 1.00 0.00 N ATOM 634 CA SER A 41 -6.303 -2.050 -8.042 1.00 0.00 C ATOM 635 C SER A 41 -4.887 -2.284 -8.562 1.00 0.00 C ATOM 636 O SER A 41 -4.352 -3.389 -8.466 1.00 0.00 O ATOM 637 CB SER A 41 -7.269 -1.885 -9.216 1.00 0.00 C ATOM 638 OG SER A 41 -8.587 -2.252 -8.848 1.00 0.00 O ATOM 0 H SER A 41 -7.149 -0.264 -7.343 1.00 0.00 H new ATOM 0 HA SER A 41 -6.603 -2.917 -7.454 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.258 -0.850 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.937 -2.500 -10.053 1.00 0.00 H new ATOM 0 HG SER A 41 -9.185 -2.136 -9.615 1.00 0.00 H new ATOM 644 N LYS A 42 -4.286 -1.235 -9.113 1.00 0.00 N ATOM 645 CA LYS A 42 -2.932 -1.323 -9.648 1.00 0.00 C ATOM 646 C LYS A 42 -1.985 -1.950 -8.630 1.00 0.00 C ATOM 647 O LYS A 42 -1.133 -2.768 -8.981 1.00 0.00 O ATOM 648 CB LYS A 42 -2.427 0.067 -10.042 1.00 0.00 C ATOM 649 CG LYS A 42 -3.262 0.734 -11.122 1.00 0.00 C ATOM 650 CD LYS A 42 -2.817 2.166 -11.366 1.00 0.00 C ATOM 651 CE LYS A 42 -4.006 3.103 -11.509 1.00 0.00 C ATOM 652 NZ LYS A 42 -4.970 2.622 -12.538 1.00 0.00 N ATOM 0 H LYS A 42 -4.715 -0.314 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.958 -1.958 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.416 0.704 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.397 -0.015 -10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.183 0.165 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.312 0.723 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.188 2.498 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.207 2.210 -12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.514 3.194 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.654 4.099 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.654 3.376 -12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.454 2.366 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.476 1.788 -12.177 1.00 0.00 H new ATOM 666 N LEU A 43 -2.138 -1.563 -7.369 1.00 0.00 N ATOM 667 CA LEU A 43 -1.297 -2.089 -6.299 1.00 0.00 C ATOM 668 C LEU A 43 -1.622 -3.553 -6.020 1.00 0.00 C ATOM 669 O LEU A 43 -0.837 -4.445 -6.340 1.00 0.00 O ATOM 670 CB LEU A 43 -1.481 -1.262 -5.025 1.00 0.00 C ATOM 671 CG LEU A 43 -0.346 -0.297 -4.682 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.018 0.551 -5.891 1.00 0.00 C ATOM 673 CD2 LEU A 43 -0.736 0.588 -3.506 1.00 0.00 C ATOM 0 H LEU A 43 -2.837 -0.887 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.258 -2.022 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.403 -0.688 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.615 -1.947 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 43 0.529 -0.882 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.828 1.232 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.340 -0.097 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.852 1.127 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.084 1.269 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.625 1.164 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.946 -0.034 -2.636 1.00 0.00 H new ATOM 685 N MET A 44 -2.786 -3.792 -5.425 1.00 0.00 N ATOM 686 CA MET A 44 -3.216 -5.148 -5.106 1.00 0.00 C ATOM 687 C MET A 44 -2.945 -6.093 -6.273 1.00 0.00 C ATOM 688 O MET A 44 -2.536 -7.237 -6.077 1.00 0.00 O ATOM 689 CB MET A 44 -4.706 -5.165 -4.757 1.00 0.00 C ATOM 690 CG MET A 44 -5.602 -4.709 -5.897 1.00 0.00 C ATOM 691 SD MET A 44 -7.345 -4.670 -5.437 1.00 0.00 S ATOM 692 CE MET A 44 -7.628 -6.393 -5.037 1.00 0.00 C ATOM 0 H MET A 44 -3.448 -3.065 -5.154 1.00 0.00 H new ATOM 0 HA MET A 44 -2.644 -5.490 -4.243 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.991 -6.176 -4.464 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.876 -4.523 -3.893 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.293 -3.715 -6.221 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.470 -5.377 -6.748 1.00 0.00 H new ATOM 0 HE1 MET A 44 -8.619 -6.688 -5.381 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.875 -7.009 -5.528 1.00 0.00 H new ATOM 0 HE3 MET A 44 -7.563 -6.531 -3.958 1.00 0.00 H new ATOM 702 N LYS A 45 -3.176 -5.607 -7.488 1.00 0.00 N ATOM 703 CA LYS A 45 -2.956 -6.406 -8.687 1.00 0.00 C ATOM 704 C LYS A 45 -1.558 -7.018 -8.685 1.00 0.00 C ATOM 705 O LYS A 45 -1.404 -8.235 -8.595 1.00 0.00 O ATOM 706 CB LYS A 45 -3.146 -5.547 -9.940 1.00 0.00 C ATOM 707 CG LYS A 45 -4.582 -5.496 -10.430 1.00 0.00 C ATOM 708 CD LYS A 45 -4.833 -6.514 -11.529 1.00 0.00 C ATOM 709 CE LYS A 45 -6.044 -7.382 -11.220 1.00 0.00 C ATOM 710 NZ LYS A 45 -7.258 -6.919 -11.947 1.00 0.00 N ATOM 0 H LYS A 45 -3.516 -4.662 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.687 -7.214 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.806 -4.533 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.513 -5.937 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.259 -5.685 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.805 -4.496 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.987 -5.997 -12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.953 -7.145 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.829 -8.415 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.236 -7.369 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.061 -7.536 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.478 -5.942 -11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.084 -6.956 -12.972 1.00 0.00 H new ATOM 724 N ALA A 46 -0.544 -6.165 -8.782 1.00 0.00 N ATOM 725 CA ALA A 46 0.840 -6.622 -8.787 1.00 0.00 C ATOM 726 C ALA A 46 1.181 -7.357 -7.495 1.00 0.00 C ATOM 727 O ALA A 46 1.836 -8.399 -7.517 1.00 0.00 O ATOM 728 CB ALA A 46 1.784 -5.445 -8.991 1.00 0.00 C ATOM 0 H ALA A 46 -0.655 -5.154 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 46 0.962 -7.320 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.814 -5.801 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.565 -4.964 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.650 -4.726 -8.182 1.00 0.00 H new ATOM 734 N TYR A 47 0.732 -6.808 -6.372 1.00 0.00 N ATOM 735 CA TYR A 47 0.991 -7.411 -5.070 1.00 0.00 C ATOM 736 C TYR A 47 0.656 -8.900 -5.082 1.00 0.00 C ATOM 737 O TYR A 47 1.548 -9.748 -5.053 1.00 0.00 O ATOM 738 CB TYR A 47 0.178 -6.703 -3.985 1.00 0.00 C ATOM 739 CG TYR A 47 0.520 -7.152 -2.582 1.00 0.00 C ATOM 740 CD1 TYR A 47 1.835 -7.401 -2.212 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.474 -7.326 -1.627 1.00 0.00 C ATOM 742 CE1 TYR A 47 2.152 -7.812 -0.932 1.00 0.00 C ATOM 743 CE2 TYR A 47 -0.167 -7.735 -0.344 1.00 0.00 C ATOM 744 CZ TYR A 47 1.147 -7.978 -0.001 1.00 0.00 C ATOM 745 OH TYR A 47 1.458 -8.386 1.276 1.00 0.00 O ATOM 0 H TYR A 47 0.187 -5.947 -6.337 1.00 0.00 H new ATOM 0 HA TYR A 47 2.053 -7.298 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.341 -5.628 -4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.883 -6.878 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.624 -7.271 -2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.504 -7.138 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.180 -8.002 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.952 -7.864 0.387 1.00 0.00 H new ATOM 0 HH TYR A 47 1.364 -9.359 1.340 1.00 0.00 H new ATOM 755 N CYS A 48 -0.635 -9.208 -5.126 1.00 0.00 N ATOM 756 CA CYS A 48 -1.090 -10.594 -5.142 1.00 0.00 C ATOM 757 C CYS A 48 -0.375 -11.388 -6.231 1.00 0.00 C ATOM 758 O CYS A 48 -0.103 -12.577 -6.067 1.00 0.00 O ATOM 759 CB CYS A 48 -2.603 -10.653 -5.361 1.00 0.00 C ATOM 760 SG CYS A 48 -3.568 -9.844 -4.064 1.00 0.00 S ATOM 0 H CYS A 48 -1.385 -8.517 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.852 -11.040 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.839 -10.188 -6.318 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.909 -11.697 -5.429 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.835 -9.945 -4.339 1.00 0.00 H new ATOM 766 N GLU A 49 -0.076 -10.723 -7.342 1.00 0.00 N ATOM 767 CA GLU A 49 0.605 -11.369 -8.458 1.00 0.00 C ATOM 768 C GLU A 49 1.859 -12.097 -7.982 1.00 0.00 C ATOM 769 O GLU A 49 2.221 -13.145 -8.517 1.00 0.00 O ATOM 770 CB GLU A 49 0.976 -10.336 -9.525 1.00 0.00 C ATOM 771 CG GLU A 49 1.064 -10.914 -10.927 1.00 0.00 C ATOM 772 CD GLU A 49 -0.269 -11.434 -11.428 1.00 0.00 C ATOM 773 OE1 GLU A 49 -1.314 -10.992 -10.906 1.00 0.00 O ATOM 774 OE2 GLU A 49 -0.268 -12.283 -12.344 1.00 0.00 O ATOM 0 H GLU A 49 -0.294 -9.738 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.077 -12.101 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.236 -9.536 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.934 -9.886 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.431 -10.147 -11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.793 -11.724 -10.937 1.00 0.00 H new ATOM 781 N ARG A 50 2.517 -11.534 -6.975 1.00 0.00 N ATOM 782 CA ARG A 50 3.731 -12.128 -6.428 1.00 0.00 C ATOM 783 C ARG A 50 3.481 -12.687 -5.030 1.00 0.00 C ATOM 784 O ARG A 50 4.260 -13.495 -4.527 1.00 0.00 O ATOM 785 CB ARG A 50 4.855 -11.091 -6.381 1.00 0.00 C ATOM 786 CG ARG A 50 4.644 -10.012 -5.331 1.00 0.00 C ATOM 787 CD ARG A 50 5.836 -9.907 -4.393 1.00 0.00 C ATOM 788 NE ARG A 50 6.186 -11.197 -3.806 1.00 0.00 N ATOM 789 CZ ARG A 50 7.333 -11.432 -3.178 1.00 0.00 C ATOM 790 NH1 ARG A 50 8.235 -10.469 -3.056 1.00 0.00 N ATOM 791 NH2 ARG A 50 7.578 -12.633 -2.670 1.00 0.00 N ATOM 0 H ARG A 50 2.230 -10.667 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 50 4.030 -12.949 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.799 -11.599 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.945 -10.621 -7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.480 -9.053 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.745 -10.234 -4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.693 -9.513 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.610 -9.196 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 50 5.513 -11.960 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.050 -9.544 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.115 -10.652 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.886 -13.376 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.459 -12.813 -2.188 1.00 0.00 H new ATOM 805 N GLN A 51 2.390 -12.249 -4.410 1.00 0.00 N ATOM 806 CA GLN A 51 2.038 -12.705 -3.070 1.00 0.00 C ATOM 807 C GLN A 51 0.607 -13.230 -3.032 1.00 0.00 C ATOM 808 O GLN A 51 -0.184 -12.843 -2.173 1.00 0.00 O ATOM 809 CB GLN A 51 2.204 -11.567 -2.062 1.00 0.00 C ATOM 810 CG GLN A 51 3.600 -11.480 -1.467 1.00 0.00 C ATOM 811 CD GLN A 51 3.939 -12.673 -0.595 1.00 0.00 C ATOM 812 OE1 GLN A 51 3.530 -12.745 0.564 1.00 0.00 O ATOM 813 NE2 GLN A 51 4.690 -13.618 -1.150 1.00 0.00 N ATOM 0 H GLN A 51 1.735 -11.579 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 51 2.711 -13.519 -2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.967 -10.622 -2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.482 -11.699 -1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.330 -11.405 -2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.683 -10.568 -0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.007 -13.517 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.950 -14.445 -0.612 1.00 0.00 H new ATOM 822 N GLY A 52 0.280 -14.114 -3.970 1.00 0.00 N ATOM 823 CA GLY A 52 -1.056 -14.677 -4.026 1.00 0.00 C ATOM 824 C GLY A 52 -1.260 -15.787 -3.015 1.00 0.00 C ATOM 825 O GLY A 52 -1.405 -16.954 -3.383 1.00 0.00 O ATOM 0 H GLY A 52 0.917 -14.450 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.787 -13.888 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.242 -15.064 -5.028 1.00 0.00 H new ATOM 829 N LEU A 53 -1.270 -15.426 -1.736 1.00 0.00 N ATOM 830 CA LEU A 53 -1.456 -16.401 -0.667 1.00 0.00 C ATOM 831 C LEU A 53 -2.935 -16.571 -0.336 1.00 0.00 C ATOM 832 O LEU A 53 -3.410 -17.686 -0.123 1.00 0.00 O ATOM 833 CB LEU A 53 -0.688 -15.969 0.583 1.00 0.00 C ATOM 834 CG LEU A 53 0.758 -15.523 0.363 1.00 0.00 C ATOM 835 CD1 LEU A 53 1.210 -14.604 1.486 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.678 -16.731 0.256 1.00 0.00 C ATOM 0 H LEU A 53 -1.151 -14.465 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.068 -17.359 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.232 -15.150 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.687 -16.799 1.289 1.00 0.00 H new ATOM 0 HG LEU A 53 0.809 -14.969 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.241 -14.297 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.569 -13.723 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.144 -15.132 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.703 -16.395 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.623 -17.313 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.367 -17.352 -0.585 1.00 0.00 H new ATOM 848 N SER A 54 -3.659 -15.457 -0.297 1.00 0.00 N ATOM 849 CA SER A 54 -5.085 -15.482 0.009 1.00 0.00 C ATOM 850 C SER A 54 -5.773 -14.222 -0.506 1.00 0.00 C ATOM 851 O SER A 54 -6.029 -13.287 0.252 1.00 0.00 O ATOM 852 CB SER A 54 -5.301 -15.615 1.518 1.00 0.00 C ATOM 853 OG SER A 54 -4.982 -16.920 1.966 1.00 0.00 O ATOM 0 H SER A 54 -3.282 -14.526 -0.473 1.00 0.00 H new ATOM 0 HA SER A 54 -5.525 -16.345 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.683 -14.886 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.339 -15.387 1.761 1.00 0.00 H new ATOM 0 HG SER A 54 -4.510 -17.403 1.256 1.00 0.00 H new ATOM 859 N MET A 55 -6.071 -14.205 -1.801 1.00 0.00 N ATOM 860 CA MET A 55 -6.731 -13.061 -2.419 1.00 0.00 C ATOM 861 C MET A 55 -8.073 -12.781 -1.749 1.00 0.00 C ATOM 862 O MET A 55 -8.597 -11.670 -1.829 1.00 0.00 O ATOM 863 CB MET A 55 -6.936 -13.309 -3.914 1.00 0.00 C ATOM 864 CG MET A 55 -8.200 -14.090 -4.234 1.00 0.00 C ATOM 865 SD MET A 55 -8.147 -15.782 -3.612 1.00 0.00 S ATOM 866 CE MET A 55 -7.120 -16.566 -4.851 1.00 0.00 C ATOM 0 H MET A 55 -5.866 -14.971 -2.443 1.00 0.00 H new ATOM 0 HA MET A 55 -6.090 -12.189 -2.288 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.971 -12.350 -4.431 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.075 -13.851 -4.305 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.059 -13.576 -3.804 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.348 -14.108 -5.314 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.067 -17.637 -4.655 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.550 -16.399 -5.839 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.117 -16.140 -4.815 1.00 0.00 H new ATOM 876 N ARG A 56 -8.624 -13.796 -1.092 1.00 0.00 N ATOM 877 CA ARG A 56 -9.906 -13.659 -0.410 1.00 0.00 C ATOM 878 C ARG A 56 -9.704 -13.343 1.069 1.00 0.00 C ATOM 879 O ARG A 56 -10.631 -13.461 1.869 1.00 0.00 O ATOM 880 CB ARG A 56 -10.727 -14.941 -0.561 1.00 0.00 C ATOM 881 CG ARG A 56 -12.212 -14.748 -0.297 1.00 0.00 C ATOM 882 CD ARG A 56 -13.008 -15.994 -0.654 1.00 0.00 C ATOM 883 NE ARG A 56 -12.567 -17.161 0.105 1.00 0.00 N ATOM 884 CZ ARG A 56 -13.250 -18.298 0.168 1.00 0.00 C ATOM 885 NH1 ARG A 56 -14.400 -18.421 -0.481 1.00 0.00 N ATOM 886 NH2 ARG A 56 -12.783 -19.316 0.879 1.00 0.00 N ATOM 0 H ARG A 56 -8.203 -14.722 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.447 -12.832 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.594 -15.331 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.339 -15.694 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.367 -14.505 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.579 -13.902 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.066 -15.816 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.907 -16.196 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.686 -17.099 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.762 -17.641 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.923 -19.295 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.898 -19.226 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.309 -20.189 0.926 1.00 0.00 H new ATOM 900 N GLN A 57 -8.488 -12.942 1.422 1.00 0.00 N ATOM 901 CA GLN A 57 -8.165 -12.610 2.805 1.00 0.00 C ATOM 902 C GLN A 57 -7.372 -11.310 2.882 1.00 0.00 C ATOM 903 O GLN A 57 -7.681 -10.429 3.685 1.00 0.00 O ATOM 904 CB GLN A 57 -7.370 -13.746 3.452 1.00 0.00 C ATOM 905 CG GLN A 57 -7.468 -13.769 4.969 1.00 0.00 C ATOM 906 CD GLN A 57 -7.318 -15.165 5.541 1.00 0.00 C ATOM 907 OE1 GLN A 57 -6.192 -15.419 6.196 1.00 0.00 O flip ATOM 908 NE2 GLN A 57 -8.206 -16.006 5.397 1.00 0.00 N flip ATOM 0 H GLN A 57 -7.710 -12.839 0.770 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.101 -12.476 3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.726 -14.698 3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.322 -13.655 3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.697 -13.123 5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.430 -13.357 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.056 -15.768 4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.092 -16.941 5.789 1.00 0.00 H new ATOM 917 N ILE A 58 -6.348 -11.197 2.042 1.00 0.00 N ATOM 918 CA ILE A 58 -5.511 -10.004 2.015 1.00 0.00 C ATOM 919 C ILE A 58 -6.333 -8.763 1.683 1.00 0.00 C ATOM 920 O ILE A 58 -7.062 -8.736 0.691 1.00 0.00 O ATOM 921 CB ILE A 58 -4.370 -10.140 0.990 1.00 0.00 C ATOM 922 CG1 ILE A 58 -3.552 -11.403 1.269 1.00 0.00 C ATOM 923 CG2 ILE A 58 -3.479 -8.907 1.023 1.00 0.00 C ATOM 924 CD1 ILE A 58 -2.392 -11.593 0.317 1.00 0.00 C ATOM 0 H ILE A 58 -6.078 -11.917 1.372 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.082 -9.897 3.011 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.804 -10.224 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.171 -11.362 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.208 -12.272 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.677 -9.018 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.071 -8.024 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.050 -8.795 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.857 -12.507 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.767 -11.666 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.715 -10.742 0.394 1.00 0.00 H new ATOM 936 N ARG A 59 -6.208 -7.737 2.518 1.00 0.00 N ATOM 937 CA ARG A 59 -6.939 -6.492 2.313 1.00 0.00 C ATOM 938 C ARG A 59 -6.178 -5.310 2.906 1.00 0.00 C ATOM 939 O ARG A 59 -5.094 -5.475 3.466 1.00 0.00 O ATOM 940 CB ARG A 59 -8.331 -6.583 2.941 1.00 0.00 C ATOM 941 CG ARG A 59 -9.285 -7.490 2.180 1.00 0.00 C ATOM 942 CD ARG A 59 -9.522 -6.986 0.765 1.00 0.00 C ATOM 943 NE ARG A 59 -10.564 -7.747 0.081 1.00 0.00 N ATOM 944 CZ ARG A 59 -11.061 -7.412 -1.105 1.00 0.00 C ATOM 945 NH1 ARG A 59 -10.612 -6.335 -1.734 1.00 0.00 N ATOM 946 NH2 ARG A 59 -12.007 -8.155 -1.663 1.00 0.00 N ATOM 0 H ARG A 59 -5.608 -7.743 3.343 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.042 -6.334 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.236 -6.947 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.761 -5.583 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.878 -8.500 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.235 -7.548 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.804 -5.934 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.594 -7.050 0.197 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.930 -8.582 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.884 -5.762 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.995 -6.079 -2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.354 -8.985 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.388 -7.897 -2.573 1.00 0.00 H new ATOM 960 N PHE A 60 -6.753 -4.119 2.779 1.00 0.00 N ATOM 961 CA PHE A 60 -6.128 -2.909 3.301 1.00 0.00 C ATOM 962 C PHE A 60 -6.847 -2.424 4.556 1.00 0.00 C ATOM 963 O PHE A 60 -8.073 -2.314 4.578 1.00 0.00 O ATOM 964 CB PHE A 60 -6.133 -1.808 2.239 1.00 0.00 C ATOM 965 CG PHE A 60 -4.945 -1.856 1.321 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.674 -1.578 1.796 1.00 0.00 C ATOM 967 CD2 PHE A 60 -5.100 -2.178 -0.018 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.578 -1.622 0.954 1.00 0.00 C ATOM 969 CE2 PHE A 60 -4.009 -2.223 -0.865 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.747 -1.944 -0.379 1.00 0.00 C ATOM 0 H PHE A 60 -7.651 -3.966 2.319 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.097 -3.147 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.044 -1.890 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.161 -0.837 2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.537 -1.324 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.085 -2.396 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.592 -1.405 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.143 -2.476 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.893 -1.977 -1.040 1.00 0.00 H new ATOM 980 N ARG A 61 -6.076 -2.135 5.599 1.00 0.00 N ATOM 981 CA ARG A 61 -6.639 -1.663 6.859 1.00 0.00 C ATOM 982 C ARG A 61 -5.660 -0.742 7.580 1.00 0.00 C ATOM 983 O ARG A 61 -4.507 -1.106 7.817 1.00 0.00 O ATOM 984 CB ARG A 61 -6.997 -2.848 7.757 1.00 0.00 C ATOM 985 CG ARG A 61 -8.392 -3.399 7.511 1.00 0.00 C ATOM 986 CD ARG A 61 -8.951 -4.076 8.753 1.00 0.00 C ATOM 987 NE ARG A 61 -7.987 -4.991 9.358 1.00 0.00 N ATOM 988 CZ ARG A 61 -8.198 -5.629 10.504 1.00 0.00 C ATOM 989 NH1 ARG A 61 -9.335 -5.454 11.164 1.00 0.00 N ATOM 990 NH2 ARG A 61 -7.272 -6.446 10.991 1.00 0.00 N ATOM 0 H ARG A 61 -5.059 -2.219 5.597 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.544 -1.099 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.269 -3.644 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.916 -2.541 8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.056 -2.590 7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.362 -4.113 6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.237 -3.317 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.856 -4.624 8.491 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.103 -5.149 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.050 -4.829 10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.495 -5.945 12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.397 -6.585 10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.435 -6.935 11.871 1.00 0.00 H new ATOM 1004 N PHE A 62 -6.126 0.453 7.927 1.00 0.00 N ATOM 1005 CA PHE A 62 -5.291 1.428 8.620 1.00 0.00 C ATOM 1006 C PHE A 62 -5.689 1.537 10.089 1.00 0.00 C ATOM 1007 O PHE A 62 -6.802 1.175 10.471 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.403 2.797 7.947 1.00 0.00 C ATOM 1009 CG PHE A 62 -4.405 3.798 8.455 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -3.045 3.574 8.314 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -4.827 4.964 9.074 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -2.125 4.493 8.781 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -3.912 5.887 9.543 1.00 0.00 C ATOM 1014 CZ PHE A 62 -2.559 5.652 9.395 1.00 0.00 C ATOM 0 H PHE A 62 -7.077 0.770 7.740 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.257 1.088 8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.270 2.676 6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.409 3.188 8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.700 2.670 7.833 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.884 5.153 9.191 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.068 4.305 8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.254 6.791 10.025 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.842 6.373 9.759 1.00 0.00 H new ATOM 1024 N ASP A 63 -4.771 2.037 10.909 1.00 0.00 N ATOM 1025 CA ASP A 63 -5.024 2.195 12.336 1.00 0.00 C ATOM 1026 C ASP A 63 -5.924 3.399 12.598 1.00 0.00 C ATOM 1027 O ASP A 63 -5.539 4.333 13.300 1.00 0.00 O ATOM 1028 CB ASP A 63 -3.706 2.353 13.095 1.00 0.00 C ATOM 1029 CG ASP A 63 -2.751 1.203 12.843 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -2.989 0.104 13.387 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -1.767 1.401 12.101 1.00 0.00 O ATOM 0 H ASP A 63 -3.844 2.340 10.609 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.533 1.299 12.691 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.230 3.288 12.800 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.911 2.423 14.163 1.00 0.00 H new ATOM 1036 N GLY A 64 -7.125 3.370 12.028 1.00 0.00 N ATOM 1037 CA GLY A 64 -8.060 4.464 12.211 1.00 0.00 C ATOM 1038 C GLY A 64 -9.423 4.168 11.617 1.00 0.00 C ATOM 1039 O GLY A 64 -10.445 4.595 12.151 1.00 0.00 O ATOM 0 H GLY A 64 -7.467 2.608 11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.168 4.671 13.276 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.655 5.365 11.751 1.00 0.00 H new ATOM 1043 N GLN A 65 -9.436 3.436 10.507 1.00 0.00 N ATOM 1044 CA GLN A 65 -10.684 3.086 9.839 1.00 0.00 C ATOM 1045 C GLN A 65 -10.448 2.031 8.763 1.00 0.00 C ATOM 1046 O GLN A 65 -9.329 1.833 8.288 1.00 0.00 O ATOM 1047 CB GLN A 65 -11.322 4.331 9.219 1.00 0.00 C ATOM 1048 CG GLN A 65 -12.417 4.945 10.076 1.00 0.00 C ATOM 1049 CD GLN A 65 -13.491 5.625 9.251 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -13.759 5.233 8.115 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -14.115 6.650 9.820 1.00 0.00 N ATOM 0 H GLN A 65 -8.598 3.074 10.052 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.363 2.672 10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.547 5.078 9.045 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.738 4.070 8.246 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.873 4.167 10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.975 5.670 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.861 6.941 10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.848 7.146 9.313 1.00 0.00 H new ATOM 1060 N PRO A 66 -11.525 1.337 8.368 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.461 0.291 7.343 1.00 0.00 C ATOM 1062 C PRO A 66 -11.194 0.857 5.952 1.00 0.00 C ATOM 1063 O PRO A 66 -11.102 2.071 5.774 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.849 -0.350 7.402 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.737 0.718 7.942 1.00 0.00 C ATOM 1066 CD PRO A 66 -12.890 1.520 8.890 1.00 0.00 C ATOM 0 HA PRO A 66 -10.646 -0.409 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.177 -0.676 6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.852 -1.230 8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.126 1.345 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.597 0.288 8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.180 2.571 8.897 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.980 1.158 9.914 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.072 -0.031 4.971 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.817 0.382 3.596 1.00 0.00 C ATOM 1076 C ILE A 67 -11.764 -0.319 2.628 1.00 0.00 C ATOM 1077 O ILE A 67 -11.856 -1.546 2.613 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.364 0.087 3.180 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.392 0.604 4.242 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.063 0.716 1.828 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -8.442 2.104 4.429 1.00 0.00 C ATOM 0 H ILE A 67 -11.145 -1.040 5.102 1.00 0.00 H new ATOM 0 HA ILE A 67 -10.987 1.458 3.552 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.238 -0.992 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.615 0.120 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.378 0.314 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.032 0.499 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.738 0.305 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.203 1.795 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.727 2.399 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.190 2.596 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.446 2.399 4.735 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.465 0.469 1.819 1.00 0.00 N ATOM 1094 CA ASN A 68 -13.404 -0.077 0.846 1.00 0.00 C ATOM 1095 C ASN A 68 -12.785 -0.111 -0.548 1.00 0.00 C ATOM 1096 O ASN A 68 -11.923 0.705 -0.874 1.00 0.00 O ATOM 1097 CB ASN A 68 -14.689 0.754 0.825 1.00 0.00 C ATOM 1098 CG ASN A 68 -15.719 0.250 1.818 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -15.498 -0.745 2.507 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -16.853 0.938 1.894 1.00 0.00 N ATOM 0 H ASN A 68 -12.401 1.487 1.818 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.644 -1.098 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.450 1.794 1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.115 0.734 -0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.584 0.647 2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.993 1.757 1.303 1.00 0.00 H new ATOM 1107 N GLU A 69 -13.231 -1.060 -1.365 1.00 0.00 N ATOM 1108 CA GLU A 69 -12.720 -1.199 -2.723 1.00 0.00 C ATOM 1109 C GLU A 69 -12.894 0.098 -3.507 1.00 0.00 C ATOM 1110 O GLU A 69 -12.071 0.441 -4.356 1.00 0.00 O ATOM 1111 CB GLU A 69 -13.434 -2.344 -3.446 1.00 0.00 C ATOM 1112 CG GLU A 69 -14.936 -2.149 -3.559 1.00 0.00 C ATOM 1113 CD GLU A 69 -15.676 -3.449 -3.809 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -16.009 -4.140 -2.824 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -15.922 -3.774 -4.989 1.00 0.00 O ATOM 0 H GLU A 69 -13.944 -1.743 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.656 -1.425 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.013 -2.449 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.236 -3.276 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.309 -1.693 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.148 -1.453 -4.370 1.00 0.00 H new ATOM 1122 N THR A 70 -13.974 0.817 -3.216 1.00 0.00 N ATOM 1123 CA THR A 70 -14.260 2.076 -3.893 1.00 0.00 C ATOM 1124 C THR A 70 -13.771 3.264 -3.073 1.00 0.00 C ATOM 1125 O THR A 70 -14.331 4.358 -3.152 1.00 0.00 O ATOM 1126 CB THR A 70 -15.767 2.239 -4.164 1.00 0.00 C ATOM 1127 OG1 THR A 70 -15.997 3.400 -4.970 1.00 0.00 O ATOM 1128 CG2 THR A 70 -16.541 2.359 -2.860 1.00 0.00 C ATOM 0 H THR A 70 -14.665 0.549 -2.516 1.00 0.00 H new ATOM 0 HA THR A 70 -13.729 2.051 -4.844 1.00 0.00 H new ATOM 0 HB THR A 70 -16.116 1.354 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.462 4.147 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.603 2.473 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.387 1.461 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.188 3.229 -2.306 1.00 0.00 H new ATOM 1136 N ASP A 71 -12.722 3.044 -2.288 1.00 0.00 N ATOM 1137 CA ASP A 71 -12.156 4.098 -1.455 1.00 0.00 C ATOM 1138 C ASP A 71 -10.740 4.446 -1.905 1.00 0.00 C ATOM 1139 O ASP A 71 -9.952 3.564 -2.249 1.00 0.00 O ATOM 1140 CB ASP A 71 -12.147 3.668 0.013 1.00 0.00 C ATOM 1141 CG ASP A 71 -12.587 4.779 0.945 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -12.578 5.952 0.516 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -12.941 4.476 2.104 1.00 0.00 O ATOM 0 H ASP A 71 -12.246 2.145 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.780 4.985 -1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.805 2.809 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.143 3.344 0.287 1.00 0.00 H new ATOM 1148 N THR A 72 -10.424 5.737 -1.901 1.00 0.00 N ATOM 1149 CA THR A 72 -9.104 6.201 -2.311 1.00 0.00 C ATOM 1150 C THR A 72 -8.345 6.807 -1.135 1.00 0.00 C ATOM 1151 O THR A 72 -8.929 7.206 -0.128 1.00 0.00 O ATOM 1152 CB THR A 72 -9.202 7.247 -3.437 1.00 0.00 C ATOM 1153 OG1 THR A 72 -10.404 8.013 -3.292 1.00 0.00 O ATOM 1154 CG2 THR A 72 -9.184 6.576 -4.802 1.00 0.00 C ATOM 0 H THR A 72 -11.064 6.480 -1.619 1.00 0.00 H new ATOM 0 HA THR A 72 -8.563 5.330 -2.680 1.00 0.00 H new ATOM 0 HB THR A 72 -8.339 7.909 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.383 8.775 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.254 7.335 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.255 6.018 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.030 5.893 -4.883 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.012 6.877 -1.265 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.144 7.434 -0.223 1.00 0.00 C ATOM 1164 C PRO A 73 -6.308 8.943 -0.077 1.00 0.00 C ATOM 1165 O PRO A 73 -6.011 9.510 0.974 1.00 0.00 O ATOM 1166 CB PRO A 73 -4.735 7.095 -0.716 1.00 0.00 C ATOM 1167 CG PRO A 73 -4.871 6.970 -2.194 1.00 0.00 C ATOM 1168 CD PRO A 73 -6.249 6.420 -2.438 1.00 0.00 C ATOM 0 HA PRO A 73 -6.376 7.026 0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.023 7.876 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.373 6.168 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.745 7.937 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.108 6.306 -2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.674 6.800 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.240 5.333 -2.513 1.00 0.00 H new ATOM 1176 N ALA A 74 -6.784 9.587 -1.138 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.990 11.030 -1.126 1.00 0.00 C ATOM 1178 C ALA A 74 -8.213 11.404 -0.295 1.00 0.00 C ATOM 1179 O ALA A 74 -8.290 12.504 0.250 1.00 0.00 O ATOM 1180 CB ALA A 74 -7.135 11.554 -2.547 1.00 0.00 C ATOM 0 H ALA A 74 -7.034 9.132 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.116 11.493 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.288 12.633 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.231 11.328 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.990 11.077 -3.025 1.00 0.00 H new ATOM 1186 N GLN A 75 -9.165 10.481 -0.204 1.00 0.00 N ATOM 1187 CA GLN A 75 -10.384 10.715 0.560 1.00 0.00 C ATOM 1188 C GLN A 75 -10.279 10.105 1.954 1.00 0.00 C ATOM 1189 O GLN A 75 -11.271 10.012 2.679 1.00 0.00 O ATOM 1190 CB GLN A 75 -11.592 10.131 -0.175 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.859 10.786 -1.521 1.00 0.00 C ATOM 1192 CD GLN A 75 -13.039 10.169 -2.246 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -14.059 9.847 -1.635 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -12.906 10.000 -3.557 1.00 0.00 N ATOM 0 H GLN A 75 -9.115 9.565 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.516 11.792 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.434 9.063 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.476 10.238 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.044 11.850 -1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.969 10.701 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.043 10.281 -4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.667 9.589 -4.098 1.00 0.00 H new ATOM 1203 N LEU A 76 -9.073 9.690 2.323 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.838 9.088 3.631 1.00 0.00 C ATOM 1205 C LEU A 76 -7.745 9.836 4.387 1.00 0.00 C ATOM 1206 O LEU A 76 -7.444 9.519 5.537 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.449 7.616 3.475 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.580 6.602 3.648 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -10.478 6.588 2.421 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.015 5.214 3.914 1.00 0.00 C ATOM 0 H LEU A 76 -8.242 9.759 1.735 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.762 9.155 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.013 7.479 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.669 7.388 4.201 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.180 6.899 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.277 5.860 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.911 7.578 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.891 6.316 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.834 4.505 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.391 4.908 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.415 5.234 4.824 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.155 10.832 3.732 1.00 0.00 N ATOM 1223 CA GLU A 77 -6.097 11.627 4.344 1.00 0.00 C ATOM 1224 C GLU A 77 -5.001 10.728 4.912 1.00 0.00 C ATOM 1225 O GLU A 77 -4.509 10.955 6.017 1.00 0.00 O ATOM 1226 CB GLU A 77 -6.669 12.514 5.451 1.00 0.00 C ATOM 1227 CG GLU A 77 -7.774 13.443 4.977 1.00 0.00 C ATOM 1228 CD GLU A 77 -8.814 13.708 6.048 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -8.421 14.050 7.183 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -10.019 13.574 5.751 1.00 0.00 O ATOM 0 H GLU A 77 -7.392 11.107 2.779 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.661 12.260 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.056 11.880 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.864 13.110 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.336 14.389 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.260 13.007 4.104 1.00 0.00 H new ATOM 1237 N MET A 78 -4.626 9.708 4.148 1.00 0.00 N ATOM 1238 CA MET A 78 -3.589 8.776 4.574 1.00 0.00 C ATOM 1239 C MET A 78 -2.305 8.989 3.778 1.00 0.00 C ATOM 1240 O MET A 78 -1.939 8.163 2.942 1.00 0.00 O ATOM 1241 CB MET A 78 -4.071 7.333 4.410 1.00 0.00 C ATOM 1242 CG MET A 78 -4.721 7.059 3.064 1.00 0.00 C ATOM 1243 SD MET A 78 -5.293 5.357 2.902 1.00 0.00 S ATOM 1244 CE MET A 78 -3.839 4.575 2.208 1.00 0.00 C ATOM 0 H MET A 78 -5.024 9.506 3.231 1.00 0.00 H new ATOM 0 HA MET A 78 -3.378 8.964 5.627 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.224 6.659 4.539 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.784 7.105 5.202 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.564 7.736 2.928 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.007 7.275 2.269 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.054 3.527 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.562 5.079 1.282 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.015 4.643 2.919 1.00 0.00 H new ATOM 1254 N GLU A 79 -1.627 10.101 4.043 1.00 0.00 N ATOM 1255 CA GLU A 79 -0.385 10.421 3.349 1.00 0.00 C ATOM 1256 C GLU A 79 0.753 10.639 4.343 1.00 0.00 C ATOM 1257 O GLU A 79 0.634 10.304 5.522 1.00 0.00 O ATOM 1258 CB GLU A 79 -0.566 11.669 2.483 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.973 11.827 1.930 1.00 0.00 C ATOM 1260 CD GLU A 79 -2.130 13.077 1.086 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.192 13.900 1.062 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -3.194 13.232 0.449 1.00 0.00 O ATOM 0 H GLU A 79 -1.916 10.795 4.732 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.129 9.577 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.316 12.550 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.139 11.631 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.223 10.953 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.683 11.859 2.756 1.00 0.00 H new ATOM 1269 N ASP A 80 1.854 11.201 3.858 1.00 0.00 N ATOM 1270 CA ASP A 80 3.013 11.465 4.702 1.00 0.00 C ATOM 1271 C ASP A 80 3.635 10.161 5.193 1.00 0.00 C ATOM 1272 O ASP A 80 3.881 9.991 6.387 1.00 0.00 O ATOM 1273 CB ASP A 80 2.615 12.335 5.895 1.00 0.00 C ATOM 1274 CG ASP A 80 3.722 13.284 6.314 1.00 0.00 C ATOM 1275 OD1 ASP A 80 4.500 13.713 5.436 1.00 0.00 O ATOM 1276 OD2 ASP A 80 3.809 13.597 7.520 1.00 0.00 O ATOM 0 H ASP A 80 1.968 11.483 2.884 1.00 0.00 H new ATOM 0 HA ASP A 80 3.753 11.998 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.724 12.910 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.352 11.694 6.737 1.00 0.00 H new ATOM 1281 N GLU A 81 3.886 9.244 4.264 1.00 0.00 N ATOM 1282 CA GLU A 81 4.477 7.955 4.604 1.00 0.00 C ATOM 1283 C GLU A 81 3.547 7.151 5.507 1.00 0.00 C ATOM 1284 O GLU A 81 3.981 6.564 6.498 1.00 0.00 O ATOM 1285 CB GLU A 81 5.828 8.155 5.293 1.00 0.00 C ATOM 1286 CG GLU A 81 6.726 9.160 4.592 1.00 0.00 C ATOM 1287 CD GLU A 81 8.082 9.295 5.259 1.00 0.00 C ATOM 1288 OE1 GLU A 81 8.887 8.345 5.162 1.00 0.00 O ATOM 1289 OE2 GLU A 81 8.338 10.350 5.876 1.00 0.00 O ATOM 0 H GLU A 81 3.690 9.370 3.271 1.00 0.00 H new ATOM 0 HA GLU A 81 4.628 7.398 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.658 8.485 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.344 7.196 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.864 8.856 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.234 10.133 4.577 1.00 0.00 H new ATOM 1296 N ASP A 82 2.265 7.130 5.158 1.00 0.00 N ATOM 1297 CA ASP A 82 1.272 6.398 5.936 1.00 0.00 C ATOM 1298 C ASP A 82 1.465 4.892 5.784 1.00 0.00 C ATOM 1299 O ASP A 82 1.671 4.390 4.679 1.00 0.00 O ATOM 1300 CB ASP A 82 -0.140 6.791 5.500 1.00 0.00 C ATOM 1301 CG ASP A 82 -1.061 7.042 6.677 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -0.617 7.686 7.651 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -2.226 6.596 6.624 1.00 0.00 O ATOM 0 H ASP A 82 1.889 7.612 4.341 1.00 0.00 H new ATOM 0 HA ASP A 82 1.405 6.659 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.090 7.689 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.558 6.000 4.878 1.00 0.00 H new ATOM 1308 N THR A 83 1.398 4.176 6.902 1.00 0.00 N ATOM 1309 CA THR A 83 1.567 2.729 6.894 1.00 0.00 C ATOM 1310 C THR A 83 0.230 2.018 7.073 1.00 0.00 C ATOM 1311 O THR A 83 -0.373 2.071 8.145 1.00 0.00 O ATOM 1312 CB THR A 83 2.532 2.269 8.004 1.00 0.00 C ATOM 1313 OG1 THR A 83 3.715 3.076 7.988 1.00 0.00 O ATOM 1314 CG2 THR A 83 2.906 0.806 7.823 1.00 0.00 C ATOM 0 H THR A 83 1.228 4.575 7.825 1.00 0.00 H new ATOM 0 HA THR A 83 1.989 2.466 5.924 1.00 0.00 H new ATOM 0 HB THR A 83 2.029 2.382 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.323 2.779 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.588 0.504 8.618 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.006 0.193 7.864 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.393 0.672 6.857 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.227 1.353 6.017 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.492 0.631 6.059 1.00 0.00 C ATOM 1324 C ILE A 84 -1.268 -0.855 6.321 1.00 0.00 C ATOM 1325 O ILE A 84 -0.740 -1.573 5.472 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.278 0.795 4.745 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.298 2.264 4.317 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.696 0.266 4.906 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -1.264 2.601 3.266 1.00 0.00 C ATOM 0 H ILE A 84 0.260 1.300 5.122 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.072 1.059 6.876 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.781 0.216 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.288 2.509 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.132 2.892 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.239 0.389 3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.662 -0.791 5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.204 0.821 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.336 3.658 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.268 2.388 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.442 2.000 2.375 1.00 0.00 H new ATOM 1341 N ASP A 85 -1.674 -1.309 7.501 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.521 -2.710 7.875 1.00 0.00 C ATOM 1343 C ASP A 85 -2.268 -3.617 6.903 1.00 0.00 C ATOM 1344 O ASP A 85 -3.494 -3.559 6.800 1.00 0.00 O ATOM 1345 CB ASP A 85 -2.030 -2.939 9.299 1.00 0.00 C ATOM 1346 CG ASP A 85 -0.942 -2.757 10.340 1.00 0.00 C ATOM 1347 OD1 ASP A 85 0.228 -3.066 10.033 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -1.262 -2.307 11.460 1.00 0.00 O ATOM 0 H ASP A 85 -2.112 -0.727 8.215 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.460 -2.957 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.846 -2.246 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.439 -3.946 9.378 1.00 0.00 H new ATOM 1353 N VAL A 86 -1.521 -4.454 6.189 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.113 -5.374 5.225 1.00 0.00 C ATOM 1355 C VAL A 86 -2.311 -6.757 5.834 1.00 0.00 C ATOM 1356 O VAL A 86 -1.565 -7.168 6.723 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.240 -5.501 3.962 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.217 -6.614 4.130 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.108 -5.743 2.737 1.00 0.00 C ATOM 0 H VAL A 86 -0.505 -4.514 6.260 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.083 -4.961 4.948 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.701 -4.564 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.391 -6.689 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.425 -6.392 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.732 -7.559 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.475 -5.830 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.675 -6.664 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.797 -4.908 2.609 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.320 -7.473 5.349 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.617 -8.811 5.845 1.00 0.00 C ATOM 1371 C PHE A 87 -2.929 -9.873 4.993 1.00 0.00 C ATOM 1372 O PHE A 87 -2.742 -9.691 3.790 1.00 0.00 O ATOM 1373 CB PHE A 87 -5.128 -9.050 5.857 1.00 0.00 C ATOM 1374 CG PHE A 87 -5.584 -9.949 6.970 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -5.373 -11.317 6.905 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -6.224 -9.426 8.083 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -5.793 -12.146 7.929 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -6.645 -10.250 9.109 1.00 0.00 C ATOM 1379 CZ PHE A 87 -6.428 -11.612 9.032 1.00 0.00 C ATOM 0 H PHE A 87 -3.946 -7.148 4.612 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.236 -8.886 6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.639 -8.091 5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.426 -9.486 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.875 -11.740 6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.396 -8.362 8.149 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.624 -13.211 7.866 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.143 -9.830 9.970 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.755 -12.258 9.834 1.00 0.00 H new ATOM 1389 N GLN A 88 -2.554 -10.980 5.625 1.00 0.00 N ATOM 1390 CA GLN A 88 -1.885 -12.070 4.925 1.00 0.00 C ATOM 1391 C GLN A 88 -2.120 -13.399 5.636 1.00 0.00 C ATOM 1392 O GLN A 88 -2.354 -13.434 6.844 1.00 0.00 O ATOM 1393 CB GLN A 88 -0.385 -11.793 4.820 1.00 0.00 C ATOM 1394 CG GLN A 88 0.257 -12.378 3.572 1.00 0.00 C ATOM 1395 CD GLN A 88 1.539 -11.667 3.187 1.00 0.00 C ATOM 1396 OE1 GLN A 88 1.531 -10.743 2.373 1.00 0.00 O ATOM 1397 NE2 GLN A 88 2.652 -12.095 3.772 1.00 0.00 N ATOM 0 H GLN A 88 -2.702 -11.146 6.620 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.306 -12.136 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.222 -10.715 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.113 -12.200 5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.468 -13.435 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.449 -12.320 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.613 -12.864 4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.545 -11.655 3.552 1.00 0.00 H new ATOM 1406 N GLN A 89 -2.057 -14.489 4.878 1.00 0.00 N ATOM 1407 CA GLN A 89 -2.265 -15.820 5.437 1.00 0.00 C ATOM 1408 C GLN A 89 -0.992 -16.655 5.340 1.00 0.00 C ATOM 1409 O GLN A 89 -1.043 -17.885 5.366 1.00 0.00 O ATOM 1410 CB GLN A 89 -3.410 -16.528 4.711 1.00 0.00 C ATOM 1411 CG GLN A 89 -4.016 -17.674 5.504 1.00 0.00 C ATOM 1412 CD GLN A 89 -5.201 -18.307 4.802 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -6.346 -17.902 5.004 1.00 0.00 O ATOM 1414 NE2 GLN A 89 -4.932 -19.307 3.970 1.00 0.00 N ATOM 0 H GLN A 89 -1.864 -14.477 3.877 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.526 -15.708 6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.190 -15.801 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.044 -16.910 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.254 -18.433 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.331 -17.308 6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.968 -19.611 3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.689 -19.771 3.469 1.00 0.00 H new ATOM 1423 N GLN A 90 0.147 -15.979 5.228 1.00 0.00 N ATOM 1424 CA GLN A 90 1.432 -16.660 5.126 1.00 0.00 C ATOM 1425 C GLN A 90 2.583 -15.691 5.375 1.00 0.00 C ATOM 1426 O GLN A 90 2.394 -14.474 5.379 1.00 0.00 O ATOM 1427 CB GLN A 90 1.583 -17.306 3.748 1.00 0.00 C ATOM 1428 CG GLN A 90 2.418 -18.577 3.759 1.00 0.00 C ATOM 1429 CD GLN A 90 2.408 -19.294 2.424 1.00 0.00 C ATOM 1430 OE1 GLN A 90 3.225 -19.008 1.547 1.00 0.00 O ATOM 1431 NE2 GLN A 90 1.482 -20.231 2.261 1.00 0.00 N ATOM 0 H GLN A 90 0.206 -14.961 5.206 1.00 0.00 H new ATOM 0 HA GLN A 90 1.464 -17.437 5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.593 -17.535 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 90 2.039 -16.587 3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.445 -18.330 4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.041 -19.248 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.825 -20.435 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.427 -20.747 1.383 1.00 0.00 H new ATOM 1440 N THR A 91 3.777 -16.238 5.582 1.00 0.00 N ATOM 1441 CA THR A 91 4.958 -15.422 5.833 1.00 0.00 C ATOM 1442 C THR A 91 5.664 -15.061 4.531 1.00 0.00 C ATOM 1443 O THR A 91 6.070 -15.938 3.770 1.00 0.00 O ATOM 1444 CB THR A 91 5.953 -16.145 6.760 1.00 0.00 C ATOM 1445 OG1 THR A 91 7.138 -15.356 6.918 1.00 0.00 O ATOM 1446 CG2 THR A 91 6.319 -17.511 6.201 1.00 0.00 C ATOM 0 H THR A 91 3.951 -17.243 5.581 1.00 0.00 H new ATOM 0 HA THR A 91 4.614 -14.510 6.321 1.00 0.00 H new ATOM 0 HB THR A 91 5.476 -16.283 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.765 -15.822 7.510 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.023 -18.002 6.873 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.419 -18.120 6.109 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.778 -17.391 5.219 1.00 0.00 H new ATOM 1454 N GLY A 92 5.807 -13.763 4.281 1.00 0.00 N ATOM 1455 CA GLY A 92 6.465 -13.309 3.070 1.00 0.00 C ATOM 1456 C GLY A 92 7.783 -12.614 3.351 1.00 0.00 C ATOM 1457 O GLY A 92 8.669 -12.580 2.499 1.00 0.00 O ATOM 0 H GLY A 92 5.479 -13.018 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.640 -14.162 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.805 -12.626 2.536 1.00 0.00 H new ATOM 1461 N GLY A 93 7.911 -12.055 4.551 1.00 0.00 N ATOM 1462 CA GLY A 93 9.132 -11.363 4.920 1.00 0.00 C ATOM 1463 C GLY A 93 9.232 -11.121 6.413 1.00 0.00 C ATOM 1464 O GLY A 93 9.357 -12.064 7.195 1.00 0.00 O ATOM 0 H GLY A 93 7.191 -12.069 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.991 -11.948 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.177 -10.408 4.396 1.00 0.00 H new ATOM 1468 N VAL A 94 9.180 -9.854 6.811 1.00 0.00 N ATOM 1469 CA VAL A 94 9.266 -9.491 8.220 1.00 0.00 C ATOM 1470 C VAL A 94 8.217 -8.446 8.584 1.00 0.00 C ATOM 1471 O VAL A 94 7.678 -7.763 7.713 1.00 0.00 O ATOM 1472 CB VAL A 94 10.662 -8.945 8.574 1.00 0.00 C ATOM 1473 CG1 VAL A 94 11.708 -10.044 8.467 1.00 0.00 C ATOM 1474 CG2 VAL A 94 11.018 -7.770 7.677 1.00 0.00 C ATOM 0 H VAL A 94 9.079 -9.061 6.177 1.00 0.00 H new ATOM 0 HA VAL A 94 9.083 -10.400 8.793 1.00 0.00 H new ATOM 0 HB VAL A 94 10.644 -8.592 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.688 -9.640 8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.459 -10.851 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.728 -10.430 7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.008 -7.397 7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.018 -8.094 6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.284 -6.976 7.809 1.00 0.00 H new ATOM 1484 N TYR A 95 7.932 -8.327 9.876 1.00 0.00 N ATOM 1485 CA TYR A 95 6.945 -7.366 10.355 1.00 0.00 C ATOM 1486 C TYR A 95 7.625 -6.119 10.911 1.00 0.00 C ATOM 1487 O TYR A 95 8.716 -6.193 11.474 1.00 0.00 O ATOM 1488 CB TYR A 95 6.064 -8.003 11.431 1.00 0.00 C ATOM 1489 CG TYR A 95 6.848 -8.662 12.544 1.00 0.00 C ATOM 1490 CD1 TYR A 95 7.299 -7.926 13.633 1.00 0.00 C ATOM 1491 CD2 TYR A 95 7.139 -10.020 12.506 1.00 0.00 C ATOM 1492 CE1 TYR A 95 8.016 -8.523 14.651 1.00 0.00 C ATOM 1493 CE2 TYR A 95 7.854 -10.626 13.521 1.00 0.00 C ATOM 1494 CZ TYR A 95 8.291 -9.874 14.591 1.00 0.00 C ATOM 1495 OH TYR A 95 9.004 -10.473 15.603 1.00 0.00 O ATOM 0 H TYR A 95 8.370 -8.884 10.610 1.00 0.00 H new ATOM 0 HA TYR A 95 6.321 -7.072 9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.416 -7.238 11.858 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.416 -8.746 10.965 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.085 -6.869 13.684 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.800 -10.612 11.669 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.360 -7.936 15.490 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.070 -11.683 13.477 1.00 0.00 H new ATOM 0 HH TYR A 95 9.110 -11.428 15.408 1.00 0.00 H new TER 1505 TYR A 95