USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 736 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 Single : A 1 ALA N :NH3+ 157:sc= -0.0312 (180deg=-0.734) USER MOD Single : A 2 GLN : amide:sc= -2.5 X(o=-2.5,f=-3!) USER MOD Single : A 4 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.071) USER MOD Single : A 9 SER OG : rot -88:sc= 0.864 USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= -0.381 (180deg=-1.56) USER MOD Single : A 15 ASN : amide:sc= 0.0868 X(o=0.087,f=-0.048) USER MOD Single : A 16 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.4!) USER MOD Single : A 17 TYR OH : rot -100:sc= -2.51! USER MOD Single : A 20 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-3.6!) USER MOD Single : A 21 SER OG : rot -135:sc= -0.666! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0269 (180deg=-0.256) USER MOD Single : A 36 GLN : amide:sc= -0.112 K(o=-0.11,f=-3.1!) USER MOD Single : A 37 SER OG : rot 33:sc= 0.177 USER MOD Single : A 38 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.45) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00523 USER MOD Single : A 60 GLN : amide:sc= -0.698 K(o=-0.7,f=-0.097) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc=-0.00393 (180deg=-0.327) USER MOD Single : A 66 ASN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.987 K(o=-0.99,f=-3.6) USER MOD Single : A 68 SER OG : rot 180:sc= 0.409 USER MOD Single : A 70 THR OG1 : rot 43:sc= 1.27 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 95 ASN : amide:sc=-0.000609 X(o=-0.00061,f=-0.36) USER MOD Single : A 99 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.22) USER MOD Single : A 100 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.0069) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.34) USER MOD Single : A 103 HIS : no HD1:sc= -0.0665 X(o=-0.067,f=-0.53) USER MOD Single : A 104 HIS : no HD1:sc=-0.00544 X(o=-0.0054,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.230 -0.022 -0.160 1.00 0.00 N ATOM 2 CA ALA A 1 2.015 -0.022 -1.388 1.00 0.00 C ATOM 3 C ALA A 1 2.196 -1.438 -1.924 1.00 0.00 C ATOM 4 O ALA A 1 3.037 -2.192 -1.437 1.00 0.00 O ATOM 5 CB ALA A 1 3.368 0.632 -1.150 1.00 0.00 C ATOM 0 H1 ALA A 1 1.437 0.840 0.384 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.217 -0.048 -0.395 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.475 -0.858 0.408 1.00 0.00 H new ATOM 0 HA ALA A 1 1.472 0.555 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.943 0.625 -2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.222 1.661 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.909 0.079 -0.382 1.00 0.00 H new ATOM 11 N GLN A 2 1.401 -1.792 -2.929 1.00 0.00 N ATOM 12 CA GLN A 2 1.474 -3.119 -3.529 1.00 0.00 C ATOM 13 C GLN A 2 2.894 -3.430 -3.991 1.00 0.00 C ATOM 14 O GLN A 2 3.460 -2.715 -4.818 1.00 0.00 O ATOM 15 CB GLN A 2 0.507 -3.221 -4.711 1.00 0.00 C ATOM 16 CG GLN A 2 0.616 -4.531 -5.474 1.00 0.00 C ATOM 17 CD GLN A 2 0.132 -5.719 -4.666 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.928 -5.669 -4.041 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.909 -6.796 -4.673 1.00 0.00 N ATOM 0 H GLN A 2 0.700 -1.179 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 2 1.190 -3.849 -2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.514 -3.107 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.695 -2.394 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.035 -4.461 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.654 -4.693 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.779 -6.794 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.635 -7.626 -4.146 1.00 0.00 H new ATOM 28 N VAL A 3 3.465 -4.502 -3.450 1.00 0.00 N ATOM 29 CA VAL A 3 4.819 -4.909 -3.807 1.00 0.00 C ATOM 30 C VAL A 3 4.905 -6.418 -4.005 1.00 0.00 C ATOM 31 O VAL A 3 4.606 -7.191 -3.096 1.00 0.00 O ATOM 32 CB VAL A 3 5.834 -4.485 -2.729 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.229 -4.977 -3.086 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.822 -2.974 -2.551 1.00 0.00 C ATOM 0 H VAL A 3 3.011 -5.104 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 3 5.064 -4.408 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 3 5.545 -4.942 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.933 -4.668 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.224 -6.065 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.531 -4.551 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.545 -2.692 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.086 -2.494 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.826 -2.651 -2.246 1.00 0.00 H new ATOM 44 N ASN A 4 5.316 -6.830 -5.200 1.00 0.00 N ATOM 45 CA ASN A 4 5.442 -8.247 -5.518 1.00 0.00 C ATOM 46 C ASN A 4 6.889 -8.605 -5.845 1.00 0.00 C ATOM 47 O ASN A 4 7.456 -8.110 -6.818 1.00 0.00 O ATOM 48 CB ASN A 4 4.537 -8.609 -6.697 1.00 0.00 C ATOM 49 CG ASN A 4 4.441 -7.491 -7.717 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.552 -6.643 -7.644 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.360 -7.485 -8.676 1.00 0.00 N ATOM 0 H ASN A 4 5.567 -6.202 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 4 5.134 -8.819 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.919 -9.508 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.540 -8.846 -6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.347 -6.757 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.079 -8.208 -8.698 1.00 0.00 H new ATOM 58 N ILE A 5 7.478 -9.469 -5.025 1.00 0.00 N ATOM 59 CA ILE A 5 8.857 -9.894 -5.227 1.00 0.00 C ATOM 60 C ILE A 5 8.958 -11.414 -5.306 1.00 0.00 C ATOM 61 O ILE A 5 8.314 -12.129 -4.540 1.00 0.00 O ATOM 62 CB ILE A 5 9.775 -9.388 -4.099 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.644 -7.871 -3.947 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.219 -9.775 -4.376 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.076 -7.359 -2.591 1.00 0.00 C ATOM 0 H ILE A 5 7.022 -9.888 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 5 9.185 -9.460 -6.172 1.00 0.00 H new ATOM 0 HB ILE A 5 9.468 -9.856 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.242 -7.384 -4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.607 -7.585 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.855 -9.410 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.299 -10.860 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.540 -9.333 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.956 -6.276 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.462 -7.818 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.122 -7.614 -2.422 1.00 0.00 H new ATOM 77 N ALA A 6 9.773 -11.900 -6.237 1.00 0.00 N ATOM 78 CA ALA A 6 9.961 -13.334 -6.413 1.00 0.00 C ATOM 79 C ALA A 6 11.084 -13.854 -5.522 1.00 0.00 C ATOM 80 O ALA A 6 12.179 -13.292 -5.470 1.00 0.00 O ATOM 81 CB ALA A 6 10.252 -13.653 -7.872 1.00 0.00 C ATOM 0 H ALA A 6 10.313 -11.321 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 6 9.038 -13.835 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.390 -14.728 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.416 -13.325 -8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.159 -13.135 -8.184 1.00 0.00 H new ATOM 87 N PRO A 7 10.810 -14.952 -4.802 1.00 0.00 N ATOM 88 CA PRO A 7 11.785 -15.572 -3.900 1.00 0.00 C ATOM 89 C PRO A 7 12.934 -16.233 -4.653 1.00 0.00 C ATOM 90 O PRO A 7 13.178 -15.933 -5.821 1.00 0.00 O ATOM 91 CB PRO A 7 10.960 -16.622 -3.153 1.00 0.00 C ATOM 92 CG PRO A 7 9.835 -16.946 -4.075 1.00 0.00 C ATOM 93 CD PRO A 7 9.526 -15.674 -4.815 1.00 0.00 C ATOM 0 HA PRO A 7 12.259 -14.839 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.555 -17.507 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.594 -16.235 -2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.114 -17.742 -4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.964 -17.296 -3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.187 -15.873 -5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.739 -15.103 -4.322 1.00 0.00 H new ATOM 101 N GLY A 8 13.636 -17.137 -3.977 1.00 0.00 N ATOM 102 CA GLY A 8 14.751 -17.828 -4.600 1.00 0.00 C ATOM 103 C GLY A 8 16.092 -17.338 -4.093 1.00 0.00 C ATOM 104 O GLY A 8 17.134 -17.904 -4.425 1.00 0.00 O ATOM 0 H GLY A 8 13.453 -17.403 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.663 -18.898 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.702 -17.690 -5.680 1.00 0.00 H new ATOM 108 N SER A 9 16.069 -16.281 -3.287 1.00 0.00 N ATOM 109 CA SER A 9 17.293 -15.710 -2.738 1.00 0.00 C ATOM 110 C SER A 9 16.982 -14.517 -1.840 1.00 0.00 C ATOM 111 O SER A 9 16.441 -13.508 -2.294 1.00 0.00 O ATOM 112 CB SER A 9 18.233 -15.282 -3.867 1.00 0.00 C ATOM 113 OG SER A 9 19.460 -15.988 -3.804 1.00 0.00 O ATOM 0 H SER A 9 15.215 -15.803 -3.000 1.00 0.00 H new ATOM 0 HA SER A 9 17.783 -16.476 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.755 -15.462 -4.830 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.422 -14.211 -3.800 1.00 0.00 H new ATOM 0 HG SER A 9 20.086 -15.505 -3.225 1.00 0.00 H new ATOM 119 N LEU A 10 17.327 -14.640 -0.563 1.00 0.00 N ATOM 120 CA LEU A 10 17.085 -13.572 0.401 1.00 0.00 C ATOM 121 C LEU A 10 17.805 -12.292 -0.012 1.00 0.00 C ATOM 122 O LEU A 10 17.301 -11.189 0.199 1.00 0.00 O ATOM 123 CB LEU A 10 17.545 -14.002 1.795 1.00 0.00 C ATOM 124 CG LEU A 10 17.704 -12.883 2.825 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.359 -13.386 4.218 1.00 0.00 C ATOM 126 CD2 LEU A 10 19.120 -12.325 2.792 1.00 0.00 C ATOM 0 H LEU A 10 17.775 -15.468 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 10 16.014 -13.373 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 10 16.830 -14.727 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.501 -14.517 1.697 1.00 0.00 H new ATOM 0 HG LEU A 10 17.012 -12.080 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.478 -12.576 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.327 -13.736 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.025 -14.207 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.215 -11.530 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.830 -13.120 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.331 -11.925 1.800 1.00 0.00 H new ATOM 138 N ASP A 11 18.985 -12.448 -0.603 1.00 0.00 N ATOM 139 CA ASP A 11 19.773 -11.305 -1.050 1.00 0.00 C ATOM 140 C ASP A 11 18.970 -10.433 -2.011 1.00 0.00 C ATOM 141 O ASP A 11 18.926 -9.211 -1.868 1.00 0.00 O ATOM 142 CB ASP A 11 21.060 -11.779 -1.726 1.00 0.00 C ATOM 143 CG ASP A 11 20.835 -12.979 -2.623 1.00 0.00 C ATOM 144 OD1 ASP A 11 20.559 -14.074 -2.091 1.00 0.00 O ATOM 145 OD2 ASP A 11 20.935 -12.824 -3.859 1.00 0.00 O ATOM 0 H ASP A 11 19.417 -13.354 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 11 20.030 -10.708 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.480 -10.963 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.796 -12.033 -0.963 1.00 0.00 H new ATOM 150 N LYS A 12 18.338 -11.070 -2.991 1.00 0.00 N ATOM 151 CA LYS A 12 17.536 -10.354 -3.976 1.00 0.00 C ATOM 152 C LYS A 12 16.271 -9.786 -3.340 1.00 0.00 C ATOM 153 O LYS A 12 16.017 -8.584 -3.409 1.00 0.00 O ATOM 154 CB LYS A 12 17.164 -11.283 -5.134 1.00 0.00 C ATOM 155 CG LYS A 12 18.360 -11.968 -5.772 1.00 0.00 C ATOM 156 CD LYS A 12 17.986 -13.326 -6.342 1.00 0.00 C ATOM 157 CE LYS A 12 17.463 -13.208 -7.765 1.00 0.00 C ATOM 158 NZ LYS A 12 16.206 -12.412 -7.830 1.00 0.00 N ATOM 0 H LYS A 12 18.366 -12.081 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 12 18.132 -9.526 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.472 -12.043 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.636 -10.708 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.761 -11.337 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.150 -12.089 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.857 -13.981 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.227 -13.790 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.222 -12.741 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.283 -14.204 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.647 -12.713 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.653 -12.564 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.439 -11.402 -7.919 1.00 0.00 H new ATOM 172 N ALA A 13 15.483 -10.658 -2.720 1.00 0.00 N ATOM 173 CA ALA A 13 14.247 -10.242 -2.068 1.00 0.00 C ATOM 174 C ALA A 13 14.488 -9.057 -1.140 1.00 0.00 C ATOM 175 O ALA A 13 13.655 -8.155 -1.039 1.00 0.00 O ATOM 176 CB ALA A 13 13.641 -11.405 -1.297 1.00 0.00 C ATOM 0 H ALA A 13 15.678 -11.657 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 13 13.545 -9.927 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.719 -11.081 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.423 -12.223 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.346 -11.746 -0.539 1.00 0.00 H new ATOM 182 N LEU A 14 15.631 -9.064 -0.463 1.00 0.00 N ATOM 183 CA LEU A 14 15.981 -7.989 0.459 1.00 0.00 C ATOM 184 C LEU A 14 16.142 -6.666 -0.283 1.00 0.00 C ATOM 185 O LEU A 14 15.594 -5.644 0.126 1.00 0.00 O ATOM 186 CB LEU A 14 17.274 -8.330 1.203 1.00 0.00 C ATOM 187 CG LEU A 14 18.112 -7.140 1.671 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.336 -6.301 2.675 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.425 -7.617 2.274 1.00 0.00 C ATOM 0 H LEU A 14 16.331 -9.802 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 14 15.170 -7.884 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.020 -8.935 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.891 -8.950 0.553 1.00 0.00 H new ATOM 0 HG LEU A 14 18.337 -6.517 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.949 -5.459 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.423 -5.929 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.079 -6.913 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.009 -6.757 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.220 -8.263 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.988 -8.174 1.525 1.00 0.00 H new ATOM 201 N ASN A 15 16.895 -6.695 -1.378 1.00 0.00 N ATOM 202 CA ASN A 15 17.126 -5.499 -2.179 1.00 0.00 C ATOM 203 C ASN A 15 15.852 -5.074 -2.902 1.00 0.00 C ATOM 204 O ASN A 15 15.616 -3.885 -3.117 1.00 0.00 O ATOM 205 CB ASN A 15 18.243 -5.747 -3.194 1.00 0.00 C ATOM 206 CG ASN A 15 19.620 -5.715 -2.559 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.442 -4.856 -2.876 1.00 0.00 O ATOM 208 ND2 ASN A 15 19.877 -6.655 -1.656 1.00 0.00 N ATOM 0 H ASN A 15 17.356 -7.534 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 15 17.427 -4.695 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.088 -6.715 -3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.191 -4.993 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.786 -6.684 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.165 -7.348 -1.424 1.00 0.00 H new ATOM 215 N GLN A 16 15.034 -6.053 -3.273 1.00 0.00 N ATOM 216 CA GLN A 16 13.784 -5.780 -3.972 1.00 0.00 C ATOM 217 C GLN A 16 12.879 -4.880 -3.138 1.00 0.00 C ATOM 218 O GLN A 16 12.456 -3.816 -3.592 1.00 0.00 O ATOM 219 CB GLN A 16 13.061 -7.088 -4.298 1.00 0.00 C ATOM 220 CG GLN A 16 13.882 -8.041 -5.153 1.00 0.00 C ATOM 221 CD GLN A 16 13.354 -8.156 -6.569 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.471 -7.402 -6.979 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.893 -9.105 -7.326 1.00 0.00 N ATOM 0 H GLN A 16 15.214 -7.042 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 16 14.023 -5.263 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.794 -7.587 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.130 -6.859 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.916 -7.698 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.886 -9.027 -4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.623 -9.708 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.577 -9.231 -8.288 1.00 0.00 H new ATOM 232 N TYR A 17 12.586 -5.313 -1.917 1.00 0.00 N ATOM 233 CA TYR A 17 11.729 -4.547 -1.020 1.00 0.00 C ATOM 234 C TYR A 17 12.450 -3.304 -0.506 1.00 0.00 C ATOM 235 O TYR A 17 11.844 -2.246 -0.339 1.00 0.00 O ATOM 236 CB TYR A 17 11.283 -5.415 0.158 1.00 0.00 C ATOM 237 CG TYR A 17 12.186 -5.306 1.367 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.020 -4.284 2.293 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.205 -6.226 1.582 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.843 -4.180 3.397 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.032 -6.131 2.685 1.00 0.00 C ATOM 242 CZ TYR A 17 13.847 -5.106 3.589 1.00 0.00 C ATOM 243 OH TYR A 17 14.668 -5.007 4.689 1.00 0.00 O ATOM 0 H TYR A 17 12.929 -6.190 -1.526 1.00 0.00 H new ATOM 0 HA TYR A 17 10.851 -4.229 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.270 -5.131 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.244 -6.456 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.234 -3.558 2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.353 -7.029 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.701 -3.378 4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.819 -6.855 2.838 1.00 0.00 H new ATOM 0 HH TYR A 17 15.517 -4.592 4.428 1.00 0.00 H new ATOM 253 N ALA A 18 13.748 -3.441 -0.258 1.00 0.00 N ATOM 254 CA ALA A 18 14.554 -2.331 0.234 1.00 0.00 C ATOM 255 C ALA A 18 14.569 -1.179 -0.766 1.00 0.00 C ATOM 256 O ALA A 18 14.644 -0.012 -0.382 1.00 0.00 O ATOM 257 CB ALA A 18 15.972 -2.796 0.527 1.00 0.00 C ATOM 0 H ALA A 18 14.264 -4.311 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 18 14.104 -1.970 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.562 -1.956 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.949 -3.581 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.423 -3.185 -0.386 1.00 0.00 H new ATOM 263 N ALA A 19 14.498 -1.515 -2.050 1.00 0.00 N ATOM 264 CA ALA A 19 14.503 -0.509 -3.104 1.00 0.00 C ATOM 265 C ALA A 19 13.132 0.143 -3.247 1.00 0.00 C ATOM 266 O ALA A 19 13.023 1.301 -3.652 1.00 0.00 O ATOM 267 CB ALA A 19 14.934 -1.130 -4.425 1.00 0.00 C ATOM 0 H ALA A 19 14.436 -2.476 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 19 15.218 0.266 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.933 -0.367 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.938 -1.543 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.240 -1.926 -4.696 1.00 0.00 H new ATOM 273 N HIS A 20 12.087 -0.607 -2.912 1.00 0.00 N ATOM 274 CA HIS A 20 10.722 -0.101 -3.003 1.00 0.00 C ATOM 275 C HIS A 20 10.412 0.839 -1.842 1.00 0.00 C ATOM 276 O HIS A 20 9.562 1.722 -1.955 1.00 0.00 O ATOM 277 CB HIS A 20 9.726 -1.261 -3.015 1.00 0.00 C ATOM 278 CG HIS A 20 8.898 -1.352 -1.770 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.821 -0.527 -1.520 1.00 0.00 N ATOM 280 CD2 HIS A 20 8.992 -2.179 -0.702 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.291 -0.841 -0.352 1.00 0.00 C ATOM 282 NE2 HIS A 20 7.982 -1.841 0.165 1.00 0.00 N ATOM 0 H HIS A 20 12.159 -1.567 -2.575 1.00 0.00 H new ATOM 0 HA HIS A 20 10.629 0.458 -3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.064 -1.152 -3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.271 -2.196 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.725 -2.959 -0.559 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.437 -0.361 0.103 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.796 -2.289 1.062 1.00 0.00 H new ATOM 290 N SER A 21 11.108 0.643 -0.726 1.00 0.00 N ATOM 291 CA SER A 21 10.904 1.470 0.457 1.00 0.00 C ATOM 292 C SER A 21 11.722 2.755 0.370 1.00 0.00 C ATOM 293 O SER A 21 11.173 3.856 0.376 1.00 0.00 O ATOM 294 CB SER A 21 11.285 0.695 1.720 1.00 0.00 C ATOM 295 OG SER A 21 11.392 1.560 2.837 1.00 0.00 O ATOM 0 H SER A 21 11.818 -0.081 -0.617 1.00 0.00 H new ATOM 0 HA SER A 21 9.848 1.734 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.536 -0.071 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.233 0.181 1.563 1.00 0.00 H new ATOM 0 HG SER A 21 12.206 1.347 3.339 1.00 0.00 H new ATOM 301 N GLY A 22 13.041 2.605 0.287 1.00 0.00 N ATOM 302 CA GLY A 22 13.915 3.760 0.200 1.00 0.00 C ATOM 303 C GLY A 22 14.754 3.948 1.448 1.00 0.00 C ATOM 304 O GLY A 22 15.196 5.058 1.746 1.00 0.00 O ATOM 0 H GLY A 22 13.519 1.704 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.572 3.650 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.315 4.654 0.032 1.00 0.00 H new ATOM 308 N PHE A 23 14.973 2.862 2.181 1.00 0.00 N ATOM 309 CA PHE A 23 15.763 2.913 3.406 1.00 0.00 C ATOM 310 C PHE A 23 16.954 1.962 3.325 1.00 0.00 C ATOM 311 O PHE A 23 17.054 1.150 2.405 1.00 0.00 O ATOM 312 CB PHE A 23 14.893 2.557 4.613 1.00 0.00 C ATOM 313 CG PHE A 23 14.729 1.078 4.820 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.035 0.310 3.899 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.269 0.457 5.934 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.882 -1.051 4.087 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.119 -0.904 6.127 1.00 0.00 C ATOM 318 CZ PHE A 23 14.426 -1.658 5.201 1.00 0.00 C ATOM 0 H PHE A 23 14.615 1.936 1.948 1.00 0.00 H new ATOM 0 HA PHE A 23 16.139 3.929 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.333 2.994 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.909 3.009 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.609 0.780 3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.813 1.042 6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.337 -1.639 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.543 -1.376 7.001 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.310 -2.722 5.348 1.00 0.00 H new ATOM 328 N THR A 24 17.856 2.069 4.296 1.00 0.00 N ATOM 329 CA THR A 24 19.041 1.221 4.336 1.00 0.00 C ATOM 330 C THR A 24 18.915 0.151 5.414 1.00 0.00 C ATOM 331 O THR A 24 18.250 0.354 6.430 1.00 0.00 O ATOM 332 CB THR A 24 20.314 2.048 4.594 1.00 0.00 C ATOM 333 OG1 THR A 24 20.358 3.171 3.707 1.00 0.00 O ATOM 334 CG2 THR A 24 21.560 1.196 4.404 1.00 0.00 C ATOM 0 H THR A 24 17.788 2.735 5.066 1.00 0.00 H new ATOM 0 HA THR A 24 19.120 0.741 3.360 1.00 0.00 H new ATOM 0 HB THR A 24 20.288 2.401 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.170 3.692 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.447 1.801 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.538 0.359 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.589 0.817 3.383 1.00 0.00 H new ATOM 342 N LEU A 25 19.559 -0.989 5.187 1.00 0.00 N ATOM 343 CA LEU A 25 19.520 -2.092 6.140 1.00 0.00 C ATOM 344 C LEU A 25 20.892 -2.745 6.273 1.00 0.00 C ATOM 345 O LEU A 25 21.572 -2.993 5.278 1.00 0.00 O ATOM 346 CB LEU A 25 18.488 -3.133 5.703 1.00 0.00 C ATOM 347 CG LEU A 25 18.302 -4.328 6.639 1.00 0.00 C ATOM 348 CD1 LEU A 25 17.067 -4.140 7.507 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.204 -5.620 5.842 1.00 0.00 C ATOM 0 H LEU A 25 20.114 -1.173 4.351 1.00 0.00 H new ATOM 0 HA LEU A 25 19.233 -1.690 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.526 -2.635 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.773 -3.508 4.720 1.00 0.00 H new ATOM 0 HG LEU A 25 19.173 -4.392 7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.951 -5.000 8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.177 -3.236 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.186 -4.049 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.072 -6.459 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.352 -5.566 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.118 -5.762 5.265 1.00 0.00 H new ATOM 361 N SER A 26 21.292 -3.023 7.510 1.00 0.00 N ATOM 362 CA SER A 26 22.584 -3.645 7.774 1.00 0.00 C ATOM 363 C SER A 26 22.408 -4.971 8.510 1.00 0.00 C ATOM 364 O SER A 26 22.153 -4.997 9.714 1.00 0.00 O ATOM 365 CB SER A 26 23.468 -2.706 8.597 1.00 0.00 C ATOM 366 OG SER A 26 24.600 -2.290 7.853 1.00 0.00 O ATOM 0 H SER A 26 20.740 -2.827 8.345 1.00 0.00 H new ATOM 0 HA SER A 26 23.067 -3.841 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.891 -1.834 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.792 -3.211 9.507 1.00 0.00 H new ATOM 0 HG SER A 26 25.148 -1.689 8.400 1.00 0.00 H new ATOM 372 N VAL A 27 22.546 -6.070 7.776 1.00 0.00 N ATOM 373 CA VAL A 27 22.403 -7.400 8.357 1.00 0.00 C ATOM 374 C VAL A 27 23.556 -8.307 7.942 1.00 0.00 C ATOM 375 O VAL A 27 23.978 -8.303 6.785 1.00 0.00 O ATOM 376 CB VAL A 27 21.073 -8.055 7.939 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.873 -7.946 6.435 1.00 0.00 C ATOM 378 CG2 VAL A 27 21.032 -9.508 8.387 1.00 0.00 C ATOM 0 H VAL A 27 22.757 -6.066 6.778 1.00 0.00 H new ATOM 0 HA VAL A 27 22.413 -7.276 9.440 1.00 0.00 H new ATOM 0 HB VAL A 27 20.257 -7.524 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.928 -8.414 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.856 -6.895 6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.692 -8.450 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.086 -9.956 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.856 -10.054 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.125 -9.557 9.472 1.00 0.00 H new ATOM 388 N ASP A 28 24.062 -9.084 8.894 1.00 0.00 N ATOM 389 CA ASP A 28 25.166 -9.999 8.627 1.00 0.00 C ATOM 390 C ASP A 28 24.753 -11.072 7.625 1.00 0.00 C ATOM 391 O ASP A 28 24.189 -12.100 7.998 1.00 0.00 O ATOM 392 CB ASP A 28 25.639 -10.652 9.927 1.00 0.00 C ATOM 393 CG ASP A 28 24.487 -11.140 10.783 1.00 0.00 C ATOM 394 OD1 ASP A 28 24.064 -12.301 10.604 1.00 0.00 O ATOM 395 OD2 ASP A 28 24.007 -10.359 11.632 1.00 0.00 O ATOM 0 H ASP A 28 23.725 -9.098 9.857 1.00 0.00 H new ATOM 0 HA ASP A 28 25.987 -9.424 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 28 26.293 -11.491 9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.232 -9.935 10.495 1.00 0.00 H new ATOM 400 N ALA A 29 25.036 -10.825 6.350 1.00 0.00 N ATOM 401 CA ALA A 29 24.695 -11.770 5.294 1.00 0.00 C ATOM 402 C ALA A 29 25.645 -12.963 5.298 1.00 0.00 C ATOM 403 O ALA A 29 25.456 -13.921 4.548 1.00 0.00 O ATOM 404 CB ALA A 29 24.718 -11.078 3.939 1.00 0.00 C ATOM 0 H ALA A 29 25.501 -9.978 6.024 1.00 0.00 H new ATOM 0 HA ALA A 29 23.687 -12.141 5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.461 -11.796 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 29 23.994 -10.263 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.715 -10.679 3.751 1.00 0.00 H new ATOM 410 N SER A 30 26.667 -12.898 6.145 1.00 0.00 N ATOM 411 CA SER A 30 27.649 -13.971 6.242 1.00 0.00 C ATOM 412 C SER A 30 26.969 -15.304 6.541 1.00 0.00 C ATOM 413 O SER A 30 27.226 -16.308 5.874 1.00 0.00 O ATOM 414 CB SER A 30 28.676 -13.654 7.331 1.00 0.00 C ATOM 415 OG SER A 30 29.602 -14.716 7.483 1.00 0.00 O ATOM 0 H SER A 30 26.836 -12.113 6.774 1.00 0.00 H new ATOM 0 HA SER A 30 28.160 -14.051 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.208 -12.737 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 30 28.164 -13.475 8.277 1.00 0.00 H new ATOM 0 HG SER A 30 30.249 -14.489 8.183 1.00 0.00 H new ATOM 421 N LEU A 31 26.102 -15.306 7.546 1.00 0.00 N ATOM 422 CA LEU A 31 25.384 -16.515 7.935 1.00 0.00 C ATOM 423 C LEU A 31 24.135 -16.705 7.080 1.00 0.00 C ATOM 424 O LEU A 31 23.838 -17.814 6.632 1.00 0.00 O ATOM 425 CB LEU A 31 24.998 -16.450 9.414 1.00 0.00 C ATOM 426 CG LEU A 31 26.092 -15.979 10.373 1.00 0.00 C ATOM 427 CD1 LEU A 31 25.991 -14.479 10.603 1.00 0.00 C ATOM 428 CD2 LEU A 31 26.003 -16.730 11.693 1.00 0.00 C ATOM 0 H LEU A 31 25.878 -14.484 8.107 1.00 0.00 H new ATOM 0 HA LEU A 31 26.045 -17.367 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.141 -15.784 9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.670 -17.441 9.727 1.00 0.00 H new ATOM 0 HG LEU A 31 27.061 -16.192 9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.777 -14.162 11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.105 -13.957 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.018 -14.242 11.033 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.789 -16.382 12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.030 -16.549 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.126 -17.798 11.513 1.00 0.00 H new ATOM 440 N THR A 32 23.407 -15.616 6.854 1.00 0.00 N ATOM 441 CA THR A 32 22.191 -15.662 6.052 1.00 0.00 C ATOM 442 C THR A 32 22.469 -16.231 4.665 1.00 0.00 C ATOM 443 O THR A 32 21.649 -16.961 4.107 1.00 0.00 O ATOM 444 CB THR A 32 21.562 -14.264 5.904 1.00 0.00 C ATOM 445 OG1 THR A 32 21.159 -13.771 7.186 1.00 0.00 O ATOM 446 CG2 THR A 32 20.361 -14.307 4.971 1.00 0.00 C ATOM 0 H THR A 32 23.639 -14.691 7.215 1.00 0.00 H new ATOM 0 HA THR A 32 21.491 -16.313 6.576 1.00 0.00 H new ATOM 0 HB THR A 32 22.310 -13.596 5.477 1.00 0.00 H new ATOM 0 HG1 THR A 32 20.762 -12.881 7.084 1.00 0.00 H new ATOM 0 HG21 THR A 32 19.933 -13.308 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 32 20.677 -14.656 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 32 19.611 -14.988 5.374 1.00 0.00 H new ATOM 454 N ARG A 33 23.629 -15.892 4.113 1.00 0.00 N ATOM 455 CA ARG A 33 24.015 -16.369 2.790 1.00 0.00 C ATOM 456 C ARG A 33 23.868 -17.885 2.695 1.00 0.00 C ATOM 457 O ARG A 33 24.317 -18.619 3.574 1.00 0.00 O ATOM 458 CB ARG A 33 25.457 -15.965 2.479 1.00 0.00 C ATOM 459 CG ARG A 33 25.571 -14.667 1.697 1.00 0.00 C ATOM 460 CD ARG A 33 25.412 -14.901 0.203 1.00 0.00 C ATOM 461 NE ARG A 33 26.126 -13.901 -0.586 1.00 0.00 N ATOM 462 CZ ARG A 33 25.979 -13.759 -1.899 1.00 0.00 C ATOM 463 NH1 ARG A 33 25.149 -14.549 -2.566 1.00 0.00 N ATOM 464 NH2 ARG A 33 26.664 -12.826 -2.547 1.00 0.00 N ATOM 0 H ARG A 33 24.318 -15.289 4.561 1.00 0.00 H new ATOM 0 HA ARG A 33 23.351 -15.910 2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 33 26.007 -15.865 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.935 -16.764 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.810 -13.966 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.539 -14.207 1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.782 -15.894 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.354 -14.880 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 33 26.773 -13.278 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.621 -15.268 -2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 33 25.038 -14.438 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.304 -12.217 -2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 33 26.551 -12.718 -3.555 1.00 0.00 H new ATOM 478 N GLY A 34 23.235 -18.347 1.620 1.00 0.00 N ATOM 479 CA GLY A 34 23.039 -19.772 1.430 1.00 0.00 C ATOM 480 C GLY A 34 21.586 -20.181 1.566 1.00 0.00 C ATOM 481 O GLY A 34 21.169 -21.210 1.033 1.00 0.00 O ATOM 0 H GLY A 34 22.855 -17.759 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.402 -20.057 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.637 -20.318 2.160 1.00 0.00 H new ATOM 485 N LYS A 35 20.811 -19.375 2.284 1.00 0.00 N ATOM 486 CA LYS A 35 19.395 -19.658 2.490 1.00 0.00 C ATOM 487 C LYS A 35 18.529 -18.791 1.582 1.00 0.00 C ATOM 488 O LYS A 35 19.036 -17.926 0.868 1.00 0.00 O ATOM 489 CB LYS A 35 19.014 -19.421 3.953 1.00 0.00 C ATOM 490 CG LYS A 35 19.077 -20.674 4.809 1.00 0.00 C ATOM 491 CD LYS A 35 20.493 -20.957 5.282 1.00 0.00 C ATOM 492 CE LYS A 35 20.915 -19.995 6.382 1.00 0.00 C ATOM 493 NZ LYS A 35 20.161 -20.231 7.644 1.00 0.00 N ATOM 0 H LYS A 35 21.140 -18.520 2.733 1.00 0.00 H new ATOM 0 HA LYS A 35 19.219 -20.704 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.680 -18.669 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.004 -19.013 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.421 -20.560 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.707 -21.525 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.558 -21.982 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.182 -20.875 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.983 -20.105 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.754 -18.970 6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.648 -19.759 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.199 -19.846 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.109 -21.253 7.831 1.00 0.00 H new ATOM 507 N GLN A 36 17.222 -19.028 1.615 1.00 0.00 N ATOM 508 CA GLN A 36 16.287 -18.268 0.795 1.00 0.00 C ATOM 509 C GLN A 36 15.293 -17.507 1.666 1.00 0.00 C ATOM 510 O GLN A 36 15.325 -17.605 2.892 1.00 0.00 O ATOM 511 CB GLN A 36 15.538 -19.200 -0.159 1.00 0.00 C ATOM 512 CG GLN A 36 14.614 -20.179 0.547 1.00 0.00 C ATOM 513 CD GLN A 36 15.360 -21.348 1.158 1.00 0.00 C ATOM 514 OE1 GLN A 36 15.705 -21.331 2.340 1.00 0.00 O ATOM 515 NE2 GLN A 36 15.613 -22.374 0.354 1.00 0.00 N ATOM 0 H GLN A 36 16.787 -19.740 2.201 1.00 0.00 H new ATOM 0 HA GLN A 36 16.858 -17.546 0.212 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.953 -18.599 -0.856 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.263 -19.759 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.065 -19.655 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.877 -20.554 -0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.309 -22.346 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.111 -23.190 0.710 1.00 0.00 H new ATOM 524 N SER A 37 14.411 -16.748 1.024 1.00 0.00 N ATOM 525 CA SER A 37 13.410 -15.966 1.740 1.00 0.00 C ATOM 526 C SER A 37 12.133 -15.833 0.916 1.00 0.00 C ATOM 527 O SER A 37 12.181 -15.708 -0.307 1.00 0.00 O ATOM 528 CB SER A 37 13.960 -14.579 2.077 1.00 0.00 C ATOM 529 OG SER A 37 12.939 -13.732 2.575 1.00 0.00 O ATOM 0 H SER A 37 14.369 -16.658 0.009 1.00 0.00 H new ATOM 0 HA SER A 37 13.171 -16.489 2.666 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.755 -14.670 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.404 -14.134 1.186 1.00 0.00 H new ATOM 0 HG SER A 37 12.291 -14.264 3.082 1.00 0.00 H new ATOM 535 N ASN A 38 10.991 -15.860 1.596 1.00 0.00 N ATOM 536 CA ASN A 38 9.700 -15.743 0.928 1.00 0.00 C ATOM 537 C ASN A 38 9.477 -14.321 0.422 1.00 0.00 C ATOM 538 O ASN A 38 9.469 -13.368 1.199 1.00 0.00 O ATOM 539 CB ASN A 38 8.571 -16.140 1.882 1.00 0.00 C ATOM 540 CG ASN A 38 8.414 -17.644 1.998 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.832 -18.392 1.115 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.808 -18.092 3.090 1.00 0.00 N ATOM 0 H ASN A 38 10.934 -15.962 2.609 1.00 0.00 H new ATOM 0 HA ASN A 38 9.698 -16.419 0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.769 -15.721 2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.634 -15.706 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.673 -19.094 3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.478 -17.434 3.796 1.00 0.00 H new ATOM 549 N GLY A 39 9.296 -14.187 -0.889 1.00 0.00 N ATOM 550 CA GLY A 39 9.075 -12.879 -1.477 1.00 0.00 C ATOM 551 C GLY A 39 7.868 -12.175 -0.888 1.00 0.00 C ATOM 552 O GLY A 39 7.253 -12.669 0.058 1.00 0.00 O ATOM 0 H GLY A 39 9.299 -14.961 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.961 -12.262 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.940 -12.986 -2.553 1.00 0.00 H new ATOM 556 N LEU A 40 7.530 -11.019 -1.446 1.00 0.00 N ATOM 557 CA LEU A 40 6.389 -10.244 -0.970 1.00 0.00 C ATOM 558 C LEU A 40 5.235 -10.305 -1.965 1.00 0.00 C ATOM 559 O LEU A 40 5.436 -10.580 -3.148 1.00 0.00 O ATOM 560 CB LEU A 40 6.799 -8.789 -0.735 1.00 0.00 C ATOM 561 CG LEU A 40 5.748 -7.893 -0.077 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.279 -8.498 1.237 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.303 -6.494 0.146 1.00 0.00 C ATOM 0 H LEU A 40 8.029 -10.597 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 40 6.054 -10.678 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.695 -8.781 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.072 -8.350 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 40 4.891 -7.819 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.532 -7.847 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.841 -9.479 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.128 -8.603 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.541 -5.871 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.177 -6.549 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.589 -6.059 -0.812 1.00 0.00 H new ATOM 575 N HIS A 41 4.026 -10.044 -1.478 1.00 0.00 N ATOM 576 CA HIS A 41 2.839 -10.066 -2.325 1.00 0.00 C ATOM 577 C HIS A 41 1.694 -9.294 -1.677 1.00 0.00 C ATOM 578 O HIS A 41 1.020 -9.800 -0.781 1.00 0.00 O ATOM 579 CB HIS A 41 2.408 -11.508 -2.597 1.00 0.00 C ATOM 580 CG HIS A 41 1.944 -11.739 -4.003 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.638 -11.554 -4.404 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.621 -12.140 -5.104 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.531 -11.834 -5.690 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.720 -12.192 -6.139 1.00 0.00 N ATOM 0 H HIS A 41 3.843 -9.815 -0.501 1.00 0.00 H new ATOM 0 HA HIS A 41 3.089 -9.584 -3.270 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.244 -12.175 -2.385 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.605 -11.774 -1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.674 -12.375 -5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.375 -11.779 -6.275 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.934 -12.463 -7.099 1.00 0.00 H new ATOM 592 N GLY A 42 1.481 -8.065 -2.137 1.00 0.00 N ATOM 593 CA GLY A 42 0.417 -7.242 -1.590 1.00 0.00 C ATOM 594 C GLY A 42 0.913 -5.887 -1.125 1.00 0.00 C ATOM 595 O GLY A 42 2.079 -5.545 -1.320 1.00 0.00 O ATOM 0 H GLY A 42 2.026 -7.624 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.356 -7.103 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.047 -7.763 -0.752 1.00 0.00 H new ATOM 599 N ASP A 43 0.025 -5.114 -0.510 1.00 0.00 N ATOM 600 CA ASP A 43 0.379 -3.788 -0.016 1.00 0.00 C ATOM 601 C ASP A 43 0.933 -3.866 1.403 1.00 0.00 C ATOM 602 O ASP A 43 0.234 -4.271 2.332 1.00 0.00 O ATOM 603 CB ASP A 43 -0.841 -2.866 -0.050 1.00 0.00 C ATOM 604 CG ASP A 43 -2.025 -3.444 0.700 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.589 -4.455 0.232 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.387 -2.885 1.757 1.00 0.00 O ATOM 0 H ASP A 43 -0.945 -5.382 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 43 1.152 -3.380 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.576 -1.902 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.125 -2.683 -1.086 1.00 0.00 H new ATOM 611 N TYR A 44 2.194 -3.477 1.562 1.00 0.00 N ATOM 612 CA TYR A 44 2.843 -3.506 2.867 1.00 0.00 C ATOM 613 C TYR A 44 3.920 -2.429 2.964 1.00 0.00 C ATOM 614 O TYR A 44 4.775 -2.310 2.086 1.00 0.00 O ATOM 615 CB TYR A 44 3.459 -4.883 3.122 1.00 0.00 C ATOM 616 CG TYR A 44 2.450 -6.009 3.110 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.632 -6.247 4.207 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.315 -6.835 2.000 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.709 -7.276 4.200 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.395 -7.865 1.984 1.00 0.00 C ATOM 621 CZ TYR A 44 0.594 -8.081 3.086 1.00 0.00 C ATOM 622 OH TYR A 44 -0.324 -9.106 3.075 1.00 0.00 O ATOM 0 H TYR A 44 2.786 -3.138 0.804 1.00 0.00 H new ATOM 0 HA TYR A 44 2.086 -3.307 3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.218 -5.078 2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.967 -4.872 4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.719 -5.617 5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.940 -6.668 1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.082 -7.449 5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.303 -8.498 1.114 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.279 -9.576 2.216 1.00 0.00 H new ATOM 632 N ASP A 45 3.870 -1.648 4.037 1.00 0.00 N ATOM 633 CA ASP A 45 4.841 -0.581 4.251 1.00 0.00 C ATOM 634 C ASP A 45 6.257 -1.144 4.333 1.00 0.00 C ATOM 635 O ASP A 45 6.475 -2.338 4.126 1.00 0.00 O ATOM 636 CB ASP A 45 4.511 0.189 5.531 1.00 0.00 C ATOM 637 CG ASP A 45 3.042 0.552 5.624 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.656 1.608 5.080 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.278 -0.219 6.241 1.00 0.00 O ATOM 0 H ASP A 45 3.168 -1.733 4.772 1.00 0.00 H new ATOM 0 HA ASP A 45 4.788 0.101 3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.789 -0.413 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.110 1.099 5.570 1.00 0.00 H new ATOM 644 N VAL A 46 7.217 -0.275 4.635 1.00 0.00 N ATOM 645 CA VAL A 46 8.612 -0.685 4.744 1.00 0.00 C ATOM 646 C VAL A 46 8.794 -1.729 5.839 1.00 0.00 C ATOM 647 O VAL A 46 9.458 -2.746 5.637 1.00 0.00 O ATOM 648 CB VAL A 46 9.529 0.518 5.039 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.029 1.285 6.254 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.964 0.056 5.242 1.00 0.00 C ATOM 0 H VAL A 46 7.054 0.717 4.808 1.00 0.00 H new ATOM 0 HA VAL A 46 8.891 -1.118 3.783 1.00 0.00 H new ATOM 0 HB VAL A 46 9.506 1.190 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.689 2.131 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.019 1.649 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.020 0.626 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.598 0.918 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.008 -0.637 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.316 -0.445 4.340 1.00 0.00 H new ATOM 660 N GLU A 47 8.200 -1.472 7.000 1.00 0.00 N ATOM 661 CA GLU A 47 8.297 -2.390 8.128 1.00 0.00 C ATOM 662 C GLU A 47 7.442 -3.632 7.894 1.00 0.00 C ATOM 663 O GLU A 47 7.927 -4.760 7.987 1.00 0.00 O ATOM 664 CB GLU A 47 7.863 -1.695 9.420 1.00 0.00 C ATOM 665 CG GLU A 47 8.806 -0.589 9.862 1.00 0.00 C ATOM 666 CD GLU A 47 8.165 0.361 10.855 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.427 -0.115 11.743 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.402 1.583 10.744 1.00 0.00 O ATOM 0 H GLU A 47 7.646 -0.635 7.184 1.00 0.00 H new ATOM 0 HA GLU A 47 9.338 -2.699 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.866 -1.277 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.789 -2.437 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.695 -1.032 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.136 -0.027 8.988 1.00 0.00 H new ATOM 675 N SER A 48 6.166 -3.416 7.589 1.00 0.00 N ATOM 676 CA SER A 48 5.242 -4.517 7.345 1.00 0.00 C ATOM 677 C SER A 48 5.769 -5.437 6.248 1.00 0.00 C ATOM 678 O SER A 48 5.832 -6.653 6.419 1.00 0.00 O ATOM 679 CB SER A 48 3.864 -3.977 6.955 1.00 0.00 C ATOM 680 OG SER A 48 2.830 -4.751 7.535 1.00 0.00 O ATOM 0 H SER A 48 5.749 -2.489 7.505 1.00 0.00 H new ATOM 0 HA SER A 48 5.152 -5.093 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.771 -2.940 7.279 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.762 -3.983 5.870 1.00 0.00 H new ATOM 0 HG SER A 48 1.960 -4.384 7.272 1.00 0.00 H new ATOM 686 N GLY A 49 6.148 -4.845 5.119 1.00 0.00 N ATOM 687 CA GLY A 49 6.665 -5.624 4.010 1.00 0.00 C ATOM 688 C GLY A 49 7.962 -6.331 4.352 1.00 0.00 C ATOM 689 O GLY A 49 8.138 -7.509 4.039 1.00 0.00 O ATOM 0 H GLY A 49 6.106 -3.839 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.921 -6.362 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.827 -4.969 3.154 1.00 0.00 H new ATOM 693 N LEU A 50 8.874 -5.610 4.996 1.00 0.00 N ATOM 694 CA LEU A 50 10.163 -6.174 5.380 1.00 0.00 C ATOM 695 C LEU A 50 9.979 -7.478 6.150 1.00 0.00 C ATOM 696 O LEU A 50 10.549 -8.508 5.789 1.00 0.00 O ATOM 697 CB LEU A 50 10.947 -5.173 6.230 1.00 0.00 C ATOM 698 CG LEU A 50 11.931 -5.772 7.236 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.923 -6.686 6.533 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.660 -4.670 7.990 1.00 0.00 C ATOM 0 H LEU A 50 8.744 -4.634 5.263 1.00 0.00 H new ATOM 0 HA LEU A 50 10.724 -6.387 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.499 -4.513 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.235 -4.553 6.774 1.00 0.00 H new ATOM 0 HG LEU A 50 11.368 -6.366 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.615 -7.103 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.385 -7.496 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.480 -6.115 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.356 -5.115 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.211 -4.049 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.936 -4.056 8.526 1.00 0.00 H new ATOM 712 N GLN A 51 9.179 -7.426 7.209 1.00 0.00 N ATOM 713 CA GLN A 51 8.919 -8.604 8.029 1.00 0.00 C ATOM 714 C GLN A 51 8.198 -9.679 7.222 1.00 0.00 C ATOM 715 O GLN A 51 8.293 -10.867 7.532 1.00 0.00 O ATOM 716 CB GLN A 51 8.087 -8.225 9.255 1.00 0.00 C ATOM 717 CG GLN A 51 8.704 -7.115 10.090 1.00 0.00 C ATOM 718 CD GLN A 51 9.353 -7.633 11.359 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.805 -7.489 12.453 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.526 -8.239 11.221 1.00 0.00 N ATOM 0 H GLN A 51 8.699 -6.581 7.520 1.00 0.00 H new ATOM 0 HA GLN A 51 9.877 -9.005 8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.095 -7.914 8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.954 -9.108 9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.449 -6.588 9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.933 -6.390 10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.944 -8.337 10.296 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.009 -8.607 12.040 1.00 0.00 H new ATOM 729 N GLN A 52 7.479 -9.254 6.189 1.00 0.00 N ATOM 730 CA GLN A 52 6.741 -10.182 5.339 1.00 0.00 C ATOM 731 C GLN A 52 7.689 -10.968 4.440 1.00 0.00 C ATOM 732 O GLN A 52 7.393 -12.095 4.042 1.00 0.00 O ATOM 733 CB GLN A 52 5.721 -9.425 4.488 1.00 0.00 C ATOM 734 CG GLN A 52 4.277 -9.734 4.850 1.00 0.00 C ATOM 735 CD GLN A 52 3.995 -11.223 4.905 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.676 -11.767 5.963 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.111 -11.890 3.764 1.00 0.00 N ATOM 0 H GLN A 52 7.391 -8.274 5.920 1.00 0.00 H new ATOM 0 HA GLN A 52 6.214 -10.886 5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.893 -8.354 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.884 -9.669 3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.046 -9.288 5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.616 -9.270 4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.378 -11.399 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.933 -12.894 3.740 1.00 0.00 H new ATOM 746 N LEU A 53 8.830 -10.366 4.122 1.00 0.00 N ATOM 747 CA LEU A 53 9.823 -11.009 3.268 1.00 0.00 C ATOM 748 C LEU A 53 10.557 -12.112 4.023 1.00 0.00 C ATOM 749 O LEU A 53 10.612 -13.257 3.573 1.00 0.00 O ATOM 750 CB LEU A 53 10.825 -9.976 2.750 1.00 0.00 C ATOM 751 CG LEU A 53 10.524 -9.382 1.373 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.898 -10.429 0.465 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.612 -8.171 1.502 1.00 0.00 C ATOM 0 H LEU A 53 9.091 -9.433 4.443 1.00 0.00 H new ATOM 0 HA LEU A 53 9.303 -11.457 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.882 -9.161 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.811 -10.440 2.716 1.00 0.00 H new ATOM 0 HG LEU A 53 11.464 -9.058 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.691 -9.988 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.586 -11.266 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.967 -10.785 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.409 -7.762 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.674 -8.470 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.099 -7.413 2.115 1.00 0.00 H new ATOM 765 N LEU A 54 11.119 -11.761 5.174 1.00 0.00 N ATOM 766 CA LEU A 54 11.849 -12.722 5.994 1.00 0.00 C ATOM 767 C LEU A 54 10.891 -13.559 6.835 1.00 0.00 C ATOM 768 O LEU A 54 11.311 -14.459 7.562 1.00 0.00 O ATOM 769 CB LEU A 54 12.842 -11.996 6.904 1.00 0.00 C ATOM 770 CG LEU A 54 12.410 -11.814 8.359 1.00 0.00 C ATOM 771 CD1 LEU A 54 13.388 -10.913 9.097 1.00 0.00 C ATOM 772 CD2 LEU A 54 11.001 -11.244 8.430 1.00 0.00 C ATOM 0 H LEU A 54 11.083 -10.818 5.561 1.00 0.00 H new ATOM 0 HA LEU A 54 12.396 -13.389 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.784 -12.545 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.041 -11.012 6.479 1.00 0.00 H new ATOM 0 HG LEU A 54 12.410 -12.791 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.064 -10.795 10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.382 -11.361 9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.420 -9.937 8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.710 -11.121 9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.974 -10.276 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.307 -11.926 7.938 1.00 0.00 H new ATOM 784 N ASP A 55 9.601 -13.258 6.729 1.00 0.00 N ATOM 785 CA ASP A 55 8.582 -13.985 7.477 1.00 0.00 C ATOM 786 C ASP A 55 8.813 -15.491 7.387 1.00 0.00 C ATOM 787 O ASP A 55 9.059 -16.028 6.308 1.00 0.00 O ATOM 788 CB ASP A 55 7.188 -13.638 6.951 1.00 0.00 C ATOM 789 CG ASP A 55 6.729 -14.585 5.859 1.00 0.00 C ATOM 790 OD1 ASP A 55 7.416 -14.669 4.819 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.684 -15.241 6.045 1.00 0.00 O ATOM 0 H ASP A 55 9.236 -12.515 6.132 1.00 0.00 H new ATOM 0 HA ASP A 55 8.652 -13.686 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.475 -13.665 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.192 -12.618 6.566 1.00 0.00 H new ATOM 796 N GLY A 56 8.732 -16.166 8.530 1.00 0.00 N ATOM 797 CA GLY A 56 8.936 -17.602 8.559 1.00 0.00 C ATOM 798 C GLY A 56 10.019 -18.015 9.535 1.00 0.00 C ATOM 799 O GLY A 56 10.151 -19.193 9.866 1.00 0.00 O ATOM 0 H GLY A 56 8.529 -15.744 9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.001 -18.093 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.201 -17.948 7.560 1.00 0.00 H new ATOM 803 N SER A 57 10.799 -17.042 9.998 1.00 0.00 N ATOM 804 CA SER A 57 11.880 -17.311 10.938 1.00 0.00 C ATOM 805 C SER A 57 11.555 -16.744 12.316 1.00 0.00 C ATOM 806 O SER A 57 11.442 -17.483 13.293 1.00 0.00 O ATOM 807 CB SER A 57 13.192 -16.714 10.424 1.00 0.00 C ATOM 808 OG SER A 57 12.965 -15.485 9.756 1.00 0.00 O ATOM 0 H SER A 57 10.702 -16.061 9.737 1.00 0.00 H new ATOM 0 HA SER A 57 11.991 -18.392 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.876 -16.557 11.258 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.674 -17.417 9.745 1.00 0.00 H new ATOM 0 HG SER A 57 13.818 -15.123 9.438 1.00 0.00 H new ATOM 814 N GLY A 58 11.407 -15.424 12.386 1.00 0.00 N ATOM 815 CA GLY A 58 11.097 -14.778 13.648 1.00 0.00 C ATOM 816 C GLY A 58 12.294 -14.065 14.245 1.00 0.00 C ATOM 817 O GLY A 58 13.064 -14.657 15.002 1.00 0.00 O ATOM 0 H GLY A 58 11.496 -14.791 11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.290 -14.061 13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.733 -15.524 14.354 1.00 0.00 H new ATOM 821 N LEU A 59 12.453 -12.792 13.902 1.00 0.00 N ATOM 822 CA LEU A 59 13.567 -11.997 14.407 1.00 0.00 C ATOM 823 C LEU A 59 13.116 -10.578 14.741 1.00 0.00 C ATOM 824 O LEU A 59 11.981 -10.195 14.458 1.00 0.00 O ATOM 825 CB LEU A 59 14.698 -11.956 13.378 1.00 0.00 C ATOM 826 CG LEU A 59 15.584 -13.199 13.305 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.222 -14.043 12.093 1.00 0.00 C ATOM 828 CD2 LEU A 59 17.054 -12.805 13.263 1.00 0.00 C ATOM 0 H LEU A 59 11.825 -12.288 13.276 1.00 0.00 H new ATOM 0 HA LEU A 59 13.932 -12.467 15.320 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.261 -11.788 12.394 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.331 -11.096 13.597 1.00 0.00 H new ATOM 0 HG LEU A 59 15.414 -13.796 14.201 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.864 -14.924 12.058 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.180 -14.356 12.165 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.362 -13.456 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.670 -13.703 13.211 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.240 -12.186 12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.306 -12.244 14.163 1.00 0.00 H new ATOM 840 N GLN A 60 14.013 -9.804 15.342 1.00 0.00 N ATOM 841 CA GLN A 60 13.707 -8.427 15.713 1.00 0.00 C ATOM 842 C GLN A 60 14.458 -7.444 14.820 1.00 0.00 C ATOM 843 O GLN A 60 15.587 -7.703 14.405 1.00 0.00 O ATOM 844 CB GLN A 60 14.066 -8.179 17.179 1.00 0.00 C ATOM 845 CG GLN A 60 15.554 -7.975 17.415 1.00 0.00 C ATOM 846 CD GLN A 60 16.061 -8.729 18.628 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.088 -8.197 19.738 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.467 -9.977 18.423 1.00 0.00 N ATOM 0 H GLN A 60 14.957 -10.106 15.583 1.00 0.00 H new ATOM 0 HA GLN A 60 12.637 -8.270 15.577 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.527 -7.300 17.533 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.724 -9.025 17.776 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.106 -8.300 16.533 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.755 -6.911 17.543 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.427 -10.379 17.486 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.818 -10.534 19.202 1.00 0.00 H new ATOM 857 N VAL A 61 13.822 -6.313 14.529 1.00 0.00 N ATOM 858 CA VAL A 61 14.430 -5.290 13.686 1.00 0.00 C ATOM 859 C VAL A 61 14.355 -3.918 14.347 1.00 0.00 C ATOM 860 O VAL A 61 13.272 -3.435 14.680 1.00 0.00 O ATOM 861 CB VAL A 61 13.748 -5.221 12.307 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.631 -4.485 11.310 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.416 -6.619 11.806 1.00 0.00 C ATOM 0 H VAL A 61 12.887 -6.082 14.864 1.00 0.00 H new ATOM 0 HA VAL A 61 15.475 -5.570 13.553 1.00 0.00 H new ATOM 0 HB VAL A 61 12.816 -4.665 12.410 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.132 -4.446 10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.813 -3.471 11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.581 -5.010 11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.935 -6.551 10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.333 -7.201 11.718 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.742 -7.107 12.510 1.00 0.00 H new ATOM 873 N LYS A 62 15.512 -3.294 14.534 1.00 0.00 N ATOM 874 CA LYS A 62 15.580 -1.975 15.153 1.00 0.00 C ATOM 875 C LYS A 62 16.525 -1.059 14.382 1.00 0.00 C ATOM 876 O LYS A 62 17.568 -1.482 13.882 1.00 0.00 O ATOM 877 CB LYS A 62 16.042 -2.096 16.607 1.00 0.00 C ATOM 878 CG LYS A 62 17.205 -3.054 16.798 1.00 0.00 C ATOM 879 CD LYS A 62 16.734 -4.411 17.293 1.00 0.00 C ATOM 880 CE LYS A 62 16.700 -4.470 18.812 1.00 0.00 C ATOM 881 NZ LYS A 62 15.368 -4.080 19.353 1.00 0.00 N ATOM 0 H LYS A 62 16.417 -3.680 14.266 1.00 0.00 H new ATOM 0 HA LYS A 62 14.582 -1.538 15.130 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.331 -1.110 16.971 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.204 -2.429 17.219 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.737 -3.175 15.854 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.913 -2.631 17.511 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.740 -4.618 16.898 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.397 -5.188 16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.944 -5.480 19.142 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.465 -3.808 19.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.293 -4.385 20.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.261 -3.047 19.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.619 -4.535 18.793 1.00 0.00 H new ATOM 895 N PRO A 63 16.155 0.226 14.283 1.00 0.00 N ATOM 896 CA PRO A 63 16.957 1.228 13.576 1.00 0.00 C ATOM 897 C PRO A 63 18.253 1.556 14.309 1.00 0.00 C ATOM 898 O PRO A 63 18.388 1.287 15.504 1.00 0.00 O ATOM 899 CB PRO A 63 16.040 2.454 13.537 1.00 0.00 C ATOM 900 CG PRO A 63 15.129 2.282 14.703 1.00 0.00 C ATOM 901 CD PRO A 63 14.925 0.800 14.854 1.00 0.00 C ATOM 0 HA PRO A 63 17.268 0.880 12.591 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.612 3.379 13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.482 2.501 12.602 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.565 2.710 15.606 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.180 2.791 14.535 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.797 0.516 15.899 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.038 0.460 14.320 1.00 0.00 H new ATOM 909 N LEU A 64 19.205 2.139 13.588 1.00 0.00 N ATOM 910 CA LEU A 64 20.491 2.505 14.171 1.00 0.00 C ATOM 911 C LEU A 64 20.785 3.986 13.956 1.00 0.00 C ATOM 912 O LEU A 64 20.908 4.750 14.912 1.00 0.00 O ATOM 913 CB LEU A 64 21.609 1.657 13.562 1.00 0.00 C ATOM 914 CG LEU A 64 21.238 0.218 13.199 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.370 -0.447 12.431 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.902 -0.578 14.452 1.00 0.00 C ATOM 0 H LEU A 64 19.110 2.368 12.599 1.00 0.00 H new ATOM 0 HA LEU A 64 20.443 2.316 15.243 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.968 2.157 12.662 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.442 1.630 14.265 1.00 0.00 H new ATOM 0 HG LEU A 64 20.356 0.240 12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.088 -1.470 12.181 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.564 0.110 11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.270 -0.458 13.046 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.640 -1.599 14.175 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.766 -0.592 15.117 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.059 -0.113 14.963 1.00 0.00 H new ATOM 928 N GLY A 65 20.896 4.384 12.692 1.00 0.00 N ATOM 929 CA GLY A 65 21.172 5.773 12.373 1.00 0.00 C ATOM 930 C GLY A 65 20.284 6.302 11.264 1.00 0.00 C ATOM 931 O GLY A 65 19.074 6.434 11.440 1.00 0.00 O ATOM 0 H GLY A 65 20.800 3.770 11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.034 6.382 13.266 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.216 5.874 12.077 1.00 0.00 H new ATOM 935 N ASN A 66 20.887 6.606 10.120 1.00 0.00 N ATOM 936 CA ASN A 66 20.143 7.125 8.978 1.00 0.00 C ATOM 937 C ASN A 66 19.218 6.058 8.401 1.00 0.00 C ATOM 938 O ASN A 66 19.586 5.338 7.474 1.00 0.00 O ATOM 939 CB ASN A 66 21.106 7.620 7.897 1.00 0.00 C ATOM 940 CG ASN A 66 20.382 8.228 6.712 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.707 7.943 5.559 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.394 9.070 6.991 1.00 0.00 N ATOM 0 H ASN A 66 21.889 6.502 9.959 1.00 0.00 H new ATOM 0 HA ASN A 66 19.534 7.961 9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.780 8.361 8.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 21.722 6.789 7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.870 9.510 6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.159 9.277 7.962 1.00 0.00 H new ATOM 949 N ASN A 67 18.014 5.963 8.956 1.00 0.00 N ATOM 950 CA ASN A 67 17.035 4.985 8.496 1.00 0.00 C ATOM 951 C ASN A 67 17.688 3.623 8.279 1.00 0.00 C ATOM 952 O ASN A 67 17.279 2.859 7.406 1.00 0.00 O ATOM 953 CB ASN A 67 16.378 5.460 7.199 1.00 0.00 C ATOM 954 CG ASN A 67 14.944 4.984 7.069 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.595 3.897 7.530 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.105 5.799 6.439 1.00 0.00 N ATOM 0 H ASN A 67 17.693 6.551 9.725 1.00 0.00 H new ATOM 0 HA ASN A 67 16.270 4.884 9.266 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.401 6.549 7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.956 5.099 6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.127 5.533 6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.438 6.691 6.073 1.00 0.00 H new ATOM 963 N SER A 68 18.706 3.326 9.081 1.00 0.00 N ATOM 964 CA SER A 68 19.418 2.058 8.976 1.00 0.00 C ATOM 965 C SER A 68 18.868 1.042 9.972 1.00 0.00 C ATOM 966 O SER A 68 18.980 1.222 11.184 1.00 0.00 O ATOM 967 CB SER A 68 20.914 2.268 9.216 1.00 0.00 C ATOM 968 OG SER A 68 21.157 3.499 9.873 1.00 0.00 O ATOM 0 H SER A 68 19.056 3.947 9.811 1.00 0.00 H new ATOM 0 HA SER A 68 19.271 1.669 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.308 1.448 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.444 2.249 8.264 1.00 0.00 H new ATOM 0 HG SER A 68 22.120 3.609 10.016 1.00 0.00 H new ATOM 974 N TRP A 69 18.275 -0.026 9.451 1.00 0.00 N ATOM 975 CA TRP A 69 17.707 -1.072 10.294 1.00 0.00 C ATOM 976 C TRP A 69 18.576 -2.325 10.266 1.00 0.00 C ATOM 977 O TRP A 69 19.240 -2.611 9.269 1.00 0.00 O ATOM 978 CB TRP A 69 16.288 -1.411 9.836 1.00 0.00 C ATOM 979 CG TRP A 69 15.342 -0.251 9.925 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.450 0.946 9.277 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.147 -0.178 10.709 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.394 1.759 9.611 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.580 1.092 10.487 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.499 -1.063 11.576 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.398 1.497 11.102 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.326 -0.660 12.185 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.785 0.610 11.945 1.00 0.00 C ATOM 0 H TRP A 69 18.175 -0.191 8.449 1.00 0.00 H new ATOM 0 HA TRP A 69 17.671 -0.699 11.318 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.321 -1.765 8.806 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.904 -2.231 10.443 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.248 1.214 8.601 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.241 2.706 9.263 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.908 -2.044 11.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.980 2.476 10.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.818 -1.335 12.857 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.866 0.895 12.435 1.00 0.00 H new ATOM 998 N THR A 70 18.568 -3.070 11.367 1.00 0.00 N ATOM 999 CA THR A 70 19.356 -4.292 11.468 1.00 0.00 C ATOM 1000 C THR A 70 18.535 -5.428 12.068 1.00 0.00 C ATOM 1001 O THR A 70 17.601 -5.194 12.837 1.00 0.00 O ATOM 1002 CB THR A 70 20.617 -4.077 12.326 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.487 -5.209 12.210 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.249 -3.862 13.786 1.00 0.00 C ATOM 0 H THR A 70 18.024 -2.848 12.201 1.00 0.00 H new ATOM 0 HA THR A 70 19.655 -4.560 10.455 1.00 0.00 H new ATOM 0 HB THR A 70 21.129 -3.186 11.962 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.536 -5.489 11.272 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.156 -3.712 14.372 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.611 -2.983 13.875 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.716 -4.736 14.159 1.00 0.00 H new ATOM 1012 N LEU A 71 18.888 -6.658 11.714 1.00 0.00 N ATOM 1013 CA LEU A 71 18.184 -7.832 12.218 1.00 0.00 C ATOM 1014 C LEU A 71 18.974 -8.502 13.337 1.00 0.00 C ATOM 1015 O LEU A 71 20.204 -8.536 13.307 1.00 0.00 O ATOM 1016 CB LEU A 71 17.937 -8.829 11.085 1.00 0.00 C ATOM 1017 CG LEU A 71 16.539 -8.808 10.465 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.500 -9.272 11.474 1.00 0.00 C ATOM 1019 CD2 LEU A 71 16.204 -7.414 9.954 1.00 0.00 C ATOM 0 H LEU A 71 19.658 -6.869 11.079 1.00 0.00 H new ATOM 0 HA LEU A 71 17.225 -7.505 12.621 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.665 -8.640 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.130 -9.833 11.463 1.00 0.00 H new ATOM 0 HG LEU A 71 16.527 -9.496 9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.512 -9.250 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.730 -10.289 11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.512 -8.610 12.340 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.206 -7.417 9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.235 -6.706 10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.931 -7.119 9.197 1.00 0.00 H new ATOM 1031 N GLU A 72 18.259 -9.036 14.323 1.00 0.00 N ATOM 1032 CA GLU A 72 18.895 -9.707 15.451 1.00 0.00 C ATOM 1033 C GLU A 72 18.111 -10.952 15.855 1.00 0.00 C ATOM 1034 O GLU A 72 16.918 -11.082 15.582 1.00 0.00 O ATOM 1035 CB GLU A 72 19.008 -8.753 16.642 1.00 0.00 C ATOM 1036 CG GLU A 72 20.397 -8.164 16.820 1.00 0.00 C ATOM 1037 CD GLU A 72 20.536 -6.795 16.183 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.185 -5.795 16.843 1.00 0.00 O ATOM 1039 OE2 GLU A 72 20.997 -6.724 15.025 1.00 0.00 O ATOM 0 H GLU A 72 17.240 -9.017 14.363 1.00 0.00 H new ATOM 0 HA GLU A 72 19.895 -10.012 15.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.292 -7.941 16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.729 -9.286 17.551 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.623 -8.090 17.884 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.133 -8.840 16.384 1.00 0.00 H new ATOM 1046 N PRO A 73 18.798 -11.892 16.521 1.00 0.00 N ATOM 1047 CA PRO A 73 18.188 -13.144 16.977 1.00 0.00 C ATOM 1048 C PRO A 73 17.195 -12.925 18.114 1.00 0.00 C ATOM 1049 O PRO A 73 17.545 -12.379 19.160 1.00 0.00 O ATOM 1050 CB PRO A 73 19.384 -13.966 17.464 1.00 0.00 C ATOM 1051 CG PRO A 73 20.414 -12.954 17.832 1.00 0.00 C ATOM 1052 CD PRO A 73 20.223 -11.805 16.881 1.00 0.00 C ATOM 0 HA PRO A 73 17.614 -13.628 16.187 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.116 -14.587 18.319 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.748 -14.636 16.685 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.291 -12.630 18.865 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.418 -13.370 17.746 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.461 -10.851 17.351 1.00 0.00 H new ATOM 0 HD3 PRO A 73 20.865 -11.898 16.005 1.00 0.00 H new ATOM 1060 N ALA A 74 15.955 -13.354 17.902 1.00 0.00 N ATOM 1061 CA ALA A 74 14.912 -13.206 18.909 1.00 0.00 C ATOM 1062 C ALA A 74 14.426 -14.566 19.399 1.00 0.00 C ATOM 1063 O ALA A 74 14.611 -15.592 18.744 1.00 0.00 O ATOM 1064 CB ALA A 74 13.751 -12.397 18.352 1.00 0.00 C ATOM 0 H ALA A 74 15.648 -13.807 17.041 1.00 0.00 H new ATOM 0 HA ALA A 74 15.336 -12.673 19.760 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.980 -12.295 19.115 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.104 -11.409 18.058 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.336 -12.907 17.483 1.00 0.00 H new ATOM 1070 N PRO A 75 13.788 -14.577 20.579 1.00 0.00 N ATOM 1071 CA PRO A 75 13.261 -15.805 21.182 1.00 0.00 C ATOM 1072 C PRO A 75 12.064 -16.359 20.418 1.00 0.00 C ATOM 1073 O PRO A 75 11.488 -15.679 19.569 1.00 0.00 O ATOM 1074 CB PRO A 75 12.841 -15.359 22.585 1.00 0.00 C ATOM 1075 CG PRO A 75 12.569 -13.900 22.453 1.00 0.00 C ATOM 1076 CD PRO A 75 13.531 -13.392 21.414 1.00 0.00 C ATOM 0 HA PRO A 75 13.997 -16.609 21.178 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.956 -15.898 22.923 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.629 -15.551 23.314 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.537 -13.721 22.150 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.715 -13.388 23.404 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.101 -12.576 20.833 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.447 -13.013 21.866 1.00 0.00 H new ATOM 1084 N ALA A 76 11.693 -17.598 20.726 1.00 0.00 N ATOM 1085 CA ALA A 76 10.562 -18.242 20.070 1.00 0.00 C ATOM 1086 C ALA A 76 9.240 -17.770 20.665 1.00 0.00 C ATOM 1087 O ALA A 76 9.185 -17.243 21.777 1.00 0.00 O ATOM 1088 CB ALA A 76 10.681 -19.755 20.178 1.00 0.00 C ATOM 0 H ALA A 76 12.159 -18.175 21.426 1.00 0.00 H new ATOM 0 HA ALA A 76 10.577 -17.961 19.017 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.830 -20.223 19.684 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.604 -20.083 19.699 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.695 -20.045 21.229 1.00 0.00 H new ATOM 1094 N PRO A 77 8.148 -17.960 19.910 1.00 0.00 N ATOM 1095 CA PRO A 77 6.806 -17.559 20.343 1.00 0.00 C ATOM 1096 C PRO A 77 6.284 -18.422 21.486 1.00 0.00 C ATOM 1097 O PRO A 77 6.853 -19.469 21.798 1.00 0.00 O ATOM 1098 CB PRO A 77 5.953 -17.762 19.088 1.00 0.00 C ATOM 1099 CG PRO A 77 6.677 -18.800 18.301 1.00 0.00 C ATOM 1100 CD PRO A 77 8.140 -18.581 18.574 1.00 0.00 C ATOM 0 HA PRO A 77 6.789 -16.539 20.726 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.945 -18.090 19.343 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.853 -16.835 18.523 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.370 -19.802 18.601 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.460 -18.705 17.237 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.696 -19.519 18.563 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.596 -17.932 17.826 1.00 0.00 H new ATOM 1108 N LYS A 78 5.199 -17.977 22.110 1.00 0.00 N ATOM 1109 CA LYS A 78 4.598 -18.709 23.219 1.00 0.00 C ATOM 1110 C LYS A 78 4.285 -20.147 22.816 1.00 0.00 C ATOM 1111 O LYS A 78 4.912 -21.087 23.302 1.00 0.00 O ATOM 1112 CB LYS A 78 3.320 -18.009 23.686 1.00 0.00 C ATOM 1113 CG LYS A 78 2.876 -18.419 25.079 1.00 0.00 C ATOM 1114 CD LYS A 78 2.200 -17.271 25.809 1.00 0.00 C ATOM 1115 CE LYS A 78 0.686 -17.416 25.793 1.00 0.00 C ATOM 1116 NZ LYS A 78 0.007 -16.209 26.342 1.00 0.00 N ATOM 0 H LYS A 78 4.717 -17.112 21.866 1.00 0.00 H new ATOM 0 HA LYS A 78 5.315 -18.728 24.040 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.479 -16.931 23.667 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.518 -18.226 22.980 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.189 -19.262 25.009 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.739 -18.758 25.652 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.552 -17.236 26.840 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.481 -16.326 25.344 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.349 -17.589 24.771 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.399 -18.291 26.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.023 -16.347 26.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.309 -16.058 27.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.260 -15.378 25.770 1.00 0.00 H new ATOM 1130 N GLU A 79 3.313 -20.308 21.923 1.00 0.00 N ATOM 1131 CA GLU A 79 2.919 -21.632 21.455 1.00 0.00 C ATOM 1132 C GLU A 79 2.742 -21.643 19.940 1.00 0.00 C ATOM 1133 O GLU A 79 1.709 -22.075 19.428 1.00 0.00 O ATOM 1134 CB GLU A 79 1.620 -22.071 22.135 1.00 0.00 C ATOM 1135 CG GLU A 79 1.740 -22.213 23.643 1.00 0.00 C ATOM 1136 CD GLU A 79 0.644 -23.076 24.237 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -0.485 -23.052 23.701 1.00 0.00 O ATOM 1138 OE2 GLU A 79 0.913 -23.774 25.236 1.00 0.00 O ATOM 0 H GLU A 79 2.785 -19.539 21.510 1.00 0.00 H new ATOM 0 HA GLU A 79 3.712 -22.333 21.715 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.838 -21.346 21.908 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.303 -23.025 21.713 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.710 -22.645 23.887 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.707 -21.224 24.101 1.00 0.00 H new ATOM 1145 N ASP A 80 3.756 -21.163 19.228 1.00 0.00 N ATOM 1146 CA ASP A 80 3.714 -21.118 17.771 1.00 0.00 C ATOM 1147 C ASP A 80 2.515 -20.308 17.287 1.00 0.00 C ATOM 1148 O ASP A 80 1.864 -20.670 16.307 1.00 0.00 O ATOM 1149 CB ASP A 80 3.654 -22.534 17.197 1.00 0.00 C ATOM 1150 CG ASP A 80 4.987 -23.251 17.285 1.00 0.00 C ATOM 1151 OD1 ASP A 80 5.811 -22.870 18.143 1.00 0.00 O ATOM 1152 OD2 ASP A 80 5.206 -24.194 16.497 1.00 0.00 O ATOM 0 H ASP A 80 4.617 -20.800 19.636 1.00 0.00 H new ATOM 0 HA ASP A 80 4.624 -20.631 17.421 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.899 -23.109 17.734 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.338 -22.487 16.155 1.00 0.00 H new ATOM 1157 N ALA A 81 2.228 -19.212 17.982 1.00 0.00 N ATOM 1158 CA ALA A 81 1.108 -18.351 17.623 1.00 0.00 C ATOM 1159 C ALA A 81 1.588 -17.105 16.886 1.00 0.00 C ATOM 1160 O ALA A 81 0.904 -16.594 15.998 1.00 0.00 O ATOM 1161 CB ALA A 81 0.322 -17.962 18.866 1.00 0.00 C ATOM 0 H ALA A 81 2.756 -18.900 18.797 1.00 0.00 H new ATOM 0 HA ALA A 81 0.453 -18.908 16.953 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.511 -17.319 18.583 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.061 -18.860 19.350 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.974 -17.428 19.557 1.00 0.00 H new ATOM 1167 N LEU A 82 2.766 -16.620 17.260 1.00 0.00 N ATOM 1168 CA LEU A 82 3.338 -15.432 16.635 1.00 0.00 C ATOM 1169 C LEU A 82 2.373 -14.253 16.722 1.00 0.00 C ATOM 1170 O LEU A 82 1.876 -13.767 15.706 1.00 0.00 O ATOM 1171 CB LEU A 82 3.682 -15.717 15.172 1.00 0.00 C ATOM 1172 CG LEU A 82 4.744 -16.790 14.929 1.00 0.00 C ATOM 1173 CD1 LEU A 82 4.490 -17.503 13.610 1.00 0.00 C ATOM 1174 CD2 LEU A 82 6.136 -16.176 14.947 1.00 0.00 C ATOM 0 H LEU A 82 3.344 -17.031 17.993 1.00 0.00 H new ATOM 0 HA LEU A 82 4.250 -15.172 17.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.769 -16.014 14.656 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.020 -14.789 14.712 1.00 0.00 H new ATOM 0 HG LEU A 82 4.682 -17.524 15.732 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.256 -18.263 13.454 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.509 -17.976 13.635 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.524 -16.781 12.794 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.879 -16.954 14.772 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.211 -15.421 14.165 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.317 -15.713 15.917 1.00 0.00 H new ATOM 1186 N THR A 83 2.113 -13.797 17.943 1.00 0.00 N ATOM 1187 CA THR A 83 1.209 -12.675 18.164 1.00 0.00 C ATOM 1188 C THR A 83 1.851 -11.360 17.737 1.00 0.00 C ATOM 1189 O THR A 83 3.062 -11.287 17.531 1.00 0.00 O ATOM 1190 CB THR A 83 0.791 -12.573 19.642 1.00 0.00 C ATOM 1191 OG1 THR A 83 -0.180 -11.533 19.806 1.00 0.00 O ATOM 1192 CG2 THR A 83 1.996 -12.293 20.528 1.00 0.00 C ATOM 0 H THR A 83 2.516 -14.188 18.795 1.00 0.00 H new ATOM 0 HA THR A 83 0.323 -12.858 17.556 1.00 0.00 H new ATOM 0 HB THR A 83 0.355 -13.527 19.940 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.442 -11.476 20.749 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.675 -12.225 21.568 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.720 -13.101 20.424 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.457 -11.352 20.228 1.00 0.00 H new ATOM 1200 N VAL A 84 1.031 -10.322 17.606 1.00 0.00 N ATOM 1201 CA VAL A 84 1.519 -9.008 17.205 1.00 0.00 C ATOM 1202 C VAL A 84 0.985 -7.918 18.127 1.00 0.00 C ATOM 1203 O VAL A 84 0.072 -8.152 18.919 1.00 0.00 O ATOM 1204 CB VAL A 84 1.120 -8.679 15.754 1.00 0.00 C ATOM 1205 CG1 VAL A 84 1.807 -9.627 14.783 1.00 0.00 C ATOM 1206 CG2 VAL A 84 -0.391 -8.740 15.591 1.00 0.00 C ATOM 0 H VAL A 84 0.026 -10.366 17.772 1.00 0.00 H new ATOM 0 HA VAL A 84 2.606 -9.040 17.276 1.00 0.00 H new ATOM 0 HB VAL A 84 1.447 -7.664 15.527 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.513 -9.379 13.763 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.888 -9.530 14.883 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.513 -10.653 15.006 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.656 -8.505 14.560 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.743 -9.742 15.837 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.859 -8.017 16.259 1.00 0.00 H new ATOM 1216 N VAL A 85 1.559 -6.724 18.018 1.00 0.00 N ATOM 1217 CA VAL A 85 1.139 -5.596 18.841 1.00 0.00 C ATOM 1218 C VAL A 85 1.192 -4.292 18.053 1.00 0.00 C ATOM 1219 O VAL A 85 2.118 -4.059 17.278 1.00 0.00 O ATOM 1220 CB VAL A 85 2.020 -5.460 20.097 1.00 0.00 C ATOM 1221 CG1 VAL A 85 1.705 -6.566 21.093 1.00 0.00 C ATOM 1222 CG2 VAL A 85 3.493 -5.475 19.719 1.00 0.00 C ATOM 0 H VAL A 85 2.316 -6.513 17.368 1.00 0.00 H new ATOM 0 HA VAL A 85 0.111 -5.791 19.146 1.00 0.00 H new ATOM 0 HB VAL A 85 1.800 -4.504 20.571 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.337 -6.453 21.974 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.658 -6.503 21.388 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.894 -7.535 20.632 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.101 -5.378 20.619 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.731 -6.414 19.220 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.705 -4.643 19.047 1.00 0.00 H new ATOM 1232 N GLY A 86 0.189 -3.442 18.258 1.00 0.00 N ATOM 1233 CA GLY A 86 0.140 -2.171 17.560 1.00 0.00 C ATOM 1234 C GLY A 86 -1.170 -1.441 17.778 1.00 0.00 C ATOM 1235 O GLY A 86 -1.234 -0.480 18.546 1.00 0.00 O ATOM 0 H GLY A 86 -0.590 -3.612 18.895 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.964 -1.542 17.898 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.285 -2.340 16.493 1.00 0.00 H new ATOM 1239 N ASP A 87 -2.219 -1.895 17.100 1.00 0.00 N ATOM 1240 CA ASP A 87 -3.534 -1.278 17.222 1.00 0.00 C ATOM 1241 C ASP A 87 -4.471 -2.154 18.048 1.00 0.00 C ATOM 1242 O ASP A 87 -4.195 -3.332 18.275 1.00 0.00 O ATOM 1243 CB ASP A 87 -4.136 -1.030 15.838 1.00 0.00 C ATOM 1244 CG ASP A 87 -4.114 -2.271 14.967 1.00 0.00 C ATOM 1245 OD1 ASP A 87 -4.482 -3.355 15.468 1.00 0.00 O ATOM 1246 OD2 ASP A 87 -3.729 -2.159 13.784 1.00 0.00 O ATOM 0 H ASP A 87 -2.184 -2.689 16.460 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.413 -0.323 17.733 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.164 -0.685 15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.584 -0.232 15.342 1.00 0.00 H new ATOM 1251 N TRP A 88 -5.576 -1.570 18.496 1.00 0.00 N ATOM 1252 CA TRP A 88 -6.553 -2.298 19.298 1.00 0.00 C ATOM 1253 C TRP A 88 -7.914 -2.321 18.610 1.00 0.00 C ATOM 1254 O TRP A 88 -8.954 -2.253 19.267 1.00 0.00 O ATOM 1255 CB TRP A 88 -6.680 -1.663 20.684 1.00 0.00 C ATOM 1256 CG TRP A 88 -7.327 -2.563 21.693 1.00 0.00 C ATOM 1257 CD1 TRP A 88 -8.591 -2.451 22.199 1.00 0.00 C ATOM 1258 CD2 TRP A 88 -6.742 -3.710 22.319 1.00 0.00 C ATOM 1259 NE1 TRP A 88 -8.826 -3.460 23.102 1.00 0.00 N ATOM 1260 CE2 TRP A 88 -7.708 -4.246 23.192 1.00 0.00 C ATOM 1261 CE3 TRP A 88 -5.497 -4.337 22.225 1.00 0.00 C ATOM 1262 CZ2 TRP A 88 -7.465 -5.377 23.966 1.00 0.00 C ATOM 1263 CZ3 TRP A 88 -5.258 -5.460 22.993 1.00 0.00 C ATOM 1264 CH2 TRP A 88 -6.238 -5.972 23.854 1.00 0.00 C ATOM 0 H TRP A 88 -5.818 -0.595 18.318 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.204 -3.325 19.406 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.688 -1.384 21.040 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.260 -0.744 20.603 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.301 -1.683 21.929 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.693 -3.601 23.621 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.735 -3.951 21.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.219 -5.771 24.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -4.299 -5.952 22.929 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.021 -6.853 24.440 1.00 0.00 H new ATOM 1275 N LEU A 89 -7.900 -2.418 17.286 1.00 0.00 N ATOM 1276 CA LEU A 89 -9.134 -2.451 16.508 1.00 0.00 C ATOM 1277 C LEU A 89 -10.018 -1.252 16.838 1.00 0.00 C ATOM 1278 O LEU A 89 -11.234 -1.382 16.971 1.00 0.00 O ATOM 1279 CB LEU A 89 -9.896 -3.750 16.779 1.00 0.00 C ATOM 1280 CG LEU A 89 -10.588 -4.386 15.573 1.00 0.00 C ATOM 1281 CD1 LEU A 89 -11.481 -3.373 14.874 1.00 0.00 C ATOM 1282 CD2 LEU A 89 -9.559 -4.951 14.604 1.00 0.00 C ATOM 0 H LEU A 89 -7.048 -2.475 16.728 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.870 -2.405 15.451 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.199 -4.476 17.197 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.649 -3.554 17.543 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.212 -5.206 15.928 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.965 -3.844 14.018 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.241 -3.016 15.570 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.878 -2.531 14.532 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.070 -5.400 13.752 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.908 -4.149 14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.961 -5.710 15.109 1.00 0.00 H new ATOM 1294 N GLY A 90 -9.397 -0.083 16.965 1.00 0.00 N ATOM 1295 CA GLY A 90 -10.142 1.122 17.275 1.00 0.00 C ATOM 1296 C GLY A 90 -10.478 1.931 16.038 1.00 0.00 C ATOM 1297 O GLY A 90 -11.647 2.067 15.676 1.00 0.00 O ATOM 0 H GLY A 90 -8.391 0.050 16.859 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.064 0.853 17.791 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.561 1.738 17.961 1.00 0.00 H new ATOM 1301 N ASP A 91 -9.453 2.470 15.388 1.00 0.00 N ATOM 1302 CA ASP A 91 -9.645 3.270 14.184 1.00 0.00 C ATOM 1303 C ASP A 91 -9.202 2.500 12.944 1.00 0.00 C ATOM 1304 O ASP A 91 -8.754 3.092 11.962 1.00 0.00 O ATOM 1305 CB ASP A 91 -8.869 4.583 14.290 1.00 0.00 C ATOM 1306 CG ASP A 91 -7.379 4.394 14.082 1.00 0.00 C ATOM 1307 OD1 ASP A 91 -6.796 3.508 14.741 1.00 0.00 O ATOM 1308 OD2 ASP A 91 -6.797 5.132 13.260 1.00 0.00 O ATOM 0 H ASP A 91 -8.480 2.367 15.675 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.708 3.492 14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.250 5.287 13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.043 5.026 15.271 1.00 0.00 H new ATOM 1313 N ALA A 92 -9.328 1.179 12.997 1.00 0.00 N ATOM 1314 CA ALA A 92 -8.941 0.329 11.878 1.00 0.00 C ATOM 1315 C ALA A 92 -9.972 0.395 10.756 1.00 0.00 C ATOM 1316 O ALA A 92 -11.177 0.362 11.005 1.00 0.00 O ATOM 1317 CB ALA A 92 -8.758 -1.108 12.345 1.00 0.00 C ATOM 0 H ALA A 92 -9.695 0.674 13.803 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.992 0.696 11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.469 -1.732 11.499 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.979 -1.147 13.107 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.694 -1.476 12.764 1.00 0.00 H new ATOM 1323 N ARG A 93 -9.490 0.489 9.521 1.00 0.00 N ATOM 1324 CA ARG A 93 -10.371 0.563 8.361 1.00 0.00 C ATOM 1325 C ARG A 93 -9.851 -0.317 7.228 1.00 0.00 C ATOM 1326 O ARG A 93 -8.644 -0.413 7.008 1.00 0.00 O ATOM 1327 CB ARG A 93 -10.497 2.009 7.881 1.00 0.00 C ATOM 1328 CG ARG A 93 -11.134 2.937 8.903 1.00 0.00 C ATOM 1329 CD ARG A 93 -11.435 4.302 8.304 1.00 0.00 C ATOM 1330 NE ARG A 93 -10.217 5.052 8.011 1.00 0.00 N ATOM 1331 CZ ARG A 93 -10.196 6.166 7.287 1.00 0.00 C ATOM 1332 NH1 ARG A 93 -11.321 6.656 6.786 1.00 0.00 N ATOM 1333 NH2 ARG A 93 -9.047 6.792 7.065 1.00 0.00 N ATOM 0 H ARG A 93 -8.495 0.516 9.298 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.355 0.200 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.506 2.386 7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.089 2.029 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -12.056 2.491 9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.467 3.052 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.012 4.176 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.055 4.873 8.996 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.334 4.702 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.206 6.178 6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.302 7.511 6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.180 6.418 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.031 7.647 6.509 1.00 0.00 H new ATOM 1347 N GLU A 94 -10.771 -0.958 6.514 1.00 0.00 N ATOM 1348 CA GLU A 94 -10.405 -1.831 5.405 1.00 0.00 C ATOM 1349 C GLU A 94 -11.209 -1.487 4.154 1.00 0.00 C ATOM 1350 O GLU A 94 -12.362 -1.067 4.240 1.00 0.00 O ATOM 1351 CB GLU A 94 -10.632 -3.296 5.783 1.00 0.00 C ATOM 1352 CG GLU A 94 -11.964 -3.548 6.469 1.00 0.00 C ATOM 1353 CD GLU A 94 -12.176 -5.010 6.813 1.00 0.00 C ATOM 1354 OE1 GLU A 94 -11.578 -5.480 7.803 1.00 0.00 O ATOM 1355 OE2 GLU A 94 -12.940 -5.684 6.090 1.00 0.00 O ATOM 0 H GLU A 94 -11.774 -0.889 6.684 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.347 -1.679 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.575 -3.908 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.827 -3.622 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.017 -2.953 7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.772 -3.210 5.820 1.00 0.00 H new ATOM 1362 N ASN A 95 -10.590 -1.669 2.992 1.00 0.00 N ATOM 1363 CA ASN A 95 -11.246 -1.377 1.722 1.00 0.00 C ATOM 1364 C ASN A 95 -10.583 -2.139 0.579 1.00 0.00 C ATOM 1365 O ASN A 95 -9.367 -2.332 0.571 1.00 0.00 O ATOM 1366 CB ASN A 95 -11.208 0.126 1.438 1.00 0.00 C ATOM 1367 CG ASN A 95 -12.173 0.531 0.341 1.00 0.00 C ATOM 1368 OD1 ASN A 95 -13.328 0.105 0.326 1.00 0.00 O ATOM 1369 ND2 ASN A 95 -11.702 1.358 -0.585 1.00 0.00 N ATOM 0 H ASN A 95 -9.635 -2.017 2.903 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.284 -1.700 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.449 0.672 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.196 0.414 1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.305 1.665 -1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.738 1.686 -0.533 1.00 0.00 H new ATOM 1376 N ASP A 96 -11.390 -2.570 -0.384 1.00 0.00 N ATOM 1377 CA ASP A 96 -10.882 -3.310 -1.533 1.00 0.00 C ATOM 1378 C ASP A 96 -11.476 -2.772 -2.831 1.00 0.00 C ATOM 1379 O ASP A 96 -12.655 -2.418 -2.887 1.00 0.00 O ATOM 1380 CB ASP A 96 -11.201 -4.799 -1.390 1.00 0.00 C ATOM 1381 CG ASP A 96 -10.466 -5.649 -2.408 1.00 0.00 C ATOM 1382 OD1 ASP A 96 -9.220 -5.574 -2.455 1.00 0.00 O ATOM 1383 OD2 ASP A 96 -11.137 -6.390 -3.157 1.00 0.00 O ATOM 0 H ASP A 96 -12.399 -2.420 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.800 -3.180 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.936 -5.130 -0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.275 -4.950 -1.502 1.00 0.00 H new ATOM 1388 N LEU A 97 -10.653 -2.713 -3.873 1.00 0.00 N ATOM 1389 CA LEU A 97 -11.097 -2.217 -5.171 1.00 0.00 C ATOM 1390 C LEU A 97 -11.531 -3.367 -6.074 1.00 0.00 C ATOM 1391 O LEU A 97 -10.711 -4.183 -6.493 1.00 0.00 O ATOM 1392 CB LEU A 97 -9.978 -1.420 -5.844 1.00 0.00 C ATOM 1393 CG LEU A 97 -9.914 0.068 -5.500 1.00 0.00 C ATOM 1394 CD1 LEU A 97 -11.195 0.770 -5.921 1.00 0.00 C ATOM 1395 CD2 LEU A 97 -9.663 0.261 -4.011 1.00 0.00 C ATOM 0 H LEU A 97 -9.675 -3.002 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.954 -1.563 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.024 -1.875 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.088 -1.518 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.084 0.512 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.130 1.828 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.332 0.662 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.042 0.324 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.620 1.326 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.472 -0.199 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.717 -0.206 -3.738 1.00 0.00 H new ATOM 1407 N GLU A 98 -12.826 -3.424 -6.370 1.00 0.00 N ATOM 1408 CA GLU A 98 -13.368 -4.473 -7.225 1.00 0.00 C ATOM 1409 C GLU A 98 -13.424 -4.016 -8.679 1.00 0.00 C ATOM 1410 O GLU A 98 -14.449 -3.520 -9.147 1.00 0.00 O ATOM 1411 CB GLU A 98 -14.767 -4.876 -6.751 1.00 0.00 C ATOM 1412 CG GLU A 98 -15.258 -6.184 -7.347 1.00 0.00 C ATOM 1413 CD GLU A 98 -16.710 -6.468 -7.014 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -17.544 -5.553 -7.172 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -17.011 -7.606 -6.596 1.00 0.00 O ATOM 0 H GLU A 98 -13.518 -2.756 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.707 -5.337 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.763 -4.961 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -15.470 -4.083 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -15.137 -6.154 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.638 -7.002 -6.979 1.00 0.00 H new ATOM 1422 N HIS A 99 -12.313 -4.186 -9.390 1.00 0.00 N ATOM 1423 CA HIS A 99 -12.234 -3.791 -10.792 1.00 0.00 C ATOM 1424 C HIS A 99 -12.267 -5.014 -11.703 1.00 0.00 C ATOM 1425 O HIS A 99 -12.040 -6.139 -11.258 1.00 0.00 O ATOM 1426 CB HIS A 99 -10.961 -2.984 -11.046 1.00 0.00 C ATOM 1427 CG HIS A 99 -9.718 -3.655 -10.547 1.00 0.00 C ATOM 1428 ND1 HIS A 99 -9.163 -3.392 -9.313 1.00 0.00 N ATOM 1429 CD2 HIS A 99 -8.922 -4.586 -11.125 1.00 0.00 C ATOM 1430 CE1 HIS A 99 -8.079 -4.129 -9.153 1.00 0.00 C ATOM 1431 NE2 HIS A 99 -7.911 -4.863 -10.238 1.00 0.00 N ATOM 0 H HIS A 99 -11.456 -4.595 -9.018 1.00 0.00 H new ATOM 0 HA HIS A 99 -13.100 -3.168 -11.018 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.862 -2.804 -12.116 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.056 -2.010 -10.566 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.057 -5.028 -12.101 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.439 -4.131 -8.283 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.153 -5.528 -10.392 1.00 0.00 H new ATOM 1439 N HIS A 100 -12.551 -4.786 -12.982 1.00 0.00 N ATOM 1440 CA HIS A 100 -12.612 -5.869 -13.956 1.00 0.00 C ATOM 1441 C HIS A 100 -11.928 -5.468 -15.260 1.00 0.00 C ATOM 1442 O HIS A 100 -11.443 -4.344 -15.397 1.00 0.00 O ATOM 1443 CB HIS A 100 -14.066 -6.257 -14.228 1.00 0.00 C ATOM 1444 CG HIS A 100 -14.627 -7.220 -13.227 1.00 0.00 C ATOM 1445 ND1 HIS A 100 -15.830 -7.021 -12.584 1.00 0.00 N ATOM 1446 CD2 HIS A 100 -14.142 -8.395 -12.762 1.00 0.00 C ATOM 1447 CE1 HIS A 100 -16.060 -8.031 -11.764 1.00 0.00 C ATOM 1448 NE2 HIS A 100 -15.051 -8.879 -11.854 1.00 0.00 N ATOM 0 H HIS A 100 -12.742 -3.861 -13.367 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.086 -6.728 -13.540 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -14.679 -5.355 -14.235 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -14.136 -6.698 -15.222 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -13.213 -8.864 -13.051 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -16.926 -8.144 -11.128 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -14.962 -9.752 -11.333 1.00 0.00 H new ATOM 1456 N HIS A 101 -11.893 -6.393 -16.213 1.00 0.00 N ATOM 1457 CA HIS A 101 -11.268 -6.135 -17.506 1.00 0.00 C ATOM 1458 C HIS A 101 -11.683 -7.187 -18.530 1.00 0.00 C ATOM 1459 O HIS A 101 -12.258 -8.218 -18.178 1.00 0.00 O ATOM 1460 CB HIS A 101 -9.746 -6.116 -17.365 1.00 0.00 C ATOM 1461 CG HIS A 101 -9.189 -7.342 -16.709 1.00 0.00 C ATOM 1462 ND1 HIS A 101 -8.926 -7.419 -15.358 1.00 0.00 N ATOM 1463 CD2 HIS A 101 -8.847 -8.545 -17.227 1.00 0.00 C ATOM 1464 CE1 HIS A 101 -8.445 -8.616 -15.073 1.00 0.00 C ATOM 1465 NE2 HIS A 101 -8.387 -9.319 -16.190 1.00 0.00 N ATOM 0 H HIS A 101 -12.290 -7.328 -16.115 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.605 -5.160 -17.857 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.299 -6.008 -18.353 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.454 -5.240 -16.786 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.922 -8.841 -18.263 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.149 -8.961 -14.093 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.055 -10.280 -16.269 1.00 0.00 H new ATOM 1473 N HIS A 102 -11.387 -6.921 -19.798 1.00 0.00 N ATOM 1474 CA HIS A 102 -11.730 -7.845 -20.873 1.00 0.00 C ATOM 1475 C HIS A 102 -10.472 -8.369 -21.561 1.00 0.00 C ATOM 1476 O HIS A 102 -9.494 -7.639 -21.728 1.00 0.00 O ATOM 1477 CB HIS A 102 -12.636 -7.159 -21.895 1.00 0.00 C ATOM 1478 CG HIS A 102 -13.488 -8.111 -22.676 1.00 0.00 C ATOM 1479 ND1 HIS A 102 -14.042 -9.249 -22.127 1.00 0.00 N ATOM 1480 CD2 HIS A 102 -13.882 -8.090 -23.970 1.00 0.00 C ATOM 1481 CE1 HIS A 102 -14.738 -9.887 -23.050 1.00 0.00 C ATOM 1482 NE2 HIS A 102 -14.658 -9.204 -24.178 1.00 0.00 N ATOM 0 H HIS A 102 -10.911 -6.073 -20.106 1.00 0.00 H new ATOM 0 HA HIS A 102 -12.263 -8.690 -20.436 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -13.281 -6.449 -21.377 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -12.020 -6.585 -22.587 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -13.633 -7.337 -24.703 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -15.280 -10.810 -22.907 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -15.101 -9.462 -25.060 1.00 0.00 H new ATOM 1490 N HIS A 103 -10.505 -9.637 -21.958 1.00 0.00 N ATOM 1491 CA HIS A 103 -9.367 -10.258 -22.627 1.00 0.00 C ATOM 1492 C HIS A 103 -9.830 -11.112 -23.804 1.00 0.00 C ATOM 1493 O HIS A 103 -11.024 -11.360 -23.973 1.00 0.00 O ATOM 1494 CB HIS A 103 -8.574 -11.115 -21.641 1.00 0.00 C ATOM 1495 CG HIS A 103 -9.411 -12.120 -20.912 1.00 0.00 C ATOM 1496 ND1 HIS A 103 -10.255 -11.784 -19.874 1.00 0.00 N ATOM 1497 CD2 HIS A 103 -9.533 -13.458 -21.076 1.00 0.00 C ATOM 1498 CE1 HIS A 103 -10.858 -12.873 -19.431 1.00 0.00 C ATOM 1499 NE2 HIS A 103 -10.438 -13.902 -20.144 1.00 0.00 N ATOM 0 H HIS A 103 -11.307 -10.254 -21.828 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.723 -9.465 -23.007 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.783 -11.636 -22.180 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.089 -10.463 -20.914 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.015 -14.064 -21.805 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.573 -12.914 -18.623 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.737 -14.869 -20.022 1.00 0.00 H new ATOM 1507 N HIS A 104 -8.876 -11.558 -24.616 1.00 0.00 N ATOM 1508 CA HIS A 104 -9.186 -12.384 -25.778 1.00 0.00 C ATOM 1509 C HIS A 104 -9.712 -13.750 -25.348 1.00 0.00 C ATOM 1510 O HIS A 104 -10.446 -14.405 -26.090 1.00 0.00 O ATOM 1511 CB HIS A 104 -7.945 -12.555 -26.654 1.00 0.00 C ATOM 1512 CG HIS A 104 -8.165 -13.446 -27.837 1.00 0.00 C ATOM 1513 ND1 HIS A 104 -7.373 -14.540 -28.114 1.00 0.00 N ATOM 1514 CD2 HIS A 104 -9.097 -13.401 -28.818 1.00 0.00 C ATOM 1515 CE1 HIS A 104 -7.806 -15.129 -29.214 1.00 0.00 C ATOM 1516 NE2 HIS A 104 -8.852 -14.457 -29.661 1.00 0.00 N ATOM 0 H HIS A 104 -7.883 -11.361 -24.491 1.00 0.00 H new ATOM 0 HA HIS A 104 -9.962 -11.880 -26.355 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.619 -11.575 -27.003 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -7.136 -12.963 -26.048 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -9.886 -12.671 -28.919 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -7.378 -16.009 -29.670 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -9.390 -14.685 -30.497 1.00 0.00 H new TER 1524 HIS A 104