USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 14 SER OG : rot 180:sc= 0.948 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.04 X(o=2,f=1.8) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 55:sc= 1.36 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -150:sc= -0.208 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00447 USER MOD Single : A 17 THR OG1 : rot 111:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0669 K(o=-0.067,f=-0.84) USER MOD Single : A 30 THR OG1 : rot -55:sc= 1.27 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.96! USER MOD Single : A 36 GLN : amide:sc= -0.156! C(o=-0.16!,f=-5.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0961 USER MOD Single : A 48 ASN : amide:sc= 0.687 K(o=0.69,f=-5.9!) USER MOD Single : A 53 SER OG : rot 141:sc= 0.0708 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 62 SER OG : rot 50:sc= 0.752 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 176:sc= 0.461 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 143:sc= 1.24 USER MOD Single : A 72 SER OG : rot -79:sc= 0.312 USER MOD Single : A 81 THR OG1 : rot 104:sc= 0.659 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 113:sc= -0.373! USER MOD Single : A 90 THR OG1 : rot -32:sc= 0.272 USER MOD Single : A 94 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.8!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.239 5.500 16.522 1.00 0.00 N ATOM 2 CA ALA A 1 -16.586 4.643 15.366 1.00 0.00 C ATOM 3 C ALA A 1 -15.537 3.559 15.179 1.00 0.00 C ATOM 4 O ALA A 1 -14.337 3.839 15.196 1.00 0.00 O ATOM 5 CB ALA A 1 -16.714 5.477 14.100 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.964 6.236 16.638 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.194 4.919 17.384 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.315 5.947 16.357 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.547 4.169 15.565 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.969 4.829 13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.497 6.223 14.234 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.767 5.977 13.897 1.00 0.00 H new ATOM 11 N ALA A 2 -15.991 2.326 14.998 1.00 0.00 N ATOM 12 CA ALA A 2 -15.099 1.193 14.812 1.00 0.00 C ATOM 13 C ALA A 2 -15.145 0.690 13.371 1.00 0.00 C ATOM 14 O ALA A 2 -16.141 0.109 12.935 1.00 0.00 O ATOM 15 CB ALA A 2 -15.465 0.077 15.781 1.00 0.00 C ATOM 0 H ALA A 2 -16.982 2.085 14.976 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.080 1.519 15.019 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.792 -0.768 15.634 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.374 0.440 16.805 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.491 -0.241 15.598 1.00 0.00 H new ATOM 21 N PRO A 3 -14.071 0.922 12.607 1.00 0.00 N ATOM 22 CA PRO A 3 -13.986 0.493 11.217 1.00 0.00 C ATOM 23 C PRO A 3 -13.549 -0.962 11.097 1.00 0.00 C ATOM 24 O PRO A 3 -13.127 -1.574 12.080 1.00 0.00 O ATOM 25 CB PRO A 3 -12.927 1.427 10.638 1.00 0.00 C ATOM 26 CG PRO A 3 -12.016 1.725 11.785 1.00 0.00 C ATOM 27 CD PRO A 3 -12.848 1.626 13.041 1.00 0.00 C ATOM 0 HA PRO A 3 -14.945 0.543 10.701 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.388 0.954 9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.376 2.338 10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.187 1.018 11.814 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.583 2.720 11.686 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.326 1.074 13.823 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.078 2.612 13.446 1.00 0.00 H new ATOM 35 N THR A 4 -13.658 -1.516 9.899 1.00 0.00 N ATOM 36 CA THR A 4 -13.271 -2.896 9.656 1.00 0.00 C ATOM 37 C THR A 4 -12.194 -2.974 8.574 1.00 0.00 C ATOM 38 O THR A 4 -12.428 -2.615 7.419 1.00 0.00 O ATOM 39 CB THR A 4 -14.490 -3.742 9.243 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.629 -3.358 10.025 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.213 -5.226 9.439 1.00 0.00 C ATOM 0 H THR A 4 -14.013 -1.028 9.077 1.00 0.00 H new ATOM 0 HA THR A 4 -12.865 -3.297 10.585 1.00 0.00 H new ATOM 0 HB THR A 4 -14.691 -3.565 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.404 -3.896 9.760 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.089 -5.802 9.140 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.359 -5.521 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.992 -5.419 10.489 1.00 0.00 H new ATOM 49 N ALA A 5 -11.010 -3.430 8.955 1.00 0.00 N ATOM 50 CA ALA A 5 -9.900 -3.546 8.021 1.00 0.00 C ATOM 51 C ALA A 5 -9.723 -4.989 7.558 1.00 0.00 C ATOM 52 O ALA A 5 -8.822 -5.697 8.019 1.00 0.00 O ATOM 53 CB ALA A 5 -8.617 -3.026 8.655 1.00 0.00 C ATOM 0 H ALA A 5 -10.793 -3.726 9.907 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.127 -2.938 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.796 -3.119 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.744 -1.978 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.391 -3.608 9.549 1.00 0.00 H new ATOM 59 N THR A 6 -10.590 -5.418 6.650 1.00 0.00 N ATOM 60 CA THR A 6 -10.549 -6.775 6.117 1.00 0.00 C ATOM 61 C THR A 6 -9.465 -6.929 5.048 1.00 0.00 C ATOM 62 O THR A 6 -9.756 -7.099 3.864 1.00 0.00 O ATOM 63 CB THR A 6 -11.915 -7.164 5.526 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.632 -5.977 5.154 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.733 -7.965 6.524 1.00 0.00 C ATOM 0 H THR A 6 -11.337 -4.840 6.264 1.00 0.00 H new ATOM 0 HA THR A 6 -10.309 -7.441 6.946 1.00 0.00 H new ATOM 0 HB THR A 6 -11.746 -7.785 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.082 -5.440 4.546 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.694 -8.227 6.080 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.195 -8.876 6.788 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.898 -7.368 7.421 1.00 0.00 H new ATOM 73 N VAL A 7 -8.214 -6.864 5.475 1.00 0.00 N ATOM 74 CA VAL A 7 -7.085 -6.992 4.568 1.00 0.00 C ATOM 75 C VAL A 7 -6.554 -8.421 4.572 1.00 0.00 C ATOM 76 O VAL A 7 -6.643 -9.123 5.580 1.00 0.00 O ATOM 77 CB VAL A 7 -5.946 -6.016 4.935 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.382 -4.575 4.705 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.505 -6.217 6.378 1.00 0.00 C ATOM 0 H VAL A 7 -7.954 -6.722 6.451 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.442 -6.741 3.569 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.095 -6.227 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.567 -3.902 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.642 -4.437 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.250 -4.354 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.702 -5.519 6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.349 -6.038 7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.148 -7.238 6.510 1.00 0.00 H new ATOM 89 N THR A 8 -6.018 -8.853 3.445 1.00 0.00 N ATOM 90 CA THR A 8 -5.477 -10.195 3.335 1.00 0.00 C ATOM 91 C THR A 8 -3.977 -10.168 3.023 1.00 0.00 C ATOM 92 O THR A 8 -3.573 -9.806 1.918 1.00 0.00 O ATOM 93 CB THR A 8 -6.207 -10.989 2.238 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.631 -10.895 2.423 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.786 -12.448 2.250 1.00 0.00 C ATOM 0 H THR A 8 -5.946 -8.295 2.594 1.00 0.00 H new ATOM 0 HA THR A 8 -5.628 -10.683 4.298 1.00 0.00 H new ATOM 0 HB THR A 8 -5.937 -10.558 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.087 -11.402 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.317 -12.986 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.712 -12.518 2.076 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.026 -12.888 3.218 1.00 0.00 H new ATOM 103 N PRO A 9 -3.135 -10.535 4.004 1.00 0.00 N ATOM 104 CA PRO A 9 -1.679 -10.568 3.826 1.00 0.00 C ATOM 105 C PRO A 9 -1.239 -11.749 2.959 1.00 0.00 C ATOM 106 O PRO A 9 -1.988 -12.712 2.779 1.00 0.00 O ATOM 107 CB PRO A 9 -1.151 -10.716 5.256 1.00 0.00 C ATOM 108 CG PRO A 9 -2.254 -11.379 6.007 1.00 0.00 C ATOM 109 CD PRO A 9 -3.539 -10.934 5.364 1.00 0.00 C ATOM 0 HA PRO A 9 -1.302 -9.682 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.241 -11.315 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.906 -9.746 5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.155 -12.464 5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.230 -11.098 7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.274 -11.738 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.991 -10.103 5.907 1.00 0.00 H new ATOM 117 N SER A 10 -0.027 -11.668 2.423 1.00 0.00 N ATOM 118 CA SER A 10 0.514 -12.722 1.575 1.00 0.00 C ATOM 119 C SER A 10 1.764 -13.333 2.204 1.00 0.00 C ATOM 120 O SER A 10 2.745 -13.622 1.515 1.00 0.00 O ATOM 121 CB SER A 10 0.845 -12.151 0.194 1.00 0.00 C ATOM 122 OG SER A 10 -0.243 -11.399 -0.319 1.00 0.00 O ATOM 0 H SER A 10 0.603 -10.878 2.562 1.00 0.00 H new ATOM 0 HA SER A 10 -0.235 -13.508 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.730 -11.518 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.085 -12.964 -0.491 1.00 0.00 H new ATOM 0 HG SER A 10 -0.242 -11.448 -1.298 1.00 0.00 H new ATOM 128 N SER A 11 1.725 -13.529 3.515 1.00 0.00 N ATOM 129 CA SER A 11 2.851 -14.102 4.236 1.00 0.00 C ATOM 130 C SER A 11 3.030 -15.576 3.889 1.00 0.00 C ATOM 131 O SER A 11 2.178 -16.410 4.206 1.00 0.00 O ATOM 132 CB SER A 11 2.644 -13.942 5.740 1.00 0.00 C ATOM 133 OG SER A 11 2.038 -12.693 6.041 1.00 0.00 O ATOM 0 H SER A 11 0.923 -13.299 4.101 1.00 0.00 H new ATOM 0 HA SER A 11 3.754 -13.569 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.018 -14.753 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.603 -14.018 6.253 1.00 0.00 H new ATOM 0 HG SER A 11 1.914 -12.615 7.010 1.00 0.00 H new ATOM 139 N GLY A 12 4.136 -15.886 3.227 1.00 0.00 N ATOM 140 CA GLY A 12 4.417 -17.252 2.839 1.00 0.00 C ATOM 141 C GLY A 12 4.297 -17.452 1.345 1.00 0.00 C ATOM 142 O GLY A 12 4.634 -18.514 0.822 1.00 0.00 O ATOM 0 H GLY A 12 4.848 -15.210 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.423 -17.521 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.728 -17.924 3.351 1.00 0.00 H new ATOM 146 N LEU A 13 3.831 -16.427 0.650 1.00 0.00 N ATOM 147 CA LEU A 13 3.668 -16.498 -0.791 1.00 0.00 C ATOM 148 C LEU A 13 4.835 -15.809 -1.481 1.00 0.00 C ATOM 149 O LEU A 13 5.574 -15.057 -0.850 1.00 0.00 O ATOM 150 CB LEU A 13 2.337 -15.868 -1.199 1.00 0.00 C ATOM 151 CG LEU A 13 1.109 -16.510 -0.545 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.155 -15.744 -0.894 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.980 -17.973 -0.957 1.00 0.00 C ATOM 0 H LEU A 13 3.559 -15.535 1.062 1.00 0.00 H new ATOM 0 HA LEU A 13 3.658 -17.543 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.357 -14.808 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.234 -15.934 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 13 1.244 -16.468 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.012 -16.220 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.067 -14.717 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.294 -15.745 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.102 -18.409 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.876 -18.038 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.870 -18.519 -0.645 1.00 0.00 H new ATOM 165 N SER A 14 5.009 -16.087 -2.763 1.00 0.00 N ATOM 166 CA SER A 14 6.103 -15.505 -3.533 1.00 0.00 C ATOM 167 C SER A 14 5.698 -14.154 -4.130 1.00 0.00 C ATOM 168 O SER A 14 4.596 -13.658 -3.880 1.00 0.00 O ATOM 169 CB SER A 14 6.518 -16.470 -4.643 1.00 0.00 C ATOM 170 OG SER A 14 6.512 -17.813 -4.180 1.00 0.00 O ATOM 0 H SER A 14 4.406 -16.714 -3.296 1.00 0.00 H new ATOM 0 HA SER A 14 6.947 -15.337 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.838 -16.370 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.514 -16.210 -5.002 1.00 0.00 H new ATOM 0 HG SER A 14 6.780 -18.411 -4.908 1.00 0.00 H new ATOM 176 N ASP A 15 6.589 -13.557 -4.916 1.00 0.00 N ATOM 177 CA ASP A 15 6.308 -12.266 -5.538 1.00 0.00 C ATOM 178 C ASP A 15 5.313 -12.437 -6.679 1.00 0.00 C ATOM 179 O ASP A 15 5.206 -13.511 -7.269 1.00 0.00 O ATOM 180 CB ASP A 15 7.593 -11.598 -6.048 1.00 0.00 C ATOM 181 CG ASP A 15 7.974 -12.041 -7.449 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.631 -13.091 -7.585 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.637 -11.330 -8.422 1.00 0.00 O ATOM 0 H ASP A 15 7.507 -13.943 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 15 5.872 -11.616 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.463 -10.516 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.411 -11.827 -5.365 1.00 0.00 H new ATOM 188 N GLY A 16 4.583 -11.376 -6.985 1.00 0.00 N ATOM 189 CA GLY A 16 3.598 -11.439 -8.043 1.00 0.00 C ATOM 190 C GLY A 16 2.220 -11.763 -7.513 1.00 0.00 C ATOM 191 O GLY A 16 1.240 -11.765 -8.259 1.00 0.00 O ATOM 0 H GLY A 16 4.655 -10.472 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.569 -10.485 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.894 -12.195 -8.770 1.00 0.00 H new ATOM 195 N THR A 17 2.151 -12.057 -6.225 1.00 0.00 N ATOM 196 CA THR A 17 0.894 -12.378 -5.582 1.00 0.00 C ATOM 197 C THR A 17 0.012 -11.136 -5.492 1.00 0.00 C ATOM 198 O THR A 17 0.488 -10.042 -5.185 1.00 0.00 O ATOM 199 CB THR A 17 1.138 -12.952 -4.176 1.00 0.00 C ATOM 200 OG1 THR A 17 2.037 -14.066 -4.257 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.165 -13.398 -3.534 1.00 0.00 C ATOM 0 H THR A 17 2.959 -12.079 -5.603 1.00 0.00 H new ATOM 0 HA THR A 17 0.384 -13.131 -6.183 1.00 0.00 H new ATOM 0 HB THR A 17 1.576 -12.167 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.897 -13.823 -3.854 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.037 -13.799 -2.541 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.840 -12.546 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.629 -14.169 -4.149 1.00 0.00 H new ATOM 209 N VAL A 18 -1.267 -11.307 -5.776 1.00 0.00 N ATOM 210 CA VAL A 18 -2.208 -10.204 -5.737 1.00 0.00 C ATOM 211 C VAL A 18 -2.746 -10.015 -4.322 1.00 0.00 C ATOM 212 O VAL A 18 -3.589 -10.786 -3.854 1.00 0.00 O ATOM 213 CB VAL A 18 -3.380 -10.432 -6.710 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.183 -9.155 -6.882 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.875 -10.943 -8.058 1.00 0.00 C ATOM 0 H VAL A 18 -1.678 -12.203 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.675 -9.304 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.035 -11.194 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.007 -9.334 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.580 -8.842 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.539 -8.371 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.720 -11.097 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.195 -10.211 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.349 -11.887 -7.915 1.00 0.00 H new ATOM 225 N VAL A 19 -2.240 -9.002 -3.640 1.00 0.00 N ATOM 226 CA VAL A 19 -2.664 -8.706 -2.279 1.00 0.00 C ATOM 227 C VAL A 19 -4.054 -8.074 -2.282 1.00 0.00 C ATOM 228 O VAL A 19 -4.304 -7.105 -3.002 1.00 0.00 O ATOM 229 CB VAL A 19 -1.671 -7.759 -1.571 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.989 -7.658 -0.088 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.235 -8.221 -1.780 1.00 0.00 C ATOM 0 H VAL A 19 -1.531 -8.367 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.691 -9.648 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.777 -6.768 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.277 -6.986 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.999 -7.270 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.919 -8.646 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.445 -7.537 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.113 -9.224 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.008 -8.232 -2.846 1.00 0.00 H new ATOM 241 N LYS A 20 -4.952 -8.637 -1.484 1.00 0.00 N ATOM 242 CA LYS A 20 -6.318 -8.144 -1.398 1.00 0.00 C ATOM 243 C LYS A 20 -6.475 -7.156 -0.249 1.00 0.00 C ATOM 244 O LYS A 20 -6.242 -7.491 0.916 1.00 0.00 O ATOM 245 CB LYS A 20 -7.294 -9.310 -1.226 1.00 0.00 C ATOM 246 CG LYS A 20 -8.741 -8.877 -1.064 1.00 0.00 C ATOM 247 CD LYS A 20 -9.682 -10.068 -1.051 1.00 0.00 C ATOM 248 CE LYS A 20 -9.853 -10.658 -2.440 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.762 -11.833 -2.430 1.00 0.00 N ATOM 0 H LYS A 20 -4.756 -9.439 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.546 -7.623 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.216 -9.968 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.999 -9.894 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.852 -8.315 -0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.014 -8.206 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.295 -10.831 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.653 -9.761 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.249 -9.897 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.880 -10.954 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.854 -12.209 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.371 -12.569 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.698 -11.545 -2.080 1.00 0.00 H new ATOM 263 N VAL A 21 -6.865 -5.936 -0.587 1.00 0.00 N ATOM 264 CA VAL A 21 -7.067 -4.895 0.406 1.00 0.00 C ATOM 265 C VAL A 21 -8.500 -4.389 0.332 1.00 0.00 C ATOM 266 O VAL A 21 -8.872 -3.686 -0.608 1.00 0.00 O ATOM 267 CB VAL A 21 -6.084 -3.717 0.205 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.383 -2.586 1.182 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.641 -4.191 0.354 1.00 0.00 C ATOM 0 H VAL A 21 -7.048 -5.643 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.876 -5.325 1.389 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.217 -3.333 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.679 -1.770 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.399 -2.225 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.286 -2.953 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.965 -3.349 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.496 -4.606 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.431 -4.957 -0.392 1.00 0.00 H new ATOM 279 N ALA A 22 -9.308 -4.778 1.306 1.00 0.00 N ATOM 280 CA ALA A 22 -10.699 -4.365 1.349 1.00 0.00 C ATOM 281 C ALA A 22 -11.037 -3.730 2.691 1.00 0.00 C ATOM 282 O ALA A 22 -10.985 -4.384 3.733 1.00 0.00 O ATOM 283 CB ALA A 22 -11.613 -5.552 1.078 1.00 0.00 C ATOM 0 H ALA A 22 -9.022 -5.380 2.078 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.856 -3.618 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.653 -5.226 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.395 -5.962 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.447 -6.319 1.834 1.00 0.00 H new ATOM 289 N GLY A 23 -11.374 -2.452 2.663 1.00 0.00 N ATOM 290 CA GLY A 23 -11.722 -1.755 3.885 1.00 0.00 C ATOM 291 C GLY A 23 -13.205 -1.469 3.968 1.00 0.00 C ATOM 292 O GLY A 23 -13.843 -1.186 2.951 1.00 0.00 O ATOM 0 H GLY A 23 -11.413 -1.883 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.419 -2.354 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.168 -0.818 3.939 1.00 0.00 H new ATOM 296 N ALA A 24 -13.757 -1.559 5.172 1.00 0.00 N ATOM 297 CA ALA A 24 -15.170 -1.300 5.397 1.00 0.00 C ATOM 298 C ALA A 24 -15.344 -0.296 6.531 1.00 0.00 C ATOM 299 O ALA A 24 -14.589 -0.311 7.510 1.00 0.00 O ATOM 300 CB ALA A 24 -15.900 -2.600 5.705 1.00 0.00 C ATOM 0 H ALA A 24 -13.240 -1.812 6.014 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.602 -0.873 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.957 -2.393 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.793 -3.286 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.474 -3.053 6.600 1.00 0.00 H new ATOM 306 N GLY A 25 -16.332 0.575 6.399 1.00 0.00 N ATOM 307 CA GLY A 25 -16.571 1.583 7.409 1.00 0.00 C ATOM 308 C GLY A 25 -15.702 2.800 7.182 1.00 0.00 C ATOM 309 O GLY A 25 -15.265 3.457 8.131 1.00 0.00 O ATOM 0 H GLY A 25 -16.975 0.601 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.621 1.875 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.369 1.168 8.396 1.00 0.00 H new ATOM 313 N LEU A 26 -15.450 3.085 5.912 1.00 0.00 N ATOM 314 CA LEU A 26 -14.620 4.213 5.515 1.00 0.00 C ATOM 315 C LEU A 26 -15.482 5.420 5.154 1.00 0.00 C ATOM 316 O LEU A 26 -16.707 5.381 5.285 1.00 0.00 O ATOM 317 CB LEU A 26 -13.760 3.819 4.315 1.00 0.00 C ATOM 318 CG LEU A 26 -13.051 2.467 4.426 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.485 2.055 3.077 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.942 2.532 5.464 1.00 0.00 C ATOM 0 H LEU A 26 -15.815 2.542 5.129 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.979 4.484 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.391 3.806 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.008 4.592 4.160 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.779 1.720 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.984 1.092 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.295 1.973 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.770 2.804 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.448 1.562 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.215 3.290 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.366 2.790 6.434 1.00 0.00 H new ATOM 332 N GLN A 27 -14.839 6.483 4.688 1.00 0.00 N ATOM 333 CA GLN A 27 -15.551 7.689 4.303 1.00 0.00 C ATOM 334 C GLN A 27 -15.898 7.635 2.821 1.00 0.00 C ATOM 335 O GLN A 27 -15.018 7.748 1.963 1.00 0.00 O ATOM 336 CB GLN A 27 -14.719 8.937 4.603 1.00 0.00 C ATOM 337 CG GLN A 27 -15.545 10.213 4.644 1.00 0.00 C ATOM 338 CD GLN A 27 -16.373 10.323 5.909 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.946 9.903 6.986 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.568 10.878 5.791 1.00 0.00 N ATOM 0 H GLN A 27 -13.827 6.532 4.569 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.470 7.746 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.215 8.808 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.943 9.039 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.882 11.075 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.205 10.244 3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.887 11.214 4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.171 10.970 6.609 1.00 0.00 H new ATOM 349 N ALA A 28 -17.175 7.445 2.527 1.00 0.00 N ATOM 350 CA ALA A 28 -17.638 7.371 1.151 1.00 0.00 C ATOM 351 C ALA A 28 -17.330 8.662 0.401 1.00 0.00 C ATOM 352 O ALA A 28 -17.651 9.752 0.872 1.00 0.00 O ATOM 353 CB ALA A 28 -19.130 7.077 1.113 1.00 0.00 C ATOM 0 H ALA A 28 -17.911 7.339 3.226 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.107 6.558 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.464 7.024 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.326 6.125 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.671 7.871 1.628 1.00 0.00 H new ATOM 359 N GLY A 29 -16.685 8.538 -0.750 1.00 0.00 N ATOM 360 CA GLY A 29 -16.352 9.710 -1.532 1.00 0.00 C ATOM 361 C GLY A 29 -14.875 10.056 -1.490 1.00 0.00 C ATOM 362 O GLY A 29 -14.443 11.017 -2.127 1.00 0.00 O ATOM 0 H GLY A 29 -16.387 7.650 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.651 9.545 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.928 10.559 -1.165 1.00 0.00 H new ATOM 366 N THR A 30 -14.091 9.289 -0.734 1.00 0.00 N ATOM 367 CA THR A 30 -12.658 9.544 -0.646 1.00 0.00 C ATOM 368 C THR A 30 -11.867 8.444 -1.351 1.00 0.00 C ATOM 369 O THR A 30 -12.337 7.310 -1.477 1.00 0.00 O ATOM 370 CB THR A 30 -12.173 9.689 0.819 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.502 8.524 1.588 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.786 10.921 1.472 1.00 0.00 C ATOM 0 H THR A 30 -14.420 8.497 -0.181 1.00 0.00 H new ATOM 0 HA THR A 30 -12.478 10.495 -1.148 1.00 0.00 H new ATOM 0 HB THR A 30 -11.089 9.800 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.466 8.355 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.432 11.003 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.493 11.811 0.915 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.872 10.832 1.469 1.00 0.00 H new ATOM 380 N ALA A 31 -10.679 8.789 -1.829 1.00 0.00 N ATOM 381 CA ALA A 31 -9.826 7.839 -2.529 1.00 0.00 C ATOM 382 C ALA A 31 -8.712 7.348 -1.618 1.00 0.00 C ATOM 383 O ALA A 31 -8.079 8.138 -0.918 1.00 0.00 O ATOM 384 CB ALA A 31 -9.249 8.473 -3.785 1.00 0.00 C ATOM 0 H ALA A 31 -10.283 9.725 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.431 6.981 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.613 7.751 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.061 8.775 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.658 9.348 -3.513 1.00 0.00 H new ATOM 390 N TYR A 32 -8.474 6.047 -1.630 1.00 0.00 N ATOM 391 CA TYR A 32 -7.441 5.456 -0.801 1.00 0.00 C ATOM 392 C TYR A 32 -6.260 4.995 -1.644 1.00 0.00 C ATOM 393 O TYR A 32 -6.423 4.246 -2.608 1.00 0.00 O ATOM 394 CB TYR A 32 -8.014 4.291 0.010 1.00 0.00 C ATOM 395 CG TYR A 32 -8.936 4.737 1.122 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.292 4.934 0.891 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.448 4.967 2.399 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.134 5.348 1.905 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.284 5.382 3.418 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.625 5.571 3.167 1.00 0.00 C ATOM 401 OH TYR A 32 -11.460 5.986 4.183 1.00 0.00 O ATOM 0 H TYR A 32 -8.985 5.379 -2.207 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.080 6.218 -0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.558 3.624 -0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.193 3.715 0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.694 4.761 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.397 4.819 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.186 5.496 1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.888 5.557 4.407 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.942 6.096 5.008 1.00 0.00 H new ATOM 411 N ASP A 33 -5.078 5.467 -1.276 1.00 0.00 N ATOM 412 CA ASP A 33 -3.847 5.121 -1.967 1.00 0.00 C ATOM 413 C ASP A 33 -3.287 3.838 -1.376 1.00 0.00 C ATOM 414 O ASP A 33 -2.972 3.780 -0.185 1.00 0.00 O ATOM 415 CB ASP A 33 -2.821 6.251 -1.830 1.00 0.00 C ATOM 416 CG ASP A 33 -2.200 6.640 -3.156 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.774 7.511 -3.848 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.135 6.093 -3.507 1.00 0.00 O ATOM 0 H ASP A 33 -4.946 6.102 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.059 4.975 -3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.304 7.123 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.034 5.941 -1.142 1.00 0.00 H new ATOM 423 N VAL A 34 -3.192 2.804 -2.195 1.00 0.00 N ATOM 424 CA VAL A 34 -2.692 1.519 -1.735 1.00 0.00 C ATOM 425 C VAL A 34 -1.532 1.039 -2.599 1.00 0.00 C ATOM 426 O VAL A 34 -1.658 0.933 -3.822 1.00 0.00 O ATOM 427 CB VAL A 34 -3.802 0.442 -1.745 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.311 -0.855 -1.113 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.050 0.943 -1.031 1.00 0.00 C ATOM 0 H VAL A 34 -3.454 2.829 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.346 1.665 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.059 0.238 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.111 -1.595 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.455 -1.231 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.016 -0.668 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.816 0.168 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.805 1.184 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.423 1.835 -1.533 1.00 0.00 H new ATOM 439 N GLY A 35 -0.408 0.759 -1.956 1.00 0.00 N ATOM 440 CA GLY A 35 0.759 0.275 -2.661 1.00 0.00 C ATOM 441 C GLY A 35 1.627 -0.573 -1.759 1.00 0.00 C ATOM 442 O GLY A 35 1.389 -0.633 -0.550 1.00 0.00 O ATOM 0 H GLY A 35 -0.284 0.860 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.448 -0.310 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.336 1.119 -3.038 1.00 0.00 H new ATOM 446 N GLN A 36 2.628 -1.234 -2.323 1.00 0.00 N ATOM 447 CA GLN A 36 3.524 -2.065 -1.525 1.00 0.00 C ATOM 448 C GLN A 36 4.601 -1.187 -0.894 1.00 0.00 C ATOM 449 O GLN A 36 5.794 -1.369 -1.119 1.00 0.00 O ATOM 450 CB GLN A 36 4.151 -3.181 -2.367 1.00 0.00 C ATOM 451 CG GLN A 36 4.736 -2.705 -3.686 1.00 0.00 C ATOM 452 CD GLN A 36 5.695 -3.704 -4.298 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.755 -3.853 -5.516 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.461 -4.389 -3.463 1.00 0.00 N ATOM 0 H GLN A 36 2.841 -1.213 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 36 2.945 -2.546 -0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.937 -3.663 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.394 -3.939 -2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.925 -2.510 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.255 -1.760 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.382 -4.237 -2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.130 -5.068 -3.825 1.00 0.00 H new ATOM 463 N CYS A 37 4.146 -0.225 -0.109 1.00 0.00 N ATOM 464 CA CYS A 37 5.021 0.723 0.560 1.00 0.00 C ATOM 465 C CYS A 37 5.914 0.042 1.590 1.00 0.00 C ATOM 466 O CYS A 37 5.494 -0.208 2.719 1.00 0.00 O ATOM 467 CB CYS A 37 4.176 1.811 1.225 1.00 0.00 C ATOM 468 SG CYS A 37 2.638 2.203 0.319 1.00 0.00 S ATOM 0 H CYS A 37 3.155 -0.079 0.083 1.00 0.00 H new ATOM 0 HA CYS A 37 5.675 1.170 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.921 1.493 2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.774 2.718 1.317 1.00 0.00 H new ATOM 473 N ALA A 38 7.139 -0.259 1.184 1.00 0.00 N ATOM 474 CA ALA A 38 8.110 -0.895 2.062 1.00 0.00 C ATOM 475 C ALA A 38 9.074 0.149 2.616 1.00 0.00 C ATOM 476 O ALA A 38 9.023 1.315 2.222 1.00 0.00 O ATOM 477 CB ALA A 38 8.861 -1.992 1.318 1.00 0.00 C ATOM 0 H ALA A 38 7.486 -0.071 0.243 1.00 0.00 H new ATOM 0 HA ALA A 38 7.584 -1.356 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.583 -2.458 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.154 -2.744 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.384 -1.560 0.465 1.00 0.00 H new ATOM 483 N TRP A 39 9.940 -0.264 3.534 1.00 0.00 N ATOM 484 CA TRP A 39 10.910 0.641 4.146 1.00 0.00 C ATOM 485 C TRP A 39 11.922 1.146 3.127 1.00 0.00 C ATOM 486 O TRP A 39 12.627 0.361 2.498 1.00 0.00 O ATOM 487 CB TRP A 39 11.638 -0.059 5.292 1.00 0.00 C ATOM 488 CG TRP A 39 11.023 0.191 6.629 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.700 0.119 6.953 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.710 0.552 7.828 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.522 0.418 8.280 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.742 0.686 8.840 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.052 0.774 8.144 1.00 0.00 C ATOM 494 CZ2 TRP A 39 11.074 1.031 10.145 1.00 0.00 C ATOM 495 CZ3 TRP A 39 13.380 1.118 9.439 1.00 0.00 C ATOM 496 CH2 TRP A 39 12.395 1.243 10.427 1.00 0.00 C ATOM 0 H TRP A 39 9.991 -1.225 3.873 1.00 0.00 H new ATOM 0 HA TRP A 39 10.361 1.499 4.535 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.651 -1.132 5.102 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.676 0.274 5.310 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.908 -0.136 6.265 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.627 0.437 8.769 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.818 0.678 7.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.316 1.128 10.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.414 1.294 9.696 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.685 1.512 11.432 1.00 0.00 H new ATOM 507 N VAL A 40 11.993 2.460 2.973 1.00 0.00 N ATOM 508 CA VAL A 40 12.918 3.066 2.034 1.00 0.00 C ATOM 509 C VAL A 40 14.037 3.801 2.781 1.00 0.00 C ATOM 510 O VAL A 40 15.160 3.926 2.284 1.00 0.00 O ATOM 511 CB VAL A 40 12.181 4.029 1.071 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.729 5.297 1.785 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.056 4.369 -0.123 1.00 0.00 C ATOM 0 H VAL A 40 11.418 3.126 3.489 1.00 0.00 H new ATOM 0 HA VAL A 40 13.364 2.270 1.437 1.00 0.00 H new ATOM 0 HB VAL A 40 11.289 3.516 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.216 5.949 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.050 5.035 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.598 5.815 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.519 5.047 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.972 4.849 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.306 3.456 -0.662 1.00 0.00 H new ATOM 523 N ASP A 41 13.733 4.263 3.987 1.00 0.00 N ATOM 524 CA ASP A 41 14.705 4.981 4.808 1.00 0.00 C ATOM 525 C ASP A 41 14.521 4.594 6.271 1.00 0.00 C ATOM 526 O ASP A 41 13.699 3.732 6.586 1.00 0.00 O ATOM 527 CB ASP A 41 14.543 6.497 4.635 1.00 0.00 C ATOM 528 CG ASP A 41 15.857 7.251 4.753 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.415 7.321 5.865 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.331 7.789 3.736 1.00 0.00 O ATOM 0 H ASP A 41 12.817 4.154 4.422 1.00 0.00 H new ATOM 0 HA ASP A 41 15.710 4.707 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.100 6.701 3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.847 6.871 5.386 1.00 0.00 H new ATOM 535 N THR A 42 15.263 5.239 7.160 1.00 0.00 N ATOM 536 CA THR A 42 15.180 4.953 8.586 1.00 0.00 C ATOM 537 C THR A 42 13.841 5.402 9.163 1.00 0.00 C ATOM 538 O THR A 42 13.694 6.532 9.634 1.00 0.00 O ATOM 539 CB THR A 42 16.326 5.637 9.355 1.00 0.00 C ATOM 540 OG1 THR A 42 16.835 6.740 8.594 1.00 0.00 O ATOM 541 CG2 THR A 42 17.447 4.653 9.641 1.00 0.00 C ATOM 0 H THR A 42 15.933 5.968 6.917 1.00 0.00 H new ATOM 0 HA THR A 42 15.269 3.873 8.703 1.00 0.00 H new ATOM 0 HB THR A 42 15.932 6.001 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.562 7.171 9.089 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.245 5.159 10.185 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.063 3.829 10.243 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.838 4.264 8.701 1.00 0.00 H new ATOM 549 N GLY A 43 12.857 4.518 9.093 1.00 0.00 N ATOM 550 CA GLY A 43 11.543 4.829 9.609 1.00 0.00 C ATOM 551 C GLY A 43 10.630 5.396 8.543 1.00 0.00 C ATOM 552 O GLY A 43 9.468 5.694 8.805 1.00 0.00 O ATOM 0 H GLY A 43 12.947 3.587 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.095 3.927 10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.635 5.546 10.425 1.00 0.00 H new ATOM 556 N VAL A 44 11.152 5.537 7.333 1.00 0.00 N ATOM 557 CA VAL A 44 10.370 6.077 6.228 1.00 0.00 C ATOM 558 C VAL A 44 10.080 4.992 5.202 1.00 0.00 C ATOM 559 O VAL A 44 10.979 4.245 4.808 1.00 0.00 O ATOM 560 CB VAL A 44 11.090 7.252 5.531 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.174 7.925 4.518 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.581 8.264 6.554 1.00 0.00 C ATOM 0 H VAL A 44 12.111 5.286 7.091 1.00 0.00 H new ATOM 0 HA VAL A 44 9.436 6.448 6.651 1.00 0.00 H new ATOM 0 HB VAL A 44 11.953 6.850 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.703 8.749 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.873 7.200 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.289 8.308 5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.085 9.084 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.732 8.654 7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.278 7.780 7.239 1.00 0.00 H new ATOM 572 N LEU A 45 8.831 4.903 4.780 1.00 0.00 N ATOM 573 CA LEU A 45 8.426 3.912 3.801 1.00 0.00 C ATOM 574 C LEU A 45 8.169 4.583 2.454 1.00 0.00 C ATOM 575 O LEU A 45 8.129 5.809 2.367 1.00 0.00 O ATOM 576 CB LEU A 45 7.170 3.174 4.276 1.00 0.00 C ATOM 577 CG LEU A 45 7.314 2.420 5.605 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.930 3.312 6.777 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.464 1.162 5.596 1.00 0.00 C ATOM 0 H LEU A 45 8.077 5.509 5.103 1.00 0.00 H new ATOM 0 HA LEU A 45 9.230 3.185 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.359 3.896 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.873 2.463 3.505 1.00 0.00 H new ATOM 0 HG LEU A 45 8.359 2.133 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.040 2.756 7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.581 4.186 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.894 3.633 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.578 0.639 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.417 1.431 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.786 0.511 4.783 1.00 0.00 H new ATOM 591 N ALA A 46 8.015 3.782 1.410 1.00 0.00 N ATOM 592 CA ALA A 46 7.762 4.308 0.075 1.00 0.00 C ATOM 593 C ALA A 46 6.946 3.327 -0.753 1.00 0.00 C ATOM 594 O ALA A 46 7.229 2.131 -0.758 1.00 0.00 O ATOM 595 CB ALA A 46 9.072 4.629 -0.616 1.00 0.00 C ATOM 0 H ALA A 46 8.061 2.764 1.461 1.00 0.00 H new ATOM 0 HA ALA A 46 7.182 5.226 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.871 5.021 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.616 5.374 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.672 3.723 -0.697 1.00 0.00 H new ATOM 601 N CYS A 47 5.932 3.837 -1.442 1.00 0.00 N ATOM 602 CA CYS A 47 5.061 3.003 -2.270 1.00 0.00 C ATOM 603 C CYS A 47 5.565 2.955 -3.707 1.00 0.00 C ATOM 604 O CYS A 47 6.424 3.749 -4.094 1.00 0.00 O ATOM 605 CB CYS A 47 3.623 3.537 -2.246 1.00 0.00 C ATOM 606 SG CYS A 47 3.015 3.984 -0.586 1.00 0.00 S ATOM 0 H CYS A 47 5.690 4.828 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 47 5.074 1.994 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.563 4.414 -2.890 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.961 2.783 -2.672 1.00 0.00 H new ATOM 611 N ASN A 48 5.032 2.020 -4.488 1.00 0.00 N ATOM 612 CA ASN A 48 5.423 1.870 -5.884 1.00 0.00 C ATOM 613 C ASN A 48 4.487 2.665 -6.790 1.00 0.00 C ATOM 614 O ASN A 48 3.266 2.544 -6.696 1.00 0.00 O ATOM 615 CB ASN A 48 5.441 0.389 -6.299 1.00 0.00 C ATOM 616 CG ASN A 48 4.109 -0.323 -6.113 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.357 -0.055 -5.170 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.822 -1.262 -7.001 1.00 0.00 N ATOM 0 H ASN A 48 4.326 1.353 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 48 6.433 2.264 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.735 0.319 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.203 -0.131 -5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.955 -1.793 -6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.468 -1.455 -7.766 1.00 0.00 H new ATOM 625 N PRO A 49 5.051 3.497 -7.680 1.00 0.00 N ATOM 626 CA PRO A 49 4.272 4.329 -8.595 1.00 0.00 C ATOM 627 C PRO A 49 3.946 3.640 -9.919 1.00 0.00 C ATOM 628 O PRO A 49 3.229 4.196 -10.756 1.00 0.00 O ATOM 629 CB PRO A 49 5.216 5.503 -8.827 1.00 0.00 C ATOM 630 CG PRO A 49 6.575 4.889 -8.804 1.00 0.00 C ATOM 631 CD PRO A 49 6.500 3.721 -7.849 1.00 0.00 C ATOM 0 HA PRO A 49 3.295 4.589 -8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.016 5.993 -9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.108 6.261 -8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.868 4.558 -9.800 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.322 5.612 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.996 2.840 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.983 3.949 -6.899 1.00 0.00 H new ATOM 639 N ALA A 50 4.465 2.437 -10.114 1.00 0.00 N ATOM 640 CA ALA A 50 4.226 1.711 -11.349 1.00 0.00 C ATOM 641 C ALA A 50 3.007 0.798 -11.236 1.00 0.00 C ATOM 642 O ALA A 50 2.022 0.978 -11.953 1.00 0.00 O ATOM 643 CB ALA A 50 5.459 0.916 -11.748 1.00 0.00 C ATOM 0 H ALA A 50 5.050 1.947 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 50 4.017 2.443 -12.129 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.261 0.379 -12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.298 1.596 -11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.703 0.203 -10.960 1.00 0.00 H new ATOM 649 N ASP A 51 3.060 -0.172 -10.330 1.00 0.00 N ATOM 650 CA ASP A 51 1.950 -1.104 -10.158 1.00 0.00 C ATOM 651 C ASP A 51 1.145 -0.791 -8.908 1.00 0.00 C ATOM 652 O ASP A 51 1.139 -1.567 -7.954 1.00 0.00 O ATOM 653 CB ASP A 51 2.460 -2.540 -10.084 1.00 0.00 C ATOM 654 CG ASP A 51 1.984 -3.376 -11.249 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.813 -3.800 -11.249 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.789 -3.614 -12.175 1.00 0.00 O ATOM 0 H ASP A 51 3.852 -0.334 -9.708 1.00 0.00 H new ATOM 0 HA ASP A 51 1.299 -0.993 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.550 -2.536 -10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.125 -2.995 -9.152 1.00 0.00 H new ATOM 661 N PHE A 52 0.489 0.357 -8.907 1.00 0.00 N ATOM 662 CA PHE A 52 -0.334 0.756 -7.775 1.00 0.00 C ATOM 663 C PHE A 52 -1.793 0.822 -8.208 1.00 0.00 C ATOM 664 O PHE A 52 -2.085 0.882 -9.405 1.00 0.00 O ATOM 665 CB PHE A 52 0.129 2.104 -7.199 1.00 0.00 C ATOM 666 CG PHE A 52 -0.322 3.313 -7.975 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.318 3.688 -9.144 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.389 4.077 -7.527 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.096 4.800 -9.852 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.806 5.190 -8.231 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.159 5.551 -9.396 1.00 0.00 C ATOM 0 H PHE A 52 0.509 1.028 -9.675 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.229 0.013 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.236 2.190 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.218 2.107 -7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.151 3.104 -9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.900 3.799 -6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.413 5.081 -10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.637 5.777 -7.870 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.485 6.420 -9.949 1.00 0.00 H new ATOM 681 N SER A 53 -2.706 0.792 -7.247 1.00 0.00 N ATOM 682 CA SER A 53 -4.128 0.844 -7.560 1.00 0.00 C ATOM 683 C SER A 53 -4.911 1.576 -6.480 1.00 0.00 C ATOM 684 O SER A 53 -5.177 1.024 -5.408 1.00 0.00 O ATOM 685 CB SER A 53 -4.690 -0.568 -7.733 1.00 0.00 C ATOM 686 OG SER A 53 -3.870 -1.343 -8.587 1.00 0.00 O ATOM 0 H SER A 53 -2.491 0.732 -6.252 1.00 0.00 H new ATOM 0 HA SER A 53 -4.236 1.394 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.768 -1.053 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.698 -0.513 -8.143 1.00 0.00 H new ATOM 0 HG SER A 53 -3.819 -2.261 -8.247 1.00 0.00 H new ATOM 692 N SER A 54 -5.280 2.811 -6.769 1.00 0.00 N ATOM 693 CA SER A 54 -6.043 3.614 -5.832 1.00 0.00 C ATOM 694 C SER A 54 -7.524 3.286 -5.970 1.00 0.00 C ATOM 695 O SER A 54 -8.072 3.304 -7.072 1.00 0.00 O ATOM 696 CB SER A 54 -5.801 5.100 -6.089 1.00 0.00 C ATOM 697 OG SER A 54 -4.419 5.367 -6.256 1.00 0.00 O ATOM 0 H SER A 54 -5.063 3.280 -7.648 1.00 0.00 H new ATOM 0 HA SER A 54 -5.720 3.385 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.346 5.412 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.190 5.685 -5.256 1.00 0.00 H new ATOM 0 HG SER A 54 -4.288 6.324 -6.421 1.00 0.00 H new ATOM 703 N VAL A 55 -8.164 2.974 -4.856 1.00 0.00 N ATOM 704 CA VAL A 55 -9.574 2.634 -4.866 1.00 0.00 C ATOM 705 C VAL A 55 -10.386 3.690 -4.120 1.00 0.00 C ATOM 706 O VAL A 55 -9.987 4.164 -3.055 1.00 0.00 O ATOM 707 CB VAL A 55 -9.822 1.228 -4.262 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.258 1.127 -2.849 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.305 0.881 -4.284 1.00 0.00 C ATOM 0 H VAL A 55 -7.729 2.949 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.903 2.612 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.296 0.502 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.447 0.130 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.184 1.310 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.739 1.869 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.453 -0.110 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.859 1.616 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.665 0.889 -5.313 1.00 0.00 H new ATOM 719 N THR A 56 -11.503 4.085 -4.706 1.00 0.00 N ATOM 720 CA THR A 56 -12.370 5.074 -4.099 1.00 0.00 C ATOM 721 C THR A 56 -13.456 4.386 -3.281 1.00 0.00 C ATOM 722 O THR A 56 -14.014 3.367 -3.701 1.00 0.00 O ATOM 723 CB THR A 56 -12.996 6.001 -5.169 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.972 6.868 -4.574 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.643 5.198 -6.289 1.00 0.00 C ATOM 0 H THR A 56 -11.830 3.733 -5.606 1.00 0.00 H new ATOM 0 HA THR A 56 -11.769 5.695 -3.434 1.00 0.00 H new ATOM 0 HB THR A 56 -12.191 6.600 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.357 7.449 -5.263 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.073 5.879 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.891 4.573 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.429 4.566 -5.876 1.00 0.00 H new ATOM 733 N ALA A 57 -13.721 4.922 -2.097 1.00 0.00 N ATOM 734 CA ALA A 57 -14.736 4.364 -1.219 1.00 0.00 C ATOM 735 C ALA A 57 -16.112 4.494 -1.851 1.00 0.00 C ATOM 736 O ALA A 57 -16.547 5.600 -2.192 1.00 0.00 O ATOM 737 CB ALA A 57 -14.699 5.047 0.140 1.00 0.00 C ATOM 0 H ALA A 57 -13.245 5.744 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.525 3.305 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.466 4.617 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.719 4.901 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.886 6.114 0.016 1.00 0.00 H new ATOM 743 N ASP A 58 -16.782 3.362 -2.016 1.00 0.00 N ATOM 744 CA ASP A 58 -18.105 3.331 -2.624 1.00 0.00 C ATOM 745 C ASP A 58 -19.162 3.920 -1.697 1.00 0.00 C ATOM 746 O ASP A 58 -18.864 4.328 -0.573 1.00 0.00 O ATOM 747 CB ASP A 58 -18.492 1.898 -3.028 1.00 0.00 C ATOM 748 CG ASP A 58 -18.382 0.877 -1.904 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.667 1.216 -0.739 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.023 -0.287 -2.192 1.00 0.00 O ATOM 0 H ASP A 58 -16.428 2.447 -1.735 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.062 3.947 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.517 1.902 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.855 1.582 -3.854 1.00 0.00 H new ATOM 755 N ALA A 59 -20.402 3.944 -2.174 1.00 0.00 N ATOM 756 CA ALA A 59 -21.519 4.489 -1.407 1.00 0.00 C ATOM 757 C ALA A 59 -21.829 3.645 -0.171 1.00 0.00 C ATOM 758 O ALA A 59 -22.635 4.036 0.670 1.00 0.00 O ATOM 759 CB ALA A 59 -22.754 4.615 -2.290 1.00 0.00 C ATOM 0 H ALA A 59 -20.661 3.590 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.227 5.480 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.579 5.022 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.538 5.281 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.030 3.632 -2.672 1.00 0.00 H new ATOM 765 N ASN A 60 -21.182 2.494 -0.056 1.00 0.00 N ATOM 766 CA ASN A 60 -21.389 1.619 1.086 1.00 0.00 C ATOM 767 C ASN A 60 -20.312 1.879 2.130 1.00 0.00 C ATOM 768 O ASN A 60 -20.337 1.311 3.225 1.00 0.00 O ATOM 769 CB ASN A 60 -21.364 0.148 0.663 1.00 0.00 C ATOM 770 CG ASN A 60 -22.538 -0.234 -0.215 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.598 0.390 -0.167 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.360 -1.271 -1.017 1.00 0.00 N ATOM 0 H ASN A 60 -20.510 2.146 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.370 1.832 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.436 -0.055 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.363 -0.481 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.117 -1.581 -1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.465 -1.761 -1.026 1.00 0.00 H new ATOM 779 N GLY A 61 -19.365 2.745 1.780 1.00 0.00 N ATOM 780 CA GLY A 61 -18.281 3.078 2.683 1.00 0.00 C ATOM 781 C GLY A 61 -17.217 2.005 2.689 1.00 0.00 C ATOM 782 O GLY A 61 -16.546 1.787 3.696 1.00 0.00 O ATOM 0 H GLY A 61 -19.331 3.224 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.839 4.029 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.673 3.209 3.692 1.00 0.00 H new ATOM 786 N SER A 62 -17.065 1.336 1.556 1.00 0.00 N ATOM 787 CA SER A 62 -16.092 0.266 1.420 1.00 0.00 C ATOM 788 C SER A 62 -15.184 0.510 0.221 1.00 0.00 C ATOM 789 O SER A 62 -15.505 1.307 -0.661 1.00 0.00 O ATOM 790 CB SER A 62 -16.823 -1.071 1.280 1.00 0.00 C ATOM 791 OG SER A 62 -18.205 -0.863 1.007 1.00 0.00 O ATOM 0 H SER A 62 -17.608 1.518 0.712 1.00 0.00 H new ATOM 0 HA SER A 62 -15.465 0.240 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.373 -1.655 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.711 -1.650 2.197 1.00 0.00 H new ATOM 0 HG SER A 62 -18.300 -0.225 0.269 1.00 0.00 H new ATOM 797 N ALA A 63 -14.040 -0.159 0.212 1.00 0.00 N ATOM 798 CA ALA A 63 -13.081 -0.026 -0.872 1.00 0.00 C ATOM 799 C ALA A 63 -12.219 -1.277 -0.982 1.00 0.00 C ATOM 800 O ALA A 63 -11.501 -1.629 -0.044 1.00 0.00 O ATOM 801 CB ALA A 63 -12.209 1.200 -0.654 1.00 0.00 C ATOM 0 H ALA A 63 -13.753 -0.803 0.949 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.629 0.096 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.495 1.289 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.836 2.091 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.670 1.100 0.288 1.00 0.00 H new ATOM 807 N SER A 64 -12.300 -1.945 -2.125 1.00 0.00 N ATOM 808 CA SER A 64 -11.530 -3.155 -2.368 1.00 0.00 C ATOM 809 C SER A 64 -10.567 -2.940 -3.534 1.00 0.00 C ATOM 810 O SER A 64 -10.967 -2.473 -4.600 1.00 0.00 O ATOM 811 CB SER A 64 -12.477 -4.320 -2.660 1.00 0.00 C ATOM 812 OG SER A 64 -13.624 -4.270 -1.822 1.00 0.00 O ATOM 0 H SER A 64 -12.897 -1.665 -2.904 1.00 0.00 H new ATOM 0 HA SER A 64 -10.945 -3.393 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.785 -4.289 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.954 -5.264 -2.510 1.00 0.00 H new ATOM 0 HG SER A 64 -14.214 -5.024 -2.030 1.00 0.00 H new ATOM 818 N THR A 65 -9.302 -3.266 -3.326 1.00 0.00 N ATOM 819 CA THR A 65 -8.300 -3.091 -4.362 1.00 0.00 C ATOM 820 C THR A 65 -7.341 -4.282 -4.413 1.00 0.00 C ATOM 821 O THR A 65 -7.253 -5.070 -3.467 1.00 0.00 O ATOM 822 CB THR A 65 -7.502 -1.783 -4.147 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.708 -1.485 -5.305 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.604 -1.888 -2.923 1.00 0.00 C ATOM 0 H THR A 65 -8.946 -3.652 -2.452 1.00 0.00 H new ATOM 0 HA THR A 65 -8.826 -3.029 -5.315 1.00 0.00 H new ATOM 0 HB THR A 65 -8.218 -0.977 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.265 -0.619 -5.184 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.054 -0.956 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.214 -2.075 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.900 -2.709 -3.058 1.00 0.00 H new ATOM 832 N SER A 66 -6.636 -4.398 -5.531 1.00 0.00 N ATOM 833 CA SER A 66 -5.676 -5.469 -5.752 1.00 0.00 C ATOM 834 C SER A 66 -4.310 -4.875 -6.095 1.00 0.00 C ATOM 835 O SER A 66 -4.197 -4.042 -6.999 1.00 0.00 O ATOM 836 CB SER A 66 -6.169 -6.373 -6.884 1.00 0.00 C ATOM 837 OG SER A 66 -7.532 -6.714 -6.696 1.00 0.00 O ATOM 0 H SER A 66 -6.715 -3.748 -6.313 1.00 0.00 H new ATOM 0 HA SER A 66 -5.577 -6.065 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.045 -5.866 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.564 -7.279 -6.922 1.00 0.00 H new ATOM 0 HG SER A 66 -7.829 -7.291 -7.430 1.00 0.00 H new ATOM 843 N LEU A 67 -3.280 -5.298 -5.372 1.00 0.00 N ATOM 844 CA LEU A 67 -1.936 -4.776 -5.588 1.00 0.00 C ATOM 845 C LEU A 67 -0.969 -5.863 -6.044 1.00 0.00 C ATOM 846 O LEU A 67 -0.932 -6.956 -5.471 1.00 0.00 O ATOM 847 CB LEU A 67 -1.414 -4.136 -4.299 1.00 0.00 C ATOM 848 CG LEU A 67 -1.331 -2.608 -4.304 1.00 0.00 C ATOM 849 CD1 LEU A 67 -0.265 -2.135 -5.276 1.00 0.00 C ATOM 850 CD2 LEU A 67 -2.676 -1.997 -4.654 1.00 0.00 C ATOM 0 H LEU A 67 -3.349 -5.998 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.997 -4.029 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.058 -4.444 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.421 -4.535 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.056 -2.279 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.221 -1.046 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.703 -2.540 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.511 -2.479 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.594 -0.910 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.983 -2.335 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.419 -2.306 -3.918 1.00 0.00 H new ATOM 862 N THR A 68 -0.196 -5.558 -7.079 1.00 0.00 N ATOM 863 CA THR A 68 0.790 -6.488 -7.605 1.00 0.00 C ATOM 864 C THR A 68 2.126 -6.278 -6.900 1.00 0.00 C ATOM 865 O THR A 68 2.868 -5.353 -7.227 1.00 0.00 O ATOM 866 CB THR A 68 0.987 -6.296 -9.120 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.199 -5.746 -9.709 1.00 0.00 O ATOM 868 CG2 THR A 68 1.315 -7.615 -9.792 1.00 0.00 C ATOM 0 H THR A 68 -0.235 -4.666 -7.573 1.00 0.00 H new ATOM 0 HA THR A 68 0.425 -7.499 -7.426 1.00 0.00 H new ATOM 0 HB THR A 68 1.819 -5.608 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.050 -5.108 -10.410 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.450 -7.455 -10.862 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.233 -8.021 -9.367 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.498 -8.319 -9.631 1.00 0.00 H new ATOM 876 N VAL A 69 2.421 -7.126 -5.924 1.00 0.00 N ATOM 877 CA VAL A 69 3.663 -7.009 -5.171 1.00 0.00 C ATOM 878 C VAL A 69 4.873 -7.445 -6.002 1.00 0.00 C ATOM 879 O VAL A 69 4.931 -8.566 -6.515 1.00 0.00 O ATOM 880 CB VAL A 69 3.610 -7.812 -3.845 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.394 -9.300 -4.091 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.869 -7.585 -3.020 1.00 0.00 C ATOM 0 H VAL A 69 1.821 -7.899 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 69 3.778 -5.953 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 69 2.754 -7.443 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.363 -9.826 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.451 -9.449 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.213 -9.692 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.807 -8.159 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.740 -7.908 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.963 -6.525 -2.783 1.00 0.00 H new ATOM 892 N ARG A 70 5.822 -6.534 -6.154 1.00 0.00 N ATOM 893 CA ARG A 70 7.041 -6.799 -6.902 1.00 0.00 C ATOM 894 C ARG A 70 8.202 -7.015 -5.938 1.00 0.00 C ATOM 895 O ARG A 70 8.147 -6.578 -4.787 1.00 0.00 O ATOM 896 CB ARG A 70 7.360 -5.630 -7.842 1.00 0.00 C ATOM 897 CG ARG A 70 6.196 -5.208 -8.731 1.00 0.00 C ATOM 898 CD ARG A 70 5.693 -6.359 -9.595 1.00 0.00 C ATOM 899 NE ARG A 70 4.749 -5.905 -10.619 1.00 0.00 N ATOM 900 CZ ARG A 70 4.384 -6.635 -11.676 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.862 -7.864 -11.836 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.534 -6.135 -12.567 1.00 0.00 N ATOM 0 H ARG A 70 5.769 -5.593 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 70 6.894 -7.698 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.676 -4.774 -7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.204 -5.906 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.381 -4.837 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.509 -4.383 -9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.540 -6.849 -10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.211 -7.104 -8.962 1.00 0.00 H new ATOM 0 HE ARG A 70 4.345 -4.974 -10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.510 -8.253 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.581 -8.419 -12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.161 -5.194 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.255 -6.692 -13.374 1.00 0.00 H new ATOM 916 N ARG A 71 9.246 -7.687 -6.403 1.00 0.00 N ATOM 917 CA ARG A 71 10.409 -7.954 -5.572 1.00 0.00 C ATOM 918 C ARG A 71 11.290 -6.706 -5.470 1.00 0.00 C ATOM 919 O ARG A 71 12.069 -6.556 -4.532 1.00 0.00 O ATOM 920 CB ARG A 71 11.197 -9.138 -6.141 1.00 0.00 C ATOM 921 CG ARG A 71 12.149 -9.793 -5.154 1.00 0.00 C ATOM 922 CD ARG A 71 11.416 -10.354 -3.944 1.00 0.00 C ATOM 923 NE ARG A 71 11.269 -11.812 -4.009 1.00 0.00 N ATOM 924 CZ ARG A 71 11.461 -12.632 -2.970 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.859 -12.148 -1.795 1.00 0.00 N ATOM 926 NH2 ARG A 71 11.257 -13.937 -3.111 1.00 0.00 N ATOM 0 H ARG A 71 9.310 -8.057 -7.351 1.00 0.00 H new ATOM 0 HA ARG A 71 10.076 -8.213 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.493 -9.888 -6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.767 -8.797 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.693 -10.595 -5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.888 -9.063 -4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.958 -10.086 -3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.430 -9.894 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 71 11.004 -12.226 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.019 -11.147 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.004 -12.778 -1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.955 -14.312 -4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.403 -14.564 -2.320 1.00 0.00 H new ATOM 940 N SER A 72 11.149 -5.818 -6.443 1.00 0.00 N ATOM 941 CA SER A 72 11.899 -4.573 -6.478 1.00 0.00 C ATOM 942 C SER A 72 11.041 -3.507 -7.142 1.00 0.00 C ATOM 943 O SER A 72 10.380 -3.785 -8.141 1.00 0.00 O ATOM 944 CB SER A 72 13.219 -4.757 -7.237 1.00 0.00 C ATOM 945 OG SER A 72 13.984 -5.822 -6.689 1.00 0.00 O ATOM 0 H SER A 72 10.512 -5.941 -7.230 1.00 0.00 H new ATOM 0 HA SER A 72 12.145 -4.265 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.012 -4.958 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.796 -3.833 -7.197 1.00 0.00 H new ATOM 0 HG SER A 72 14.442 -5.513 -5.880 1.00 0.00 H new ATOM 951 N PHE A 73 11.036 -2.303 -6.588 1.00 0.00 N ATOM 952 CA PHE A 73 10.217 -1.228 -7.135 1.00 0.00 C ATOM 953 C PHE A 73 10.775 0.140 -6.764 1.00 0.00 C ATOM 954 O PHE A 73 11.631 0.258 -5.887 1.00 0.00 O ATOM 955 CB PHE A 73 8.784 -1.351 -6.603 1.00 0.00 C ATOM 956 CG PHE A 73 8.684 -1.207 -5.103 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.967 -2.277 -4.268 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.311 -0.001 -4.533 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.880 -2.144 -2.896 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.222 0.138 -3.162 1.00 0.00 C ATOM 961 CZ PHE A 73 8.508 -0.935 -2.342 1.00 0.00 C ATOM 0 H PHE A 73 11.584 -2.046 -5.767 1.00 0.00 H new ATOM 0 HA PHE A 73 10.224 -1.319 -8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.163 -0.590 -7.075 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.378 -2.320 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.259 -3.225 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.087 0.842 -5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.103 -2.985 -2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.929 1.084 -2.732 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.441 -0.829 -1.269 1.00 0.00 H new ATOM 971 N GLU A 74 10.281 1.169 -7.433 1.00 0.00 N ATOM 972 CA GLU A 74 10.701 2.531 -7.159 1.00 0.00 C ATOM 973 C GLU A 74 9.950 3.045 -5.941 1.00 0.00 C ATOM 974 O GLU A 74 8.729 2.938 -5.872 1.00 0.00 O ATOM 975 CB GLU A 74 10.423 3.434 -8.360 1.00 0.00 C ATOM 976 CG GLU A 74 10.879 2.846 -9.687 1.00 0.00 C ATOM 977 CD GLU A 74 9.765 2.132 -10.432 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.060 1.308 -9.816 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.602 2.388 -11.645 1.00 0.00 O ATOM 0 H GLU A 74 9.585 1.084 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 74 11.774 2.541 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.353 3.636 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.921 4.391 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.276 3.644 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.695 2.146 -9.507 1.00 0.00 H new ATOM 986 N GLY A 75 10.675 3.599 -4.986 1.00 0.00 N ATOM 987 CA GLY A 75 10.050 4.099 -3.784 1.00 0.00 C ATOM 988 C GLY A 75 9.616 5.541 -3.923 1.00 0.00 C ATOM 989 O GLY A 75 10.435 6.415 -4.221 1.00 0.00 O ATOM 0 H GLY A 75 11.688 3.712 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.184 3.482 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.746 4.010 -2.950 1.00 0.00 H new ATOM 993 N PHE A 76 8.335 5.799 -3.697 1.00 0.00 N ATOM 994 CA PHE A 76 7.805 7.143 -3.808 1.00 0.00 C ATOM 995 C PHE A 76 7.114 7.539 -2.519 1.00 0.00 C ATOM 996 O PHE A 76 6.411 6.730 -1.911 1.00 0.00 O ATOM 997 CB PHE A 76 6.833 7.234 -4.983 1.00 0.00 C ATOM 998 CG PHE A 76 7.481 7.677 -6.267 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.530 6.958 -6.819 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.044 8.817 -6.920 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.128 7.366 -7.995 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.640 9.230 -8.099 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.682 8.502 -8.636 1.00 0.00 C ATOM 0 H PHE A 76 7.647 5.093 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 76 8.630 7.832 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.370 6.259 -5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.034 7.931 -4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.884 6.067 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.229 9.391 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.945 6.795 -8.412 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.290 10.121 -8.598 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.147 8.822 -9.557 1.00 0.00 H new ATOM 1013 N LEU A 77 7.330 8.771 -2.096 1.00 0.00 N ATOM 1014 CA LEU A 77 6.722 9.271 -0.879 1.00 0.00 C ATOM 1015 C LEU A 77 5.262 9.633 -1.138 1.00 0.00 C ATOM 1016 O LEU A 77 4.809 9.632 -2.287 1.00 0.00 O ATOM 1017 CB LEU A 77 7.503 10.480 -0.359 1.00 0.00 C ATOM 1018 CG LEU A 77 9.017 10.272 -0.247 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.687 11.545 0.230 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.332 9.122 0.701 1.00 0.00 C ATOM 0 H LEU A 77 7.924 9.445 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 77 6.752 8.493 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.315 11.327 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.115 10.750 0.623 1.00 0.00 H new ATOM 0 HG LEU A 77 9.405 10.020 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.762 11.384 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.489 12.348 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.292 11.820 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.412 8.990 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.933 9.346 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.877 8.206 0.325 1.00 0.00 H new ATOM 1032 N PHE A 78 4.532 9.949 -0.080 1.00 0.00 N ATOM 1033 CA PHE A 78 3.124 10.295 -0.209 1.00 0.00 C ATOM 1034 C PHE A 78 2.965 11.655 -0.874 1.00 0.00 C ATOM 1035 O PHE A 78 1.999 11.889 -1.598 1.00 0.00 O ATOM 1036 CB PHE A 78 2.439 10.283 1.160 1.00 0.00 C ATOM 1037 CG PHE A 78 1.164 9.486 1.183 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.000 10.000 0.633 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.131 8.222 1.750 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.171 9.270 0.648 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.040 7.486 1.768 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.190 8.011 1.217 1.00 0.00 C ATOM 0 H PHE A 78 4.889 9.973 0.875 1.00 0.00 H new ATOM 0 HA PHE A 78 2.644 9.547 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.128 9.874 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.223 11.309 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.010 10.984 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.029 7.807 2.183 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.071 9.682 0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.054 6.502 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.105 7.438 1.230 1.00 0.00 H new ATOM 1052 N ASP A 79 3.925 12.541 -0.638 1.00 0.00 N ATOM 1053 CA ASP A 79 3.891 13.876 -1.228 1.00 0.00 C ATOM 1054 C ASP A 79 4.107 13.802 -2.738 1.00 0.00 C ATOM 1055 O ASP A 79 3.551 14.600 -3.495 1.00 0.00 O ATOM 1056 CB ASP A 79 4.945 14.782 -0.574 1.00 0.00 C ATOM 1057 CG ASP A 79 6.179 14.985 -1.435 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.056 14.098 -1.435 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.278 16.029 -2.115 1.00 0.00 O ATOM 0 H ASP A 79 4.735 12.361 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 79 2.907 14.307 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.497 15.752 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.244 14.350 0.381 1.00 0.00 H new ATOM 1064 N GLY A 80 4.897 12.829 -3.176 1.00 0.00 N ATOM 1065 CA GLY A 80 5.152 12.676 -4.592 1.00 0.00 C ATOM 1066 C GLY A 80 6.625 12.552 -4.926 1.00 0.00 C ATOM 1067 O GLY A 80 6.984 12.069 -6.002 1.00 0.00 O ATOM 0 H GLY A 80 5.363 12.147 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.629 11.791 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.737 13.532 -5.123 1.00 0.00 H new ATOM 1071 N THR A 81 7.480 12.989 -4.016 1.00 0.00 N ATOM 1072 CA THR A 81 8.918 12.923 -4.231 1.00 0.00 C ATOM 1073 C THR A 81 9.414 11.480 -4.159 1.00 0.00 C ATOM 1074 O THR A 81 8.897 10.679 -3.380 1.00 0.00 O ATOM 1075 CB THR A 81 9.663 13.781 -3.189 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.983 15.027 -3.012 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.092 14.055 -3.623 1.00 0.00 C ATOM 0 H THR A 81 7.204 13.393 -3.121 1.00 0.00 H new ATOM 0 HA THR A 81 9.124 13.315 -5.227 1.00 0.00 H new ATOM 0 HB THR A 81 9.683 13.227 -2.251 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.481 15.009 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.591 14.662 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.624 13.111 -3.740 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.088 14.589 -4.573 1.00 0.00 H new ATOM 1085 N ARG A 82 10.386 11.141 -4.994 1.00 0.00 N ATOM 1086 CA ARG A 82 10.951 9.797 -5.006 1.00 0.00 C ATOM 1087 C ARG A 82 12.032 9.682 -3.942 1.00 0.00 C ATOM 1088 O ARG A 82 12.579 10.692 -3.500 1.00 0.00 O ATOM 1089 CB ARG A 82 11.530 9.465 -6.386 1.00 0.00 C ATOM 1090 CG ARG A 82 12.797 10.239 -6.731 1.00 0.00 C ATOM 1091 CD ARG A 82 13.301 9.904 -8.126 1.00 0.00 C ATOM 1092 NE ARG A 82 12.231 9.965 -9.119 1.00 0.00 N ATOM 1093 CZ ARG A 82 12.060 9.076 -10.094 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.905 8.063 -10.239 1.00 0.00 N ATOM 1095 NH2 ARG A 82 11.043 9.210 -10.931 1.00 0.00 N ATOM 0 H ARG A 82 10.801 11.779 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 82 10.157 9.083 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.746 8.397 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.774 9.670 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.599 11.309 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.573 10.011 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.094 10.599 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.739 8.906 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 82 11.571 10.741 -9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.693 7.961 -9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.766 7.386 -10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.396 9.992 -10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.907 8.532 -11.681 1.00 0.00 H new ATOM 1109 N TRP A 83 12.334 8.469 -3.514 1.00 0.00 N ATOM 1110 CA TRP A 83 13.357 8.284 -2.501 1.00 0.00 C ATOM 1111 C TRP A 83 14.330 7.169 -2.888 1.00 0.00 C ATOM 1112 O TRP A 83 15.127 6.712 -2.073 1.00 0.00 O ATOM 1113 CB TRP A 83 12.712 7.996 -1.147 1.00 0.00 C ATOM 1114 CG TRP A 83 13.484 8.569 0.000 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.145 7.875 0.969 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.679 9.957 0.295 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.741 8.744 1.844 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.471 10.026 1.455 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.265 11.148 -0.310 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.853 11.236 2.024 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.646 12.348 0.258 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.435 12.385 1.414 1.00 0.00 C ATOM 0 H TRP A 83 11.894 7.611 -3.845 1.00 0.00 H new ATOM 0 HA TRP A 83 13.931 9.208 -2.426 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.701 8.404 -1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.622 6.918 -1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.192 6.798 1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.297 8.477 2.656 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.659 11.130 -1.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.459 11.267 2.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.330 13.275 -0.198 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.719 13.340 1.831 1.00 0.00 H new ATOM 1133 N GLY A 84 14.268 6.730 -4.138 1.00 0.00 N ATOM 1134 CA GLY A 84 15.167 5.689 -4.591 1.00 0.00 C ATOM 1135 C GLY A 84 14.456 4.395 -4.923 1.00 0.00 C ATOM 1136 O GLY A 84 13.239 4.366 -5.081 1.00 0.00 O ATOM 0 H GLY A 84 13.615 7.074 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.703 6.039 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.913 5.499 -3.819 1.00 0.00 H new ATOM 1140 N THR A 85 15.218 3.323 -5.033 1.00 0.00 N ATOM 1141 CA THR A 85 14.662 2.021 -5.354 1.00 0.00 C ATOM 1142 C THR A 85 14.596 1.144 -4.105 1.00 0.00 C ATOM 1143 O THR A 85 15.579 1.018 -3.374 1.00 0.00 O ATOM 1144 CB THR A 85 15.509 1.326 -6.438 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.805 2.261 -7.486 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.783 0.125 -7.026 1.00 0.00 C ATOM 0 H THR A 85 16.230 3.328 -4.904 1.00 0.00 H new ATOM 0 HA THR A 85 13.651 2.167 -5.735 1.00 0.00 H new ATOM 0 HB THR A 85 16.430 0.974 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.345 1.820 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.409 -0.341 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.574 -0.596 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.846 0.451 -7.477 1.00 0.00 H new ATOM 1154 N VAL A 86 13.433 0.559 -3.857 1.00 0.00 N ATOM 1155 CA VAL A 86 13.245 -0.304 -2.703 1.00 0.00 C ATOM 1156 C VAL A 86 13.330 -1.759 -3.136 1.00 0.00 C ATOM 1157 O VAL A 86 12.741 -2.150 -4.149 1.00 0.00 O ATOM 1158 CB VAL A 86 11.888 -0.052 -2.011 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.816 -0.809 -0.692 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.661 1.436 -1.789 1.00 0.00 C ATOM 0 H VAL A 86 12.604 0.668 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 86 14.034 -0.077 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 86 11.097 -0.420 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.853 -0.621 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.926 -1.877 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.617 -0.472 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.699 1.588 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.455 1.835 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.666 1.952 -2.749 1.00 0.00 H new ATOM 1170 N ASP A 87 14.078 -2.553 -2.388 1.00 0.00 N ATOM 1171 CA ASP A 87 14.245 -3.960 -2.714 1.00 0.00 C ATOM 1172 C ASP A 87 13.647 -4.865 -1.646 1.00 0.00 C ATOM 1173 O ASP A 87 13.863 -4.660 -0.454 1.00 0.00 O ATOM 1174 CB ASP A 87 15.725 -4.300 -2.888 1.00 0.00 C ATOM 1175 CG ASP A 87 15.937 -5.764 -3.200 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.732 -6.157 -4.366 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.299 -6.536 -2.284 1.00 0.00 O ATOM 0 H ASP A 87 14.578 -2.249 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 87 13.714 -4.134 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.144 -3.694 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.266 -4.041 -1.978 1.00 0.00 H new ATOM 1182 N CYS A 88 12.898 -5.864 -2.085 1.00 0.00 N ATOM 1183 CA CYS A 88 12.283 -6.823 -1.183 1.00 0.00 C ATOM 1184 C CYS A 88 12.865 -8.215 -1.426 1.00 0.00 C ATOM 1185 O CYS A 88 12.247 -9.234 -1.109 1.00 0.00 O ATOM 1186 CB CYS A 88 10.761 -6.833 -1.368 1.00 0.00 C ATOM 1187 SG CYS A 88 9.958 -5.244 -0.977 1.00 0.00 S ATOM 0 H CYS A 88 12.700 -6.032 -3.071 1.00 0.00 H new ATOM 0 HA CYS A 88 12.498 -6.529 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.532 -7.100 -2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.333 -7.610 -0.735 1.00 0.00 H new ATOM 1192 N THR A 89 14.058 -8.249 -2.009 1.00 0.00 N ATOM 1193 CA THR A 89 14.741 -9.502 -2.290 1.00 0.00 C ATOM 1194 C THR A 89 15.599 -9.904 -1.097 1.00 0.00 C ATOM 1195 O THR A 89 15.564 -11.051 -0.651 1.00 0.00 O ATOM 1196 CB THR A 89 15.628 -9.386 -3.544 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.953 -8.612 -4.543 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.970 -10.758 -4.109 1.00 0.00 C ATOM 0 H THR A 89 14.573 -7.417 -2.297 1.00 0.00 H new ATOM 0 HA THR A 89 13.983 -10.264 -2.474 1.00 0.00 H new ATOM 0 HB THR A 89 16.557 -8.893 -3.257 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.431 -7.768 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.597 -10.641 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.506 -11.337 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.052 -11.279 -4.381 1.00 0.00 H new ATOM 1206 N THR A 90 16.361 -8.947 -0.577 1.00 0.00 N ATOM 1207 CA THR A 90 17.214 -9.198 0.575 1.00 0.00 C ATOM 1208 C THR A 90 16.659 -8.495 1.810 1.00 0.00 C ATOM 1209 O THR A 90 17.074 -8.772 2.937 1.00 0.00 O ATOM 1210 CB THR A 90 18.667 -8.731 0.323 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.508 -9.099 1.425 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.728 -7.225 0.115 1.00 0.00 C ATOM 0 H THR A 90 16.404 -7.993 -0.936 1.00 0.00 H new ATOM 0 HA THR A 90 17.226 -10.275 0.742 1.00 0.00 H new ATOM 0 HB THR A 90 19.023 -9.222 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.985 -9.089 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.761 -6.923 -0.060 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.119 -6.952 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.348 -6.719 1.003 1.00 0.00 H new ATOM 1220 N ALA A 91 15.708 -7.597 1.592 1.00 0.00 N ATOM 1221 CA ALA A 91 15.101 -6.849 2.681 1.00 0.00 C ATOM 1222 C ALA A 91 13.634 -7.223 2.840 1.00 0.00 C ATOM 1223 O ALA A 91 13.077 -7.941 2.006 1.00 0.00 O ATOM 1224 CB ALA A 91 15.253 -5.354 2.447 1.00 0.00 C ATOM 0 H ALA A 91 15.340 -7.369 0.668 1.00 0.00 H new ATOM 0 HA ALA A 91 15.618 -7.107 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.793 -4.808 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.312 -5.101 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.763 -5.080 1.513 1.00 0.00 H new ATOM 1230 N ALA A 92 13.021 -6.734 3.911 1.00 0.00 N ATOM 1231 CA ALA A 92 11.620 -7.018 4.194 1.00 0.00 C ATOM 1232 C ALA A 92 10.699 -6.281 3.226 1.00 0.00 C ATOM 1233 O ALA A 92 11.143 -5.420 2.465 1.00 0.00 O ATOM 1234 CB ALA A 92 11.290 -6.638 5.628 1.00 0.00 C ATOM 0 H ALA A 92 13.475 -6.136 4.601 1.00 0.00 H new ATOM 0 HA ALA A 92 11.458 -8.088 4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.241 -6.854 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.916 -7.213 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.476 -5.574 5.774 1.00 0.00 H new ATOM 1240 N CYS A 93 9.417 -6.605 3.269 1.00 0.00 N ATOM 1241 CA CYS A 93 8.442 -5.980 2.390 1.00 0.00 C ATOM 1242 C CYS A 93 7.092 -5.903 3.093 1.00 0.00 C ATOM 1243 O CYS A 93 6.820 -6.693 3.998 1.00 0.00 O ATOM 1244 CB CYS A 93 8.322 -6.781 1.091 1.00 0.00 C ATOM 1245 SG CYS A 93 8.077 -5.762 -0.404 1.00 0.00 S ATOM 0 H CYS A 93 9.026 -7.300 3.906 1.00 0.00 H new ATOM 0 HA CYS A 93 8.771 -4.970 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 93 9.223 -7.380 0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.487 -7.476 1.183 1.00 0.00 H new ATOM 1250 N GLN A 94 6.248 -4.958 2.695 1.00 0.00 N ATOM 1251 CA GLN A 94 4.936 -4.805 3.310 1.00 0.00 C ATOM 1252 C GLN A 94 3.989 -4.066 2.374 1.00 0.00 C ATOM 1253 O GLN A 94 4.405 -3.570 1.326 1.00 0.00 O ATOM 1254 CB GLN A 94 5.044 -4.067 4.650 1.00 0.00 C ATOM 1255 CG GLN A 94 5.640 -2.675 4.545 1.00 0.00 C ATOM 1256 CD GLN A 94 7.003 -2.581 5.195 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.035 -2.753 4.544 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.015 -2.315 6.489 1.00 0.00 N ATOM 0 H GLN A 94 6.448 -4.289 1.952 1.00 0.00 H new ATOM 0 HA GLN A 94 4.533 -5.800 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.051 -3.993 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.653 -4.661 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.721 -2.396 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.966 -1.958 5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.137 -2.180 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.902 -2.245 6.987 1.00 0.00 H new ATOM 1267 N VAL A 95 2.719 -4.009 2.751 1.00 0.00 N ATOM 1268 CA VAL A 95 1.704 -3.334 1.953 1.00 0.00 C ATOM 1269 C VAL A 95 1.047 -2.223 2.770 1.00 0.00 C ATOM 1270 O VAL A 95 0.636 -2.445 3.913 1.00 0.00 O ATOM 1271 CB VAL A 95 0.624 -4.325 1.458 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.401 -3.624 0.575 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.267 -5.488 0.716 1.00 0.00 C ATOM 0 H VAL A 95 2.365 -4.426 3.612 1.00 0.00 H new ATOM 0 HA VAL A 95 2.197 -2.904 1.081 1.00 0.00 H new ATOM 0 HB VAL A 95 0.101 -4.718 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.148 -4.345 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.889 -2.832 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.100 -3.193 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.492 -6.175 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.820 -5.110 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.949 -6.013 1.384 1.00 0.00 H new ATOM 1283 N GLY A 96 0.954 -1.035 2.186 1.00 0.00 N ATOM 1284 CA GLY A 96 0.359 0.082 2.877 1.00 0.00 C ATOM 1285 C GLY A 96 -0.907 0.574 2.216 1.00 0.00 C ATOM 1286 O GLY A 96 -1.050 0.497 0.998 1.00 0.00 O ATOM 0 H GLY A 96 1.283 -0.829 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.138 -0.208 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.079 0.899 2.925 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.822 1.085 3.024 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.091 1.595 2.529 1.00 0.00 C ATOM 1292 C LEU A 97 -3.547 2.780 3.373 1.00 0.00 C ATOM 1293 O LEU A 97 -3.816 2.634 4.566 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.160 0.495 2.552 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.270 -0.288 3.865 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.727 -0.457 4.267 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.595 -1.645 3.738 1.00 0.00 C ATOM 0 H LEU A 97 -1.708 1.158 4.035 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.951 1.924 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.128 0.948 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.951 -0.208 1.746 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.760 0.279 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.784 -1.015 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.183 0.524 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.259 -1.001 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.684 -2.185 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.076 -2.218 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.541 -1.506 3.498 1.00 0.00 H new ATOM 1309 N SER A 98 -3.612 3.953 2.767 1.00 0.00 N ATOM 1310 CA SER A 98 -4.034 5.156 3.473 1.00 0.00 C ATOM 1311 C SER A 98 -4.882 6.037 2.564 1.00 0.00 C ATOM 1312 O SER A 98 -4.917 5.829 1.354 1.00 0.00 O ATOM 1313 CB SER A 98 -2.809 5.931 3.967 1.00 0.00 C ATOM 1314 OG SER A 98 -2.015 5.137 4.832 1.00 0.00 O ATOM 0 H SER A 98 -3.378 4.101 1.785 1.00 0.00 H new ATOM 0 HA SER A 98 -4.638 4.863 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.211 6.254 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.131 6.832 4.489 1.00 0.00 H new ATOM 0 HG SER A 98 -1.239 5.655 5.131 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.571 7.009 3.150 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.410 7.928 2.387 1.00 0.00 C ATOM 1322 C ASP A 99 -5.537 8.878 1.564 1.00 0.00 C ATOM 1323 O ASP A 99 -4.310 8.782 1.596 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.337 8.716 3.331 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.735 10.026 3.808 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.767 9.994 4.596 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.232 11.096 3.392 1.00 0.00 O ATOM 0 H ASP A 99 -5.566 7.182 4.155 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.032 7.352 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.277 8.921 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.575 8.097 4.196 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.171 9.784 0.828 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.451 10.745 -0.007 1.00 0.00 C ATOM 1334 C ALA A 100 -4.445 11.569 0.803 1.00 0.00 C ATOM 1335 O ALA A 100 -3.412 11.985 0.279 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.437 11.660 -0.717 1.00 0.00 C ATOM 0 H ALA A 100 -7.186 9.875 0.791 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.885 10.180 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.892 12.372 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.098 11.064 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.029 12.200 0.022 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.748 11.803 2.074 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.862 12.573 2.937 1.00 0.00 C ATOM 1344 C ALA A 101 -2.750 11.694 3.500 1.00 0.00 C ATOM 1345 O ALA A 101 -1.566 12.028 3.395 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.651 13.213 4.067 1.00 0.00 C ATOM 0 H ALA A 101 -5.599 11.471 2.529 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.404 13.360 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.976 13.785 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.408 13.878 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.136 12.436 4.658 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.133 10.573 4.100 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.156 9.661 4.667 1.00 0.00 C ATOM 1354 C GLY A 102 -2.606 9.039 5.978 1.00 0.00 C ATOM 1355 O GLY A 102 -1.781 8.703 6.831 1.00 0.00 O ATOM 0 H GLY A 102 -4.104 10.279 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.949 8.868 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.220 10.196 4.829 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.912 8.888 6.143 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.473 8.304 7.353 1.00 0.00 C ATOM 1361 C ASN A 103 -5.242 7.035 7.015 1.00 0.00 C ATOM 1362 O ASN A 103 -5.552 6.788 5.851 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.401 9.303 8.050 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.676 10.545 8.526 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.076 10.555 9.600 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.736 11.606 7.736 1.00 0.00 N ATOM 0 H ASN A 103 -4.607 9.164 5.449 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.654 8.056 8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.196 9.593 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.877 8.817 8.902 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.274 12.473 8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.244 11.556 6.853 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.547 6.237 8.027 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.283 5.004 7.806 1.00 0.00 C ATOM 1375 C GLY A 104 -5.781 3.875 8.681 1.00 0.00 C ATOM 1376 O GLY A 104 -5.122 4.125 9.694 1.00 0.00 O ATOM 0 H GLY A 104 -5.299 6.419 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.341 5.173 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.199 4.715 6.758 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.080 2.618 8.318 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.640 1.447 9.083 1.00 0.00 C ATOM 1382 C PRO A 105 -4.132 1.254 8.997 1.00 0.00 C ATOM 1383 O PRO A 105 -3.502 1.702 8.039 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.359 0.267 8.409 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.391 0.879 7.519 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.867 2.232 7.136 1.00 0.00 C ATOM 0 HA PRO A 105 -5.872 1.547 10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.660 -0.342 7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.819 -0.387 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.558 0.262 6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.348 0.964 8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.253 2.189 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.674 2.938 6.938 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.553 0.601 9.994 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.117 0.355 10.005 1.00 0.00 C ATOM 1396 C GLU A 106 -1.721 -0.601 8.882 1.00 0.00 C ATOM 1397 O GLU A 106 -2.482 -1.508 8.528 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.680 -0.217 11.354 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.655 0.815 12.470 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.065 0.273 13.752 1.00 0.00 C ATOM 1401 OE1 GLU A 106 0.167 0.099 13.817 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.832 0.020 14.705 1.00 0.00 O ATOM 0 H GLU A 106 -4.053 0.233 10.803 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.612 1.308 9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.355 -1.026 11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.686 -0.653 11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.077 1.681 12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.670 1.163 12.661 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.535 -0.385 8.325 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.042 -1.225 7.249 1.00 0.00 C ATOM 1411 C GLY A 107 0.204 -2.652 7.700 1.00 0.00 C ATOM 1412 O GLY A 107 0.278 -2.930 8.901 1.00 0.00 O ATOM 0 H GLY A 107 0.099 0.364 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.762 -1.224 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.885 -0.805 6.858 1.00 0.00 H new ATOM 1416 N VAL A 108 0.346 -3.559 6.743 1.00 0.00 N ATOM 1417 CA VAL A 108 0.564 -4.964 7.052 1.00 0.00 C ATOM 1418 C VAL A 108 1.867 -5.471 6.440 1.00 0.00 C ATOM 1419 O VAL A 108 2.064 -5.396 5.224 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.610 -5.836 6.551 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.393 -7.296 6.911 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.927 -5.342 7.128 1.00 0.00 C ATOM 0 H VAL A 108 0.314 -3.346 5.746 1.00 0.00 H new ATOM 0 HA VAL A 108 0.628 -5.044 8.137 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.652 -5.753 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.232 -7.889 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.529 -7.651 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.319 -7.397 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.741 -5.968 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.889 -5.392 8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.096 -4.311 6.818 1.00 0.00 H new ATOM 1432 N ALA A 109 2.757 -5.969 7.289 1.00 0.00 N ATOM 1433 CA ALA A 109 4.032 -6.501 6.833 1.00 0.00 C ATOM 1434 C ALA A 109 3.851 -7.918 6.309 1.00 0.00 C ATOM 1435 O ALA A 109 3.051 -8.688 6.847 1.00 0.00 O ATOM 1436 CB ALA A 109 5.057 -6.471 7.955 1.00 0.00 C ATOM 0 H ALA A 109 2.618 -6.015 8.298 1.00 0.00 H new ATOM 0 HA ALA A 109 4.401 -5.874 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.004 -6.873 7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.202 -5.443 8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.701 -7.075 8.789 1.00 0.00 H new ATOM 1442 N ILE A 110 4.579 -8.258 5.256 1.00 0.00 N ATOM 1443 CA ILE A 110 4.483 -9.586 4.664 1.00 0.00 C ATOM 1444 C ILE A 110 5.864 -10.201 4.485 1.00 0.00 C ATOM 1445 O ILE A 110 6.882 -9.528 4.641 1.00 0.00 O ATOM 1446 CB ILE A 110 3.762 -9.559 3.295 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.445 -8.574 2.342 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.291 -9.200 3.475 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.084 -8.788 0.889 1.00 0.00 C ATOM 0 H ILE A 110 5.242 -7.635 4.794 1.00 0.00 H new ATOM 0 HA ILE A 110 3.896 -10.193 5.353 1.00 0.00 H new ATOM 0 HB ILE A 110 3.823 -10.555 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.175 -7.558 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.526 -8.661 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.798 -9.185 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.811 -9.941 4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.211 -8.216 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.604 -8.055 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.379 -9.792 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.008 -8.672 0.760 1.00 0.00 H new ATOM 1461 N SER A 111 5.893 -11.482 4.167 1.00 0.00 N ATOM 1462 CA SER A 111 7.139 -12.194 3.961 1.00 0.00 C ATOM 1463 C SER A 111 6.969 -13.222 2.854 1.00 0.00 C ATOM 1464 O SER A 111 5.928 -13.876 2.763 1.00 0.00 O ATOM 1465 CB SER A 111 7.584 -12.878 5.255 1.00 0.00 C ATOM 1466 OG SER A 111 7.672 -11.941 6.316 1.00 0.00 O ATOM 0 H SER A 111 5.058 -12.055 4.045 1.00 0.00 H new ATOM 0 HA SER A 111 7.908 -11.479 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.877 -13.665 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.552 -13.356 5.105 1.00 0.00 H new ATOM 0 HG SER A 111 7.957 -12.399 7.134 1.00 0.00 H new ATOM 1472 N PHE A 112 7.974 -13.345 2.006 1.00 0.00 N ATOM 1473 CA PHE A 112 7.928 -14.295 0.912 1.00 0.00 C ATOM 1474 C PHE A 112 8.596 -15.596 1.331 1.00 0.00 C ATOM 1475 O PHE A 112 9.468 -15.601 2.202 1.00 0.00 O ATOM 1476 CB PHE A 112 8.615 -13.717 -0.328 1.00 0.00 C ATOM 1477 CG PHE A 112 8.110 -12.354 -0.711 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.833 -12.192 -1.221 1.00 0.00 C ATOM 1479 CD2 PHE A 112 8.914 -11.234 -0.559 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.364 -10.942 -1.571 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.452 -9.982 -0.909 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.177 -9.835 -1.415 1.00 0.00 C ATOM 0 H PHE A 112 8.833 -12.797 2.055 1.00 0.00 H new ATOM 0 HA PHE A 112 6.886 -14.496 0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.688 -13.661 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.469 -14.399 -1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.196 -13.055 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.913 -11.343 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.365 -10.829 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.088 -9.118 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.814 -8.855 -1.689 1.00 0.00 H new ATOM 1492 N ASN A 113 8.177 -16.693 0.727 1.00 0.00 N ATOM 1493 CA ASN A 113 8.738 -17.998 1.048 1.00 0.00 C ATOM 1494 C ASN A 113 10.140 -18.132 0.484 1.00 0.00 C ATOM 1495 O ASN A 113 10.926 -18.937 1.024 1.00 0.00 O ATOM 1496 CB ASN A 113 7.854 -19.126 0.514 1.00 0.00 C ATOM 1497 CG ASN A 113 7.742 -19.124 -0.997 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.568 -19.710 -1.700 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.705 -18.483 -1.506 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.455 -17.433 -0.498 1.00 0.00 O ATOM 0 H ASN A 113 7.450 -16.709 0.011 1.00 0.00 H new ATOM 0 HA ASN A 113 8.783 -18.079 2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.258 -20.084 0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.858 -19.036 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.565 -18.461 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.044 -18.011 -0.889 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.179 6.026 4.481 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.007 7.096 4.193 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.465 7.352 2.889 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.043 6.439 1.791 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.173 5.327 2.173 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.779 5.163 3.464 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.900 4.125 4.101 1.00 20.00 C HETATM 1515 C2' FLN A 114 3.436 3.190 4.988 1.00 20.00 C HETATM 1516 C3' FLN A 114 2.606 2.232 5.572 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.234 2.156 5.307 1.00 20.00 C HETATM 1518 C5' FLN A 114 0.738 3.114 4.411 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.539 4.077 3.812 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.420 6.619 0.630 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.310 8.467 2.663 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.671 9.297 3.739 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.190 9.005 5.033 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.359 7.910 5.262 1.00 20.00 C HETATM 0 H8 FLN A 114 4.991 7.695 6.265 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.473 9.647 5.867 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.103 4.794 3.117 1.00 20.00 H new HETATM 0 H6 FLN A 114 7.317 10.159 3.575 1.00 20.00 H new HETATM 0 H5' FLN A 114 -0.326 3.102 4.174 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.678 8.680 1.660 1.00 20.00 H new HETATM 0 H4' FLN A 114 0.594 1.403 5.766 1.00 20.00 H new HETATM 0 H3' FLN A 114 3.045 1.513 6.264 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.836 4.621 1.414 1.00 20.00 H new HETATM 0 H2' FLN A 114 4.500 3.208 5.224 1.00 20.00 H new