USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot 180:sc= -0.843 USER MOD Set 1.2: A 41 GLN : amide:sc=-0.00881 X(o=-0.85,f=-0.84) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 152:sc= -0.758 (180deg=0) USER MOD Set 2.2: A 21 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 11:sc= 0.557 USER MOD Single : A 5 SER OG : rot -58:sc=0.000503 USER MOD Single : A 6 SER OG : rot 42:sc= 0.892 USER MOD Single : A 8 SER OG : rot 180:sc= -0.981 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.17 F(o=-1.5,f=-0.17) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -83:sc= 1.65 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0431) USER MOD Single : A 32 SER OG : rot 41:sc= 0.37 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0972 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -50:sc= 0.148 USER MOD Single : A 40 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= 0.386 (180deg=-1.88!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.0116 (180deg=-0.174) USER MOD Single : A 53 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-7.7!) USER MOD Single : A 56 GLN : amide:sc= -6.42! C(o=-6.4!,f=-6.7!) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= 0.0679 (180deg=-0.512) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.13 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 75 CYS SG : rot 92:sc= -2.7! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.075) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -1.69 (180deg=-2.5) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-3.1!) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.29) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 74:sc= 0.271 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.867 14.664 -3.951 1.00 0.00 N ATOM 2 CA GLY A 1 3.017 15.212 -2.909 1.00 0.00 C ATOM 3 C GLY A 1 1.912 14.257 -2.501 1.00 0.00 C ATOM 4 O GLY A 1 0.760 14.424 -2.900 1.00 0.00 O ATOM 0 H1 GLY A 1 4.606 15.354 -4.195 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.311 13.787 -3.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.294 14.458 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.625 15.453 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.576 16.146 -3.258 1.00 0.00 H new ATOM 8 N SER A 2 2.264 13.253 -1.705 1.00 0.00 N ATOM 9 CA SER A 2 1.294 12.265 -1.247 1.00 0.00 C ATOM 10 C SER A 2 0.117 12.941 -0.551 1.00 0.00 C ATOM 11 O SER A 2 0.294 13.896 0.206 1.00 0.00 O ATOM 12 CB SER A 2 1.960 11.269 -0.295 1.00 0.00 C ATOM 13 OG SER A 2 0.996 10.446 0.339 1.00 0.00 O ATOM 0 H SER A 2 3.213 13.102 -1.364 1.00 0.00 H new ATOM 0 HA SER A 2 0.919 11.729 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.665 10.648 -0.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.533 11.809 0.458 1.00 0.00 H new ATOM 0 HG SER A 2 1.447 9.818 0.940 1.00 0.00 H new ATOM 19 N SER A 3 -1.085 12.438 -0.813 1.00 0.00 N ATOM 20 CA SER A 3 -2.293 12.995 -0.216 1.00 0.00 C ATOM 21 C SER A 3 -3.153 11.894 0.398 1.00 0.00 C ATOM 22 O SER A 3 -3.498 10.918 -0.265 1.00 0.00 O ATOM 23 CB SER A 3 -3.100 13.762 -1.266 1.00 0.00 C ATOM 24 OG SER A 3 -3.780 12.873 -2.135 1.00 0.00 O ATOM 0 H SER A 3 -1.248 11.646 -1.435 1.00 0.00 H new ATOM 0 HA SER A 3 -1.994 13.682 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.820 14.414 -0.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.434 14.403 -1.844 1.00 0.00 H new ATOM 0 HG SER A 3 -3.724 11.961 -1.780 1.00 0.00 H new ATOM 30 N GLY A 4 -3.495 12.061 1.672 1.00 0.00 N ATOM 31 CA GLY A 4 -4.311 11.074 2.356 1.00 0.00 C ATOM 32 C GLY A 4 -5.761 11.117 1.918 1.00 0.00 C ATOM 33 O GLY A 4 -6.372 10.079 1.665 1.00 0.00 O ATOM 0 H GLY A 4 -3.222 12.861 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.907 10.079 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.254 11.242 3.431 1.00 0.00 H new ATOM 37 N SER A 5 -6.316 12.322 1.829 1.00 0.00 N ATOM 38 CA SER A 5 -7.706 12.496 1.424 1.00 0.00 C ATOM 39 C SER A 5 -8.598 11.445 2.078 1.00 0.00 C ATOM 40 O SER A 5 -9.475 10.871 1.432 1.00 0.00 O ATOM 41 CB SER A 5 -7.830 12.411 -0.099 1.00 0.00 C ATOM 42 OG SER A 5 -9.003 13.063 -0.552 1.00 0.00 O ATOM 0 H SER A 5 -5.824 13.192 2.032 1.00 0.00 H new ATOM 0 HA SER A 5 -8.034 13.482 1.754 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.955 12.865 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.849 11.366 -0.408 1.00 0.00 H new ATOM 0 HG SER A 5 -9.788 12.653 -0.132 1.00 0.00 H new ATOM 48 N SER A 6 -8.367 11.199 3.363 1.00 0.00 N ATOM 49 CA SER A 6 -9.146 10.215 4.105 1.00 0.00 C ATOM 50 C SER A 6 -10.637 10.529 4.025 1.00 0.00 C ATOM 51 O SER A 6 -11.113 11.493 4.624 1.00 0.00 O ATOM 52 CB SER A 6 -8.700 10.177 5.568 1.00 0.00 C ATOM 53 OG SER A 6 -8.963 11.410 6.214 1.00 0.00 O ATOM 0 H SER A 6 -7.647 11.668 3.912 1.00 0.00 H new ATOM 0 HA SER A 6 -8.973 9.238 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.219 9.372 6.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.634 9.955 5.621 1.00 0.00 H new ATOM 0 HG SER A 6 -9.846 11.738 5.945 1.00 0.00 H new ATOM 59 N GLY A 7 -11.370 9.708 3.279 1.00 0.00 N ATOM 60 CA GLY A 7 -12.799 9.915 3.132 1.00 0.00 C ATOM 61 C GLY A 7 -13.575 9.488 4.363 1.00 0.00 C ATOM 62 O GLY A 7 -13.419 10.070 5.436 1.00 0.00 O ATOM 0 H GLY A 7 -11.000 8.903 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.992 10.969 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.157 9.356 2.268 1.00 0.00 H new ATOM 66 N SER A 8 -14.415 8.470 4.207 1.00 0.00 N ATOM 67 CA SER A 8 -15.223 7.970 5.313 1.00 0.00 C ATOM 68 C SER A 8 -14.657 6.659 5.850 1.00 0.00 C ATOM 69 O SER A 8 -14.145 5.823 5.105 1.00 0.00 O ATOM 70 CB SER A 8 -16.671 7.767 4.863 1.00 0.00 C ATOM 71 OG SER A 8 -17.572 7.958 5.941 1.00 0.00 O ATOM 0 H SER A 8 -14.554 7.975 3.326 1.00 0.00 H new ATOM 0 HA SER A 8 -15.199 8.711 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.907 8.465 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.792 6.762 4.458 1.00 0.00 H new ATOM 0 HG SER A 8 -18.491 7.824 5.627 1.00 0.00 H new ATOM 77 N PRO A 9 -14.750 6.474 7.175 1.00 0.00 N ATOM 78 CA PRO A 9 -14.253 5.268 7.843 1.00 0.00 C ATOM 79 C PRO A 9 -15.091 4.037 7.514 1.00 0.00 C ATOM 80 O PRO A 9 -16.279 4.145 7.213 1.00 0.00 O ATOM 81 CB PRO A 9 -14.370 5.612 9.330 1.00 0.00 C ATOM 82 CG PRO A 9 -15.448 6.637 9.398 1.00 0.00 C ATOM 83 CD PRO A 9 -15.348 7.429 8.124 1.00 0.00 C ATOM 0 HA PRO A 9 -13.240 5.016 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.623 4.732 9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.430 6.000 9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.427 6.168 9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.320 7.280 10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.326 7.772 7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.725 8.315 8.249 1.00 0.00 H new ATOM 91 N ALA A 10 -14.463 2.867 7.574 1.00 0.00 N ATOM 92 CA ALA A 10 -15.152 1.615 7.284 1.00 0.00 C ATOM 93 C ALA A 10 -14.323 0.416 7.733 1.00 0.00 C ATOM 94 O ALA A 10 -13.098 0.481 7.836 1.00 0.00 O ATOM 95 CB ALA A 10 -15.465 1.516 5.798 1.00 0.00 C ATOM 0 H ALA A 10 -13.479 2.760 7.821 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.088 1.606 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -15.979 0.576 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.103 2.349 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.537 1.551 5.228 1.00 0.00 H new ATOM 101 N PRO A 11 -15.005 -0.706 8.009 1.00 0.00 N ATOM 102 CA PRO A 11 -14.351 -1.941 8.451 1.00 0.00 C ATOM 103 C PRO A 11 -13.533 -2.594 7.342 1.00 0.00 C ATOM 104 O PRO A 11 -13.578 -2.165 6.189 1.00 0.00 O ATOM 105 CB PRO A 11 -15.524 -2.840 8.850 1.00 0.00 C ATOM 106 CG PRO A 11 -16.676 -2.337 8.050 1.00 0.00 C ATOM 107 CD PRO A 11 -16.466 -0.855 7.908 1.00 0.00 C ATOM 0 HA PRO A 11 -13.641 -1.759 9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.314 -3.886 8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.726 -2.776 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.714 -2.821 7.074 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.621 -2.551 8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.843 -0.485 6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.982 -0.299 8.691 1.00 0.00 H new ATOM 115 N VAL A 12 -12.786 -3.634 7.698 1.00 0.00 N ATOM 116 CA VAL A 12 -11.959 -4.347 6.733 1.00 0.00 C ATOM 117 C VAL A 12 -12.070 -5.856 6.922 1.00 0.00 C ATOM 118 O VAL A 12 -12.183 -6.343 8.046 1.00 0.00 O ATOM 119 CB VAL A 12 -10.479 -3.934 6.847 1.00 0.00 C ATOM 120 CG1 VAL A 12 -9.656 -4.584 5.745 1.00 0.00 C ATOM 121 CG2 VAL A 12 -10.344 -2.420 6.803 1.00 0.00 C ATOM 0 H VAL A 12 -12.737 -4.001 8.648 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.328 -4.080 5.743 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.096 -4.282 7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.614 -4.280 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.727 -5.668 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.036 -4.270 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.292 -2.146 6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.744 -2.046 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.899 -1.981 7.632 1.00 0.00 H new ATOM 131 N GLN A 13 -12.037 -6.589 5.814 1.00 0.00 N ATOM 132 CA GLN A 13 -12.135 -8.044 5.858 1.00 0.00 C ATOM 133 C GLN A 13 -10.867 -8.691 5.312 1.00 0.00 C ATOM 134 O GLN A 13 -10.092 -8.056 4.596 1.00 0.00 O ATOM 135 CB GLN A 13 -13.349 -8.519 5.059 1.00 0.00 C ATOM 136 CG GLN A 13 -13.276 -8.178 3.579 1.00 0.00 C ATOM 137 CD GLN A 13 -14.615 -8.312 2.882 1.00 0.00 C ATOM 138 OE1 GLN A 13 -15.267 -7.315 2.569 1.00 0.00 O ATOM 139 NE2 GLN A 13 -15.033 -9.547 2.634 1.00 0.00 N ATOM 0 H GLN A 13 -11.943 -6.200 4.876 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.255 -8.344 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.446 -9.599 5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.249 -8.073 5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.911 -7.158 3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.552 -8.833 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.460 -10.344 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.927 -9.699 2.167 1.00 0.00 H new ATOM 148 N ASP A 14 -10.661 -9.958 5.654 1.00 0.00 N ATOM 149 CA ASP A 14 -9.487 -10.692 5.197 1.00 0.00 C ATOM 150 C ASP A 14 -9.784 -12.185 5.099 1.00 0.00 C ATOM 151 O ASP A 14 -9.971 -12.874 6.102 1.00 0.00 O ATOM 152 CB ASP A 14 -8.310 -10.455 6.145 1.00 0.00 C ATOM 153 CG ASP A 14 -8.759 -10.168 7.565 1.00 0.00 C ATOM 154 OD1 ASP A 14 -9.400 -11.050 8.174 1.00 0.00 O ATOM 155 OD2 ASP A 14 -8.468 -9.063 8.066 1.00 0.00 O ATOM 0 H ASP A 14 -11.292 -10.498 6.246 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.224 -10.326 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.663 -11.332 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.715 -9.618 5.779 1.00 0.00 H new ATOM 160 N PRO A 15 -9.830 -12.699 3.861 1.00 0.00 N ATOM 161 CA PRO A 15 -10.104 -14.116 3.601 1.00 0.00 C ATOM 162 C PRO A 15 -8.956 -15.019 4.039 1.00 0.00 C ATOM 163 O PRO A 15 -9.151 -15.957 4.812 1.00 0.00 O ATOM 164 CB PRO A 15 -10.278 -14.171 2.081 1.00 0.00 C ATOM 165 CG PRO A 15 -9.501 -13.008 1.569 1.00 0.00 C ATOM 166 CD PRO A 15 -9.616 -11.938 2.619 1.00 0.00 C ATOM 0 HA PRO A 15 -10.972 -14.471 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.902 -15.109 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.329 -14.100 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.459 -13.279 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.899 -12.663 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.714 -11.328 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.446 -11.262 2.414 1.00 0.00 H new ATOM 174 N HIS A 16 -7.758 -14.729 3.541 1.00 0.00 N ATOM 175 CA HIS A 16 -6.578 -15.515 3.882 1.00 0.00 C ATOM 176 C HIS A 16 -5.395 -14.607 4.203 1.00 0.00 C ATOM 177 O HIS A 16 -4.251 -15.059 4.268 1.00 0.00 O ATOM 178 CB HIS A 16 -6.216 -16.456 2.733 1.00 0.00 C ATOM 179 CG HIS A 16 -7.129 -17.638 2.616 1.00 0.00 C ATOM 180 ND1 HIS A 16 -8.477 -17.709 2.516 1.00 0.00 N flip ATOM 181 CD2 HIS A 16 -6.675 -18.940 2.595 1.00 0.00 C flip ATOM 182 CE1 HIS A 16 -8.810 -19.039 2.435 1.00 0.00 C flip ATOM 183 NE2 HIS A 16 -7.704 -19.761 2.485 1.00 0.00 N flip ATOM 0 H HIS A 16 -7.579 -13.956 2.900 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.810 -16.107 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.236 -15.898 1.797 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.194 -16.809 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.640 -19.241 2.659 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.812 -19.431 2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -7.654 -20.779 2.445 1.00 0.00 H new ATOM 192 N LEU A 17 -5.677 -13.324 4.402 1.00 0.00 N ATOM 193 CA LEU A 17 -4.636 -12.351 4.716 1.00 0.00 C ATOM 194 C LEU A 17 -3.670 -12.905 5.758 1.00 0.00 C ATOM 195 O LEU A 17 -3.964 -12.907 6.954 1.00 0.00 O ATOM 196 CB LEU A 17 -5.262 -11.051 5.225 1.00 0.00 C ATOM 197 CG LEU A 17 -4.512 -9.765 4.878 1.00 0.00 C ATOM 198 CD1 LEU A 17 -3.076 -9.834 5.375 1.00 0.00 C ATOM 199 CD2 LEU A 17 -4.547 -9.514 3.378 1.00 0.00 C ATOM 0 H LEU A 17 -6.618 -12.933 4.352 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.078 -12.145 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.273 -10.977 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.352 -11.114 6.309 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.008 -8.933 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.558 -8.910 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.071 -9.965 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.569 -10.677 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.008 -8.594 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.076 -10.349 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.582 -9.419 3.049 1.00 0.00 H new ATOM 211 N ILE A 18 -2.515 -13.373 5.296 1.00 0.00 N ATOM 212 CA ILE A 18 -1.504 -13.926 6.189 1.00 0.00 C ATOM 213 C ILE A 18 -0.357 -12.943 6.397 1.00 0.00 C ATOM 214 O ILE A 18 -0.352 -11.848 5.833 1.00 0.00 O ATOM 215 CB ILE A 18 -0.937 -15.251 5.645 1.00 0.00 C ATOM 216 CG1 ILE A 18 -0.323 -15.037 4.260 1.00 0.00 C ATOM 217 CG2 ILE A 18 -2.027 -16.311 5.590 1.00 0.00 C ATOM 218 CD1 ILE A 18 0.709 -16.079 3.889 1.00 0.00 C ATOM 0 H ILE A 18 -2.256 -13.380 4.309 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.995 -14.115 7.144 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.154 -15.599 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.118 -15.043 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.140 -14.051 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.611 -17.241 5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.422 -16.479 6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.830 -15.973 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.102 -15.865 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.523 -16.058 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.247 -17.066 3.891 1.00 0.00 H new ATOM 230 N LYS A 19 0.616 -13.340 7.210 1.00 0.00 N ATOM 231 CA LYS A 19 1.771 -12.496 7.492 1.00 0.00 C ATOM 232 C LYS A 19 3.038 -13.087 6.881 1.00 0.00 C ATOM 233 O LYS A 19 3.211 -14.305 6.841 1.00 0.00 O ATOM 234 CB LYS A 19 1.951 -12.330 9.003 1.00 0.00 C ATOM 235 CG LYS A 19 2.958 -11.258 9.381 1.00 0.00 C ATOM 236 CD LYS A 19 3.317 -11.325 10.856 1.00 0.00 C ATOM 237 CE LYS A 19 4.298 -12.453 11.139 1.00 0.00 C ATOM 238 NZ LYS A 19 5.712 -12.000 11.026 1.00 0.00 N ATOM 0 H LYS A 19 0.628 -14.242 7.686 1.00 0.00 H new ATOM 0 HA LYS A 19 1.593 -11.518 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.988 -12.086 9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.269 -13.282 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.860 -11.377 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.548 -10.275 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.752 -10.376 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.412 -11.471 11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.121 -12.845 12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.122 -13.271 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.313 -12.580 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.031 -12.101 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.781 -11.002 11.312 1.00 0.00 H new ATOM 252 N VAL A 20 3.922 -12.215 6.406 1.00 0.00 N ATOM 253 CA VAL A 20 5.174 -12.650 5.799 1.00 0.00 C ATOM 254 C VAL A 20 6.331 -11.750 6.219 1.00 0.00 C ATOM 255 O VAL A 20 6.379 -10.573 5.859 1.00 0.00 O ATOM 256 CB VAL A 20 5.079 -12.662 4.262 1.00 0.00 C ATOM 257 CG1 VAL A 20 6.444 -12.925 3.644 1.00 0.00 C ATOM 258 CG2 VAL A 20 4.066 -13.698 3.799 1.00 0.00 C ATOM 0 H VAL A 20 3.794 -11.203 6.430 1.00 0.00 H new ATOM 0 HA VAL A 20 5.360 -13.664 6.152 1.00 0.00 H new ATOM 0 HB VAL A 20 4.739 -11.681 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.357 -12.930 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.138 -12.142 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.816 -13.892 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.012 -13.693 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.373 -14.686 4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.086 -13.459 4.212 1.00 0.00 H new ATOM 268 N THR A 21 7.262 -12.310 6.984 1.00 0.00 N ATOM 269 CA THR A 21 8.419 -11.558 7.455 1.00 0.00 C ATOM 270 C THR A 21 9.533 -11.555 6.414 1.00 0.00 C ATOM 271 O THR A 21 10.040 -12.609 6.030 1.00 0.00 O ATOM 272 CB THR A 21 8.966 -12.136 8.774 1.00 0.00 C ATOM 273 OG1 THR A 21 8.023 -11.921 9.830 1.00 0.00 O ATOM 274 CG2 THR A 21 10.296 -11.492 9.136 1.00 0.00 C ATOM 0 H THR A 21 7.238 -13.282 7.291 1.00 0.00 H new ATOM 0 HA THR A 21 8.083 -10.535 7.627 1.00 0.00 H new ATOM 0 HB THR A 21 9.123 -13.206 8.640 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.377 -12.292 10.665 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.663 -11.916 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.020 -11.681 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.160 -10.417 9.254 1.00 0.00 H new ATOM 282 N VAL A 22 9.911 -10.364 5.962 1.00 0.00 N ATOM 283 CA VAL A 22 10.967 -10.224 4.966 1.00 0.00 C ATOM 284 C VAL A 22 12.327 -10.037 5.630 1.00 0.00 C ATOM 285 O VAL A 22 12.598 -8.999 6.234 1.00 0.00 O ATOM 286 CB VAL A 22 10.699 -9.033 4.027 1.00 0.00 C ATOM 287 CG1 VAL A 22 11.819 -8.894 3.007 1.00 0.00 C ATOM 288 CG2 VAL A 22 9.353 -9.192 3.336 1.00 0.00 C ATOM 0 H VAL A 22 9.502 -9.482 6.270 1.00 0.00 H new ATOM 0 HA VAL A 22 10.974 -11.144 4.381 1.00 0.00 H new ATOM 0 HB VAL A 22 10.669 -8.121 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.612 -8.047 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.764 -8.730 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.884 -9.805 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.180 -8.342 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.351 -10.112 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.562 -9.237 4.085 1.00 0.00 H new ATOM 298 N LYS A 23 13.179 -11.050 5.515 1.00 0.00 N ATOM 299 CA LYS A 23 14.513 -10.999 6.102 1.00 0.00 C ATOM 300 C LYS A 23 15.544 -10.548 5.072 1.00 0.00 C ATOM 301 O LYS A 23 15.891 -11.295 4.156 1.00 0.00 O ATOM 302 CB LYS A 23 14.900 -12.370 6.660 1.00 0.00 C ATOM 303 CG LYS A 23 14.556 -12.548 8.128 1.00 0.00 C ATOM 304 CD LYS A 23 15.534 -13.482 8.821 1.00 0.00 C ATOM 305 CE LYS A 23 16.751 -12.730 9.338 1.00 0.00 C ATOM 306 NZ LYS A 23 17.565 -13.564 10.265 1.00 0.00 N ATOM 0 H LYS A 23 12.969 -11.917 5.020 1.00 0.00 H new ATOM 0 HA LYS A 23 14.497 -10.274 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.396 -13.144 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.972 -12.518 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.564 -11.578 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.545 -12.945 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.035 -13.983 9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.853 -14.258 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.368 -12.415 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.427 -11.825 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.385 -13.016 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.984 -13.844 11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.895 -14.415 9.767 1.00 0.00 H new ATOM 320 N THR A 24 16.032 -9.321 5.227 1.00 0.00 N ATOM 321 CA THR A 24 17.023 -8.771 4.311 1.00 0.00 C ATOM 322 C THR A 24 18.367 -8.580 5.005 1.00 0.00 C ATOM 323 O THR A 24 18.448 -8.444 6.226 1.00 0.00 O ATOM 324 CB THR A 24 16.562 -7.421 3.729 1.00 0.00 C ATOM 325 OG1 THR A 24 17.062 -6.345 4.531 1.00 0.00 O ATOM 326 CG2 THR A 24 15.044 -7.350 3.665 1.00 0.00 C ATOM 0 H THR A 24 15.757 -8.689 5.979 1.00 0.00 H new ATOM 0 HA THR A 24 17.135 -9.489 3.499 1.00 0.00 H new ATOM 0 HB THR A 24 16.957 -7.333 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.473 -6.211 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.742 -6.388 3.251 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.669 -8.152 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.632 -7.459 4.668 1.00 0.00 H new ATOM 334 N PRO A 25 19.447 -8.568 4.211 1.00 0.00 N ATOM 335 CA PRO A 25 20.808 -8.392 4.728 1.00 0.00 C ATOM 336 C PRO A 25 21.053 -6.980 5.248 1.00 0.00 C ATOM 337 O PRO A 25 22.169 -6.634 5.635 1.00 0.00 O ATOM 338 CB PRO A 25 21.690 -8.674 3.510 1.00 0.00 C ATOM 339 CG PRO A 25 20.825 -8.363 2.337 1.00 0.00 C ATOM 340 CD PRO A 25 19.425 -8.724 2.747 1.00 0.00 C ATOM 0 HA PRO A 25 21.009 -9.046 5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 25 22.586 -8.053 3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 25 22.022 -9.712 3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 25 20.894 -7.308 2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 25 21.135 -8.934 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 25 18.689 -8.067 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 25 19.171 -9.743 2.455 1.00 0.00 H new ATOM 348 N LYS A 26 20.002 -6.166 5.254 1.00 0.00 N ATOM 349 CA LYS A 26 20.102 -4.791 5.728 1.00 0.00 C ATOM 350 C LYS A 26 19.080 -4.518 6.827 1.00 0.00 C ATOM 351 O LYS A 26 19.283 -3.650 7.675 1.00 0.00 O ATOM 352 CB LYS A 26 19.892 -3.814 4.569 1.00 0.00 C ATOM 353 CG LYS A 26 20.869 -4.012 3.422 1.00 0.00 C ATOM 354 CD LYS A 26 22.155 -3.235 3.645 1.00 0.00 C ATOM 355 CE LYS A 26 23.182 -4.063 4.404 1.00 0.00 C ATOM 356 NZ LYS A 26 24.549 -3.484 4.297 1.00 0.00 N ATOM 0 H LYS A 26 19.071 -6.435 4.936 1.00 0.00 H new ATOM 0 HA LYS A 26 21.101 -4.648 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.875 -3.924 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.985 -2.794 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 26 21.097 -5.073 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.406 -3.691 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 26 22.569 -2.931 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 26 21.939 -2.323 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 26 22.895 -4.125 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 26 23.187 -5.081 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 25.219 -4.077 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 24.834 -3.448 3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 24.550 -2.522 4.692 1.00 0.00 H new ATOM 370 N ASP A 27 17.983 -5.267 6.807 1.00 0.00 N ATOM 371 CA ASP A 27 16.930 -5.108 7.804 1.00 0.00 C ATOM 372 C ASP A 27 15.840 -6.158 7.616 1.00 0.00 C ATOM 373 O ASP A 27 15.914 -6.991 6.711 1.00 0.00 O ATOM 374 CB ASP A 27 16.325 -3.706 7.718 1.00 0.00 C ATOM 375 CG ASP A 27 17.039 -2.711 8.612 1.00 0.00 C ATOM 376 OD1 ASP A 27 16.983 -2.878 9.849 1.00 0.00 O ATOM 377 OD2 ASP A 27 17.654 -1.767 8.075 1.00 0.00 O ATOM 0 H ASP A 27 17.800 -5.990 6.112 1.00 0.00 H new ATOM 0 HA ASP A 27 17.374 -5.244 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.367 -3.358 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.272 -3.750 7.997 1.00 0.00 H new ATOM 382 N LYS A 28 14.829 -6.115 8.476 1.00 0.00 N ATOM 383 CA LYS A 28 13.723 -7.062 8.406 1.00 0.00 C ATOM 384 C LYS A 28 12.418 -6.408 8.848 1.00 0.00 C ATOM 385 O LYS A 28 12.399 -5.610 9.784 1.00 0.00 O ATOM 386 CB LYS A 28 14.014 -8.284 9.280 1.00 0.00 C ATOM 387 CG LYS A 28 13.822 -8.030 10.765 1.00 0.00 C ATOM 388 CD LYS A 28 12.397 -8.327 11.201 1.00 0.00 C ATOM 389 CE LYS A 28 11.988 -7.473 12.392 1.00 0.00 C ATOM 390 NZ LYS A 28 12.892 -7.678 13.557 1.00 0.00 N ATOM 0 H LYS A 28 14.753 -5.433 9.231 1.00 0.00 H new ATOM 0 HA LYS A 28 13.617 -7.381 7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.363 -9.103 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.040 -8.609 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.514 -8.650 11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.064 -6.992 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.716 -8.144 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.307 -9.382 11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.998 -6.421 12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.965 -7.716 12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.496 -7.200 14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.983 -8.696 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.829 -7.281 13.343 1.00 0.00 H new ATOM 404 N GLU A 29 11.328 -6.753 8.168 1.00 0.00 N ATOM 405 CA GLU A 29 10.019 -6.199 8.492 1.00 0.00 C ATOM 406 C GLU A 29 8.913 -7.210 8.201 1.00 0.00 C ATOM 407 O GLU A 29 9.010 -7.998 7.260 1.00 0.00 O ATOM 408 CB GLU A 29 9.774 -4.915 7.698 1.00 0.00 C ATOM 409 CG GLU A 29 8.876 -3.919 8.413 1.00 0.00 C ATOM 410 CD GLU A 29 9.324 -3.647 9.836 1.00 0.00 C ATOM 411 OE1 GLU A 29 10.321 -2.916 10.014 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.679 -4.164 10.771 1.00 0.00 O ATOM 0 H GLU A 29 11.326 -7.413 7.390 1.00 0.00 H new ATOM 0 HA GLU A 29 10.004 -5.967 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.732 -4.441 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.326 -5.171 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.862 -2.983 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.854 -4.299 8.424 1.00 0.00 H new ATOM 419 N ASP A 30 7.863 -7.179 9.014 1.00 0.00 N ATOM 420 CA ASP A 30 6.738 -8.092 8.844 1.00 0.00 C ATOM 421 C ASP A 30 5.697 -7.500 7.899 1.00 0.00 C ATOM 422 O ASP A 30 5.352 -6.322 7.998 1.00 0.00 O ATOM 423 CB ASP A 30 6.098 -8.403 10.197 1.00 0.00 C ATOM 424 CG ASP A 30 7.086 -8.300 11.343 1.00 0.00 C ATOM 425 OD1 ASP A 30 7.446 -7.163 11.714 1.00 0.00 O ATOM 426 OD2 ASP A 30 7.500 -9.355 11.867 1.00 0.00 O ATOM 0 H ASP A 30 7.767 -6.532 9.797 1.00 0.00 H new ATOM 0 HA ASP A 30 7.115 -9.017 8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.271 -7.715 10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.677 -9.408 10.174 1.00 0.00 H new ATOM 431 N PHE A 31 5.201 -8.325 6.982 1.00 0.00 N ATOM 432 CA PHE A 31 4.201 -7.883 6.017 1.00 0.00 C ATOM 433 C PHE A 31 2.907 -8.678 6.172 1.00 0.00 C ATOM 434 O PHE A 31 2.881 -9.720 6.827 1.00 0.00 O ATOM 435 CB PHE A 31 4.736 -8.031 4.592 1.00 0.00 C ATOM 436 CG PHE A 31 5.797 -7.026 4.242 1.00 0.00 C ATOM 437 CD1 PHE A 31 7.053 -7.096 4.823 1.00 0.00 C ATOM 438 CD2 PHE A 31 5.538 -6.013 3.334 1.00 0.00 C ATOM 439 CE1 PHE A 31 8.030 -6.172 4.504 1.00 0.00 C ATOM 440 CE2 PHE A 31 6.511 -5.087 3.010 1.00 0.00 C ATOM 441 CZ PHE A 31 7.760 -5.167 3.595 1.00 0.00 C ATOM 0 H PHE A 31 5.475 -9.303 6.887 1.00 0.00 H new ATOM 0 HA PHE A 31 3.986 -6.832 6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.142 -9.035 4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.908 -7.933 3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.271 -7.881 5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.563 -5.946 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.005 -6.235 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.295 -4.302 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.523 -4.446 3.342 1.00 0.00 H new ATOM 451 N SER A 32 1.836 -8.177 5.565 1.00 0.00 N ATOM 452 CA SER A 32 0.538 -8.837 5.639 1.00 0.00 C ATOM 453 C SER A 32 -0.105 -8.927 4.258 1.00 0.00 C ATOM 454 O SER A 32 -0.429 -7.911 3.644 1.00 0.00 O ATOM 455 CB SER A 32 -0.388 -8.084 6.596 1.00 0.00 C ATOM 456 OG SER A 32 -0.516 -6.725 6.217 1.00 0.00 O ATOM 0 H SER A 32 1.841 -7.317 5.017 1.00 0.00 H new ATOM 0 HA SER A 32 0.694 -9.848 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.370 -8.557 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.004 -8.146 7.611 1.00 0.00 H new ATOM 0 HG SER A 32 -0.593 -6.663 5.242 1.00 0.00 H new ATOM 462 N VAL A 33 -0.286 -10.152 3.775 1.00 0.00 N ATOM 463 CA VAL A 33 -0.891 -10.377 2.468 1.00 0.00 C ATOM 464 C VAL A 33 -1.577 -11.737 2.406 1.00 0.00 C ATOM 465 O VAL A 33 -1.210 -12.664 3.129 1.00 0.00 O ATOM 466 CB VAL A 33 0.157 -10.291 1.342 1.00 0.00 C ATOM 467 CG1 VAL A 33 0.583 -8.848 1.118 1.00 0.00 C ATOM 468 CG2 VAL A 33 1.359 -11.166 1.666 1.00 0.00 C ATOM 0 H VAL A 33 -0.022 -11.004 4.270 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.634 -9.592 2.324 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.294 -10.659 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.323 -8.807 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.285 -8.251 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.017 -8.450 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.090 -11.094 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.813 -10.830 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.037 -12.202 1.772 1.00 0.00 H new ATOM 478 N THR A 34 -2.576 -11.851 1.536 1.00 0.00 N ATOM 479 CA THR A 34 -3.314 -13.098 1.379 1.00 0.00 C ATOM 480 C THR A 34 -2.436 -14.184 0.767 1.00 0.00 C ATOM 481 O THR A 34 -1.629 -13.915 -0.123 1.00 0.00 O ATOM 482 CB THR A 34 -4.562 -12.904 0.496 1.00 0.00 C ATOM 483 OG1 THR A 34 -4.326 -11.870 -0.465 1.00 0.00 O ATOM 484 CG2 THR A 34 -5.774 -12.550 1.344 1.00 0.00 C ATOM 0 H THR A 34 -2.892 -11.094 0.929 1.00 0.00 H new ATOM 0 HA THR A 34 -3.627 -13.408 2.376 1.00 0.00 H new ATOM 0 HB THR A 34 -4.763 -13.841 -0.023 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.123 -11.754 -1.023 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.643 -12.418 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.968 -13.353 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.581 -11.625 1.887 1.00 0.00 H new ATOM 492 N ASP A 35 -2.599 -15.411 1.249 1.00 0.00 N ATOM 493 CA ASP A 35 -1.822 -16.538 0.748 1.00 0.00 C ATOM 494 C ASP A 35 -1.907 -16.623 -0.773 1.00 0.00 C ATOM 495 O ASP A 35 -0.957 -17.042 -1.436 1.00 0.00 O ATOM 496 CB ASP A 35 -2.318 -17.844 1.372 1.00 0.00 C ATOM 497 CG ASP A 35 -3.635 -18.306 0.780 1.00 0.00 C ATOM 498 OD1 ASP A 35 -4.603 -17.517 0.798 1.00 0.00 O ATOM 499 OD2 ASP A 35 -3.697 -19.456 0.298 1.00 0.00 O ATOM 0 H ASP A 35 -3.262 -15.650 1.986 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.780 -16.383 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.566 -18.620 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.434 -17.708 2.447 1.00 0.00 H new ATOM 504 N THR A 36 -3.051 -16.225 -1.321 1.00 0.00 N ATOM 505 CA THR A 36 -3.260 -16.258 -2.763 1.00 0.00 C ATOM 506 C THR A 36 -2.344 -15.268 -3.474 1.00 0.00 C ATOM 507 O THR A 36 -2.047 -15.424 -4.659 1.00 0.00 O ATOM 508 CB THR A 36 -4.723 -15.938 -3.125 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.944 -16.174 -4.520 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.060 -14.493 -2.790 1.00 0.00 C ATOM 0 H THR A 36 -3.847 -15.876 -0.787 1.00 0.00 H new ATOM 0 HA THR A 36 -3.024 -17.269 -3.094 1.00 0.00 H new ATOM 0 HB THR A 36 -5.371 -16.590 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.876 -15.970 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.098 -14.291 -3.054 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.918 -14.324 -1.723 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.406 -13.827 -3.353 1.00 0.00 H new ATOM 518 N CYS A 37 -1.899 -14.251 -2.744 1.00 0.00 N ATOM 519 CA CYS A 37 -1.016 -13.235 -3.306 1.00 0.00 C ATOM 520 C CYS A 37 0.157 -13.879 -4.038 1.00 0.00 C ATOM 521 O CYS A 37 0.657 -14.928 -3.631 1.00 0.00 O ATOM 522 CB CYS A 37 -0.499 -12.312 -2.203 1.00 0.00 C ATOM 523 SG CYS A 37 0.588 -10.993 -2.792 1.00 0.00 S ATOM 0 H CYS A 37 -2.135 -14.108 -1.762 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.590 -12.647 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.350 -11.864 -1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.039 -12.909 -1.467 1.00 0.00 H new ATOM 0 HG CYS A 37 1.515 -11.500 -3.550 1.00 0.00 H new ATOM 529 N THR A 38 0.591 -13.245 -5.123 1.00 0.00 N ATOM 530 CA THR A 38 1.703 -13.757 -5.914 1.00 0.00 C ATOM 531 C THR A 38 3.014 -13.088 -5.517 1.00 0.00 C ATOM 532 O THR A 38 3.016 -12.003 -4.935 1.00 0.00 O ATOM 533 CB THR A 38 1.466 -13.543 -7.421 1.00 0.00 C ATOM 534 OG1 THR A 38 0.802 -12.293 -7.640 1.00 0.00 O ATOM 535 CG2 THR A 38 0.632 -14.674 -8.004 1.00 0.00 C ATOM 0 H THR A 38 0.189 -12.376 -5.474 1.00 0.00 H new ATOM 0 HA THR A 38 1.768 -14.826 -5.712 1.00 0.00 H new ATOM 0 HB THR A 38 2.435 -13.532 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.656 -12.164 -8.600 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.478 -14.501 -9.069 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.153 -15.621 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.333 -14.712 -7.499 1.00 0.00 H new ATOM 543 N ILE A 39 4.126 -13.741 -5.836 1.00 0.00 N ATOM 544 CA ILE A 39 5.443 -13.207 -5.514 1.00 0.00 C ATOM 545 C ILE A 39 5.660 -11.846 -6.166 1.00 0.00 C ATOM 546 O ILE A 39 6.133 -10.909 -5.525 1.00 0.00 O ATOM 547 CB ILE A 39 6.564 -14.164 -5.965 1.00 0.00 C ATOM 548 CG1 ILE A 39 6.317 -15.569 -5.413 1.00 0.00 C ATOM 549 CG2 ILE A 39 7.919 -13.642 -5.512 1.00 0.00 C ATOM 550 CD1 ILE A 39 6.180 -15.612 -3.907 1.00 0.00 C ATOM 0 H ILE A 39 4.141 -14.640 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 39 5.482 -13.098 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 39 6.562 -14.216 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.411 -15.973 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.139 -16.218 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.701 -14.328 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.094 -12.659 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.934 -13.564 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.007 -16.639 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.095 -15.238 -3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.339 -14.990 -3.600 1.00 0.00 H new ATOM 562 N GLN A 40 5.308 -11.745 -7.444 1.00 0.00 N ATOM 563 CA GLN A 40 5.463 -10.498 -8.182 1.00 0.00 C ATOM 564 C GLN A 40 4.645 -9.381 -7.542 1.00 0.00 C ATOM 565 O GLN A 40 4.969 -8.202 -7.685 1.00 0.00 O ATOM 566 CB GLN A 40 5.037 -10.686 -9.639 1.00 0.00 C ATOM 567 CG GLN A 40 3.531 -10.779 -9.826 1.00 0.00 C ATOM 568 CD GLN A 40 3.070 -10.196 -11.147 1.00 0.00 C ATOM 569 OE1 GLN A 40 2.309 -10.825 -11.884 1.00 0.00 O ATOM 570 NE2 GLN A 40 3.528 -8.988 -11.454 1.00 0.00 N ATOM 0 H GLN A 40 4.914 -12.512 -7.989 1.00 0.00 H new ATOM 0 HA GLN A 40 6.516 -10.217 -8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.417 -9.853 -10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.500 -11.592 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.225 -11.824 -9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.034 -10.256 -9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.157 -8.503 -10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.251 -8.545 -12.330 1.00 0.00 H new ATOM 579 N GLN A 41 3.585 -9.761 -6.835 1.00 0.00 N ATOM 580 CA GLN A 41 2.721 -8.790 -6.174 1.00 0.00 C ATOM 581 C GLN A 41 3.401 -8.209 -4.939 1.00 0.00 C ATOM 582 O GLN A 41 3.336 -7.004 -4.690 1.00 0.00 O ATOM 583 CB GLN A 41 1.394 -9.442 -5.781 1.00 0.00 C ATOM 584 CG GLN A 41 0.306 -9.288 -6.831 1.00 0.00 C ATOM 585 CD GLN A 41 -1.088 -9.344 -6.240 1.00 0.00 C ATOM 586 OE1 GLN A 41 -1.652 -8.320 -5.851 1.00 0.00 O ATOM 587 NE2 GLN A 41 -1.654 -10.543 -6.168 1.00 0.00 N ATOM 0 H GLN A 41 3.304 -10.733 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 41 2.526 -7.978 -6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.561 -10.503 -5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.048 -9.005 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.439 -8.338 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.412 -10.076 -7.577 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.151 -11.365 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.592 -10.642 -5.779 1.00 0.00 H new ATOM 596 N LEU A 42 4.053 -9.072 -4.167 1.00 0.00 N ATOM 597 CA LEU A 42 4.745 -8.644 -2.957 1.00 0.00 C ATOM 598 C LEU A 42 5.910 -7.718 -3.294 1.00 0.00 C ATOM 599 O LEU A 42 6.114 -6.695 -2.640 1.00 0.00 O ATOM 600 CB LEU A 42 5.253 -9.859 -2.179 1.00 0.00 C ATOM 601 CG LEU A 42 5.923 -9.565 -0.836 1.00 0.00 C ATOM 602 CD1 LEU A 42 4.930 -8.935 0.128 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.510 -10.838 -0.243 1.00 0.00 C ATOM 0 H LEU A 42 4.117 -10.072 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 42 4.036 -8.095 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.412 -10.530 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.964 -10.396 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 42 6.735 -8.858 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.424 -8.733 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.556 -8.001 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.097 -9.619 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.983 -10.610 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.715 -11.568 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.253 -11.249 -0.927 1.00 0.00 H new ATOM 615 N LYS A 43 6.671 -8.084 -4.320 1.00 0.00 N ATOM 616 CA LYS A 43 7.814 -7.286 -4.748 1.00 0.00 C ATOM 617 C LYS A 43 7.458 -5.803 -4.786 1.00 0.00 C ATOM 618 O LYS A 43 8.188 -4.967 -4.255 1.00 0.00 O ATOM 619 CB LYS A 43 8.293 -7.742 -6.128 1.00 0.00 C ATOM 620 CG LYS A 43 8.625 -9.222 -6.197 1.00 0.00 C ATOM 621 CD LYS A 43 10.083 -9.483 -5.858 1.00 0.00 C ATOM 622 CE LYS A 43 10.360 -10.970 -5.693 1.00 0.00 C ATOM 623 NZ LYS A 43 11.758 -11.319 -6.070 1.00 0.00 N ATOM 0 H LYS A 43 6.517 -8.929 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 43 8.617 -7.431 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.521 -7.516 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.176 -7.167 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.986 -9.772 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.410 -9.598 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.719 -9.079 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.343 -8.959 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.180 -11.260 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.665 -11.540 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.748 -11.939 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.285 -10.450 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.218 -11.812 -5.278 1.00 0.00 H new ATOM 637 N GLU A 44 6.332 -5.485 -5.417 1.00 0.00 N ATOM 638 CA GLU A 44 5.881 -4.102 -5.523 1.00 0.00 C ATOM 639 C GLU A 44 5.628 -3.505 -4.142 1.00 0.00 C ATOM 640 O GLU A 44 5.751 -2.297 -3.946 1.00 0.00 O ATOM 641 CB GLU A 44 4.607 -4.022 -6.366 1.00 0.00 C ATOM 642 CG GLU A 44 4.759 -4.613 -7.758 1.00 0.00 C ATOM 643 CD GLU A 44 3.530 -4.400 -8.620 1.00 0.00 C ATOM 644 OE1 GLU A 44 2.821 -3.395 -8.403 1.00 0.00 O ATOM 645 OE2 GLU A 44 3.277 -5.237 -9.511 1.00 0.00 O ATOM 0 H GLU A 44 5.716 -6.165 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 44 6.668 -3.526 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.804 -4.543 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.305 -2.978 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.623 -4.164 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.959 -5.681 -7.675 1.00 0.00 H new ATOM 652 N GLU A 45 5.274 -4.362 -3.189 1.00 0.00 N ATOM 653 CA GLU A 45 5.003 -3.918 -1.826 1.00 0.00 C ATOM 654 C GLU A 45 6.302 -3.615 -1.084 1.00 0.00 C ATOM 655 O GLU A 45 6.493 -2.512 -0.572 1.00 0.00 O ATOM 656 CB GLU A 45 4.207 -4.982 -1.069 1.00 0.00 C ATOM 657 CG GLU A 45 2.843 -5.269 -1.676 1.00 0.00 C ATOM 658 CD GLU A 45 1.848 -4.152 -1.428 1.00 0.00 C ATOM 659 OE1 GLU A 45 1.180 -4.176 -0.374 1.00 0.00 O ATOM 660 OE2 GLU A 45 1.737 -3.254 -2.289 1.00 0.00 O ATOM 0 H GLU A 45 5.168 -5.366 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 45 4.413 -3.003 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.785 -5.906 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.075 -4.659 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.952 -5.422 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.452 -6.198 -1.260 1.00 0.00 H new ATOM 667 N ILE A 46 7.190 -4.602 -1.031 1.00 0.00 N ATOM 668 CA ILE A 46 8.470 -4.441 -0.352 1.00 0.00 C ATOM 669 C ILE A 46 9.360 -3.444 -1.087 1.00 0.00 C ATOM 670 O ILE A 46 10.382 -3.004 -0.561 1.00 0.00 O ATOM 671 CB ILE A 46 9.214 -5.783 -0.229 1.00 0.00 C ATOM 672 CG1 ILE A 46 8.979 -6.638 -1.476 1.00 0.00 C ATOM 673 CG2 ILE A 46 8.765 -6.525 1.021 1.00 0.00 C ATOM 674 CD1 ILE A 46 9.965 -7.776 -1.624 1.00 0.00 C ATOM 0 H ILE A 46 7.047 -5.521 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 46 8.253 -4.063 0.647 1.00 0.00 H new ATOM 0 HB ILE A 46 10.282 -5.583 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.969 -7.046 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.036 -6.001 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.300 -7.472 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.979 -5.918 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.694 -6.717 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.738 -8.339 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.976 -7.375 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.892 -8.435 -0.759 1.00 0.00 H new ATOM 686 N SER A 47 8.963 -3.091 -2.306 1.00 0.00 N ATOM 687 CA SER A 47 9.726 -2.147 -3.114 1.00 0.00 C ATOM 688 C SER A 47 9.824 -0.792 -2.420 1.00 0.00 C ATOM 689 O SER A 47 10.881 -0.163 -2.412 1.00 0.00 O ATOM 690 CB SER A 47 9.079 -1.983 -4.491 1.00 0.00 C ATOM 691 OG SER A 47 9.317 -0.688 -5.015 1.00 0.00 O ATOM 0 H SER A 47 8.118 -3.444 -2.755 1.00 0.00 H new ATOM 0 HA SER A 47 10.733 -2.544 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.476 -2.734 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.006 -2.156 -4.415 1.00 0.00 H new ATOM 0 HG SER A 47 8.895 -0.609 -5.896 1.00 0.00 H new ATOM 697 N GLN A 48 8.713 -0.350 -1.840 1.00 0.00 N ATOM 698 CA GLN A 48 8.672 0.931 -1.144 1.00 0.00 C ATOM 699 C GLN A 48 9.138 0.780 0.300 1.00 0.00 C ATOM 700 O GLN A 48 9.840 1.642 0.829 1.00 0.00 O ATOM 701 CB GLN A 48 7.257 1.509 -1.179 1.00 0.00 C ATOM 702 CG GLN A 48 6.253 0.711 -0.362 1.00 0.00 C ATOM 703 CD GLN A 48 4.833 0.868 -0.869 1.00 0.00 C ATOM 704 OE1 GLN A 48 4.414 1.962 -1.248 1.00 0.00 O ATOM 705 NE2 GLN A 48 4.083 -0.228 -0.877 1.00 0.00 N ATOM 0 H GLN A 48 7.829 -0.860 -1.838 1.00 0.00 H new ATOM 0 HA GLN A 48 9.349 1.616 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.283 2.533 -0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.917 1.554 -2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.528 -0.343 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.301 1.031 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.471 -1.114 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.119 -0.184 -1.206 1.00 0.00 H new ATOM 714 N ARG A 49 8.742 -0.320 0.933 1.00 0.00 N ATOM 715 CA ARG A 49 9.117 -0.582 2.317 1.00 0.00 C ATOM 716 C ARG A 49 10.634 -0.665 2.463 1.00 0.00 C ATOM 717 O ARG A 49 11.197 -0.224 3.465 1.00 0.00 O ATOM 718 CB ARG A 49 8.476 -1.883 2.804 1.00 0.00 C ATOM 719 CG ARG A 49 8.152 -1.883 4.289 1.00 0.00 C ATOM 720 CD ARG A 49 6.745 -1.369 4.553 1.00 0.00 C ATOM 721 NE ARG A 49 6.387 -1.456 5.966 1.00 0.00 N ATOM 722 CZ ARG A 49 5.178 -1.171 6.436 1.00 0.00 C ATOM 723 NH1 ARG A 49 4.216 -0.784 5.610 1.00 0.00 N ATOM 724 NH2 ARG A 49 4.929 -1.274 7.736 1.00 0.00 N ATOM 0 H ARG A 49 8.162 -1.044 0.509 1.00 0.00 H new ATOM 0 HA ARG A 49 8.755 0.245 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.560 -2.060 2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.149 -2.713 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.251 -2.894 4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.873 -1.261 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.670 -0.333 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.032 -1.944 3.962 1.00 0.00 H new ATOM 0 HE ARG A 49 7.104 -1.752 6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.403 -0.704 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.288 -0.566 5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.666 -1.572 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.000 -1.055 8.096 1.00 0.00 H new ATOM 738 N PHE A 50 11.290 -1.233 1.456 1.00 0.00 N ATOM 739 CA PHE A 50 12.741 -1.375 1.473 1.00 0.00 C ATOM 740 C PHE A 50 13.396 -0.373 0.526 1.00 0.00 C ATOM 741 O PHE A 50 14.612 -0.181 0.551 1.00 0.00 O ATOM 742 CB PHE A 50 13.139 -2.800 1.082 1.00 0.00 C ATOM 743 CG PHE A 50 12.954 -3.799 2.187 1.00 0.00 C ATOM 744 CD1 PHE A 50 13.940 -3.985 3.143 1.00 0.00 C ATOM 745 CD2 PHE A 50 11.795 -4.553 2.271 1.00 0.00 C ATOM 746 CE1 PHE A 50 13.773 -4.903 4.163 1.00 0.00 C ATOM 747 CE2 PHE A 50 11.622 -5.473 3.288 1.00 0.00 C ATOM 748 CZ PHE A 50 12.613 -5.649 4.234 1.00 0.00 C ATOM 0 H PHE A 50 10.840 -1.602 0.619 1.00 0.00 H new ATOM 0 HA PHE A 50 13.090 -1.173 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.548 -3.110 0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.184 -2.804 0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.850 -3.406 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.017 -4.420 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.548 -5.037 4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.713 -6.054 3.343 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.481 -6.369 5.028 1.00 0.00 H new ATOM 758 N LYS A 51 12.581 0.262 -0.309 1.00 0.00 N ATOM 759 CA LYS A 51 13.079 1.245 -1.264 1.00 0.00 C ATOM 760 C LYS A 51 13.965 0.583 -2.314 1.00 0.00 C ATOM 761 O LYS A 51 15.072 1.046 -2.588 1.00 0.00 O ATOM 762 CB LYS A 51 13.862 2.341 -0.538 1.00 0.00 C ATOM 763 CG LYS A 51 13.080 3.009 0.579 1.00 0.00 C ATOM 764 CD LYS A 51 11.927 3.836 0.035 1.00 0.00 C ATOM 765 CE LYS A 51 11.529 4.941 1.001 1.00 0.00 C ATOM 766 NZ LYS A 51 12.544 6.030 1.047 1.00 0.00 N ATOM 0 H LYS A 51 11.572 0.114 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 51 12.222 1.692 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.774 1.911 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.166 3.098 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.695 2.250 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.746 3.648 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.211 4.273 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.070 3.189 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.566 5.355 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.400 4.522 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.123 6.879 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.358 5.722 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.860 6.251 0.081 1.00 0.00 H new ATOM 780 N ALA A 52 13.471 -0.503 -2.900 1.00 0.00 N ATOM 781 CA ALA A 52 14.217 -1.226 -3.922 1.00 0.00 C ATOM 782 C ALA A 52 13.290 -1.738 -5.019 1.00 0.00 C ATOM 783 O ALA A 52 12.317 -2.442 -4.746 1.00 0.00 O ATOM 784 CB ALA A 52 14.986 -2.381 -3.297 1.00 0.00 C ATOM 0 H ALA A 52 12.557 -0.901 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 52 14.927 -0.534 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.538 -2.912 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.684 -1.994 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.287 -3.065 -2.816 1.00 0.00 H new ATOM 790 N HIS A 53 13.597 -1.380 -6.262 1.00 0.00 N ATOM 791 CA HIS A 53 12.790 -1.804 -7.401 1.00 0.00 C ATOM 792 C HIS A 53 12.506 -3.302 -7.339 1.00 0.00 C ATOM 793 O HIS A 53 13.361 -4.105 -6.965 1.00 0.00 O ATOM 794 CB HIS A 53 13.499 -1.461 -8.711 1.00 0.00 C ATOM 795 CG HIS A 53 12.562 -1.147 -9.836 1.00 0.00 C ATOM 796 ND1 HIS A 53 12.120 -2.096 -10.735 1.00 0.00 N ATOM 797 CD2 HIS A 53 11.979 0.018 -10.205 1.00 0.00 C ATOM 798 CE1 HIS A 53 11.309 -1.527 -11.608 1.00 0.00 C ATOM 799 NE2 HIS A 53 11.206 -0.245 -11.309 1.00 0.00 N ATOM 0 H HIS A 53 14.398 -0.798 -6.506 1.00 0.00 H new ATOM 0 HA HIS A 53 11.840 -1.271 -7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.155 -0.606 -8.546 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.134 -2.298 -9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.100 0.976 -9.721 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.814 -2.026 -12.428 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.644 0.439 -11.816 1.00 0.00 H new ATOM 808 N PRO A 54 11.278 -3.688 -7.714 1.00 0.00 N ATOM 809 CA PRO A 54 10.854 -5.091 -7.709 1.00 0.00 C ATOM 810 C PRO A 54 11.548 -5.910 -8.792 1.00 0.00 C ATOM 811 O PRO A 54 11.332 -7.117 -8.905 1.00 0.00 O ATOM 812 CB PRO A 54 9.350 -5.008 -7.984 1.00 0.00 C ATOM 813 CG PRO A 54 9.169 -3.725 -8.718 1.00 0.00 C ATOM 814 CD PRO A 54 10.209 -2.785 -8.172 1.00 0.00 C ATOM 0 HA PRO A 54 11.104 -5.589 -6.772 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.009 -5.856 -8.578 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.777 -5.018 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.297 -3.868 -9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.166 -3.327 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.566 -2.094 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.815 -2.181 -7.354 1.00 0.00 H new ATOM 822 N ASP A 55 12.383 -5.248 -9.585 1.00 0.00 N ATOM 823 CA ASP A 55 13.111 -5.915 -10.658 1.00 0.00 C ATOM 824 C ASP A 55 14.459 -6.428 -10.162 1.00 0.00 C ATOM 825 O ASP A 55 15.217 -7.038 -10.917 1.00 0.00 O ATOM 826 CB ASP A 55 13.316 -4.960 -11.835 1.00 0.00 C ATOM 827 CG ASP A 55 12.011 -4.584 -12.509 1.00 0.00 C ATOM 828 OD1 ASP A 55 10.977 -4.532 -11.812 1.00 0.00 O ATOM 829 OD2 ASP A 55 12.024 -4.344 -13.735 1.00 0.00 O ATOM 0 H ASP A 55 12.573 -4.249 -9.505 1.00 0.00 H new ATOM 0 HA ASP A 55 12.518 -6.767 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.814 -4.056 -11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.978 -5.425 -12.565 1.00 0.00 H new ATOM 834 N GLN A 56 14.752 -6.176 -8.891 1.00 0.00 N ATOM 835 CA GLN A 56 16.010 -6.612 -8.296 1.00 0.00 C ATOM 836 C GLN A 56 15.759 -7.485 -7.070 1.00 0.00 C ATOM 837 O GLN A 56 16.536 -8.393 -6.773 1.00 0.00 O ATOM 838 CB GLN A 56 16.861 -5.401 -7.909 1.00 0.00 C ATOM 839 CG GLN A 56 16.043 -4.193 -7.483 1.00 0.00 C ATOM 840 CD GLN A 56 16.892 -2.953 -7.286 1.00 0.00 C ATOM 841 OE1 GLN A 56 17.396 -2.372 -8.247 1.00 0.00 O ATOM 842 NE2 GLN A 56 17.055 -2.539 -6.034 1.00 0.00 N ATOM 0 H GLN A 56 14.136 -5.672 -8.253 1.00 0.00 H new ATOM 0 HA GLN A 56 16.548 -7.204 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 56 17.529 -5.682 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.489 -5.124 -8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.281 -3.991 -8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.520 -4.422 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.619 -3.051 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.616 -1.709 -5.840 1.00 0.00 H new ATOM 851 N LEU A 57 14.671 -7.204 -6.363 1.00 0.00 N ATOM 852 CA LEU A 57 14.318 -7.963 -5.168 1.00 0.00 C ATOM 853 C LEU A 57 14.309 -9.461 -5.458 1.00 0.00 C ATOM 854 O LEU A 57 13.771 -9.904 -6.473 1.00 0.00 O ATOM 855 CB LEU A 57 12.948 -7.525 -4.648 1.00 0.00 C ATOM 856 CG LEU A 57 12.746 -6.019 -4.476 1.00 0.00 C ATOM 857 CD1 LEU A 57 11.440 -5.735 -3.749 1.00 0.00 C ATOM 858 CD2 LEU A 57 13.919 -5.405 -3.727 1.00 0.00 C ATOM 0 H LEU A 57 14.018 -6.456 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 57 15.070 -7.763 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.186 -7.898 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.776 -8.007 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 57 12.694 -5.564 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.313 -4.658 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.608 -6.140 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.462 -6.203 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.758 -4.333 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.003 -5.865 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.838 -5.576 -4.287 1.00 0.00 H new ATOM 870 N VAL A 58 14.907 -10.236 -4.559 1.00 0.00 N ATOM 871 CA VAL A 58 14.965 -11.684 -4.716 1.00 0.00 C ATOM 872 C VAL A 58 14.469 -12.394 -3.461 1.00 0.00 C ATOM 873 O VAL A 58 15.052 -12.254 -2.385 1.00 0.00 O ATOM 874 CB VAL A 58 16.397 -12.158 -5.029 1.00 0.00 C ATOM 875 CG1 VAL A 58 16.442 -13.673 -5.159 1.00 0.00 C ATOM 876 CG2 VAL A 58 16.914 -11.491 -6.295 1.00 0.00 C ATOM 0 H VAL A 58 15.358 -9.885 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 58 14.315 -11.937 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 58 17.045 -11.869 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.461 -13.989 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.116 -14.128 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.781 -13.989 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.927 -11.837 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.265 -11.748 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.921 -10.409 -6.160 1.00 0.00 H new ATOM 886 N LEU A 59 13.391 -13.156 -3.606 1.00 0.00 N ATOM 887 CA LEU A 59 12.816 -13.889 -2.483 1.00 0.00 C ATOM 888 C LEU A 59 13.328 -15.325 -2.452 1.00 0.00 C ATOM 889 O LEU A 59 13.321 -16.020 -3.468 1.00 0.00 O ATOM 890 CB LEU A 59 11.289 -13.882 -2.573 1.00 0.00 C ATOM 891 CG LEU A 59 10.606 -12.544 -2.288 1.00 0.00 C ATOM 892 CD1 LEU A 59 9.118 -12.628 -2.592 1.00 0.00 C ATOM 893 CD2 LEU A 59 10.835 -12.125 -0.843 1.00 0.00 C ATOM 0 H LEU A 59 12.897 -13.283 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 59 13.122 -13.393 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.002 -14.208 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.900 -14.622 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 59 11.046 -11.788 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.649 -11.666 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.975 -12.881 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.662 -13.397 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.342 -11.171 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.423 -12.882 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.904 -12.022 -0.659 1.00 0.00 H new ATOM 905 N ILE A 60 13.770 -15.764 -1.278 1.00 0.00 N ATOM 906 CA ILE A 60 14.283 -17.119 -1.114 1.00 0.00 C ATOM 907 C ILE A 60 13.613 -17.821 0.063 1.00 0.00 C ATOM 908 O ILE A 60 13.766 -17.411 1.214 1.00 0.00 O ATOM 909 CB ILE A 60 15.808 -17.122 -0.898 1.00 0.00 C ATOM 910 CG1 ILE A 60 16.522 -16.598 -2.145 1.00 0.00 C ATOM 911 CG2 ILE A 60 16.291 -18.522 -0.552 1.00 0.00 C ATOM 912 CD1 ILE A 60 17.830 -15.900 -1.845 1.00 0.00 C ATOM 0 H ILE A 60 13.783 -15.202 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 60 14.054 -17.657 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 60 16.044 -16.462 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.711 -17.431 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 60 15.862 -15.906 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.371 -18.508 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.802 -18.860 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.047 -19.203 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 60 18.280 -15.555 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 60 17.646 -15.046 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 60 18.508 -16.595 -1.350 1.00 0.00 H new ATOM 924 N PHE A 61 12.871 -18.883 -0.234 1.00 0.00 N ATOM 925 CA PHE A 61 12.178 -19.644 0.800 1.00 0.00 C ATOM 926 C PHE A 61 12.294 -21.143 0.541 1.00 0.00 C ATOM 927 O PHE A 61 12.071 -21.610 -0.576 1.00 0.00 O ATOM 928 CB PHE A 61 10.704 -19.238 0.860 1.00 0.00 C ATOM 929 CG PHE A 61 9.940 -19.915 1.961 1.00 0.00 C ATOM 930 CD1 PHE A 61 9.470 -21.209 1.802 1.00 0.00 C ATOM 931 CD2 PHE A 61 9.690 -19.258 3.155 1.00 0.00 C ATOM 932 CE1 PHE A 61 8.767 -21.835 2.814 1.00 0.00 C ATOM 933 CE2 PHE A 61 8.988 -19.879 4.170 1.00 0.00 C ATOM 934 CZ PHE A 61 8.525 -21.169 3.999 1.00 0.00 C ATOM 0 H PHE A 61 12.734 -19.236 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 61 12.648 -19.421 1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.638 -18.158 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.232 -19.470 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.655 -21.734 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.048 -18.249 3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.407 -22.844 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.801 -19.356 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.975 -21.656 4.791 1.00 0.00 H new ATOM 944 N ALA A 62 12.644 -21.892 1.581 1.00 0.00 N ATOM 945 CA ALA A 62 12.788 -23.338 1.468 1.00 0.00 C ATOM 946 C ALA A 62 13.974 -23.704 0.582 1.00 0.00 C ATOM 947 O ALA A 62 13.991 -24.763 -0.044 1.00 0.00 O ATOM 948 CB ALA A 62 11.509 -23.955 0.922 1.00 0.00 C ATOM 0 H ALA A 62 12.833 -21.521 2.512 1.00 0.00 H new ATOM 0 HA ALA A 62 12.975 -23.738 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.631 -25.035 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.681 -23.732 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.297 -23.541 -0.064 1.00 0.00 H new ATOM 954 N GLY A 63 14.966 -22.819 0.533 1.00 0.00 N ATOM 955 CA GLY A 63 16.142 -23.067 -0.280 1.00 0.00 C ATOM 956 C GLY A 63 15.846 -22.995 -1.765 1.00 0.00 C ATOM 957 O GLY A 63 16.554 -23.589 -2.577 1.00 0.00 O ATOM 0 H GLY A 63 14.976 -21.935 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.913 -22.338 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.545 -24.051 -0.040 1.00 0.00 H new ATOM 961 N LYS A 64 14.794 -22.265 -2.122 1.00 0.00 N ATOM 962 CA LYS A 64 14.404 -22.117 -3.519 1.00 0.00 C ATOM 963 C LYS A 64 13.841 -20.723 -3.782 1.00 0.00 C ATOM 964 O LYS A 64 13.170 -20.144 -2.928 1.00 0.00 O ATOM 965 CB LYS A 64 13.367 -23.177 -3.896 1.00 0.00 C ATOM 966 CG LYS A 64 12.098 -23.109 -3.063 1.00 0.00 C ATOM 967 CD LYS A 64 10.987 -23.949 -3.671 1.00 0.00 C ATOM 968 CE LYS A 64 9.667 -23.734 -2.947 1.00 0.00 C ATOM 969 NZ LYS A 64 9.024 -22.448 -3.336 1.00 0.00 N ATOM 0 H LYS A 64 14.196 -21.767 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 64 15.293 -22.253 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.108 -23.062 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.813 -24.165 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.307 -23.457 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.770 -22.073 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.871 -23.694 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.260 -25.003 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.992 -24.560 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.837 -23.744 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.359 -22.154 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.754 -21.717 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.509 -22.574 -4.231 1.00 0.00 H new ATOM 983 N ILE A 65 14.118 -20.192 -4.968 1.00 0.00 N ATOM 984 CA ILE A 65 13.637 -18.869 -5.343 1.00 0.00 C ATOM 985 C ILE A 65 12.163 -18.910 -5.733 1.00 0.00 C ATOM 986 O ILE A 65 11.791 -19.530 -6.730 1.00 0.00 O ATOM 987 CB ILE A 65 14.450 -18.285 -6.513 1.00 0.00 C ATOM 988 CG1 ILE A 65 15.899 -18.041 -6.084 1.00 0.00 C ATOM 989 CG2 ILE A 65 13.814 -16.994 -7.008 1.00 0.00 C ATOM 990 CD1 ILE A 65 16.051 -16.922 -5.078 1.00 0.00 C ATOM 0 H ILE A 65 14.673 -20.658 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 65 13.762 -18.229 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 65 14.449 -19.005 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.303 -18.959 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.496 -17.810 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.400 -16.593 -7.835 1.00 0.00 H new ATOM 0 HG22 ILE A 65 12.798 -17.196 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.788 -16.267 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.104 -16.805 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.678 -15.993 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.481 -17.160 -4.180 1.00 0.00 H new ATOM 1002 N LEU A 66 11.329 -18.244 -4.943 1.00 0.00 N ATOM 1003 CA LEU A 66 9.895 -18.202 -5.206 1.00 0.00 C ATOM 1004 C LEU A 66 9.616 -17.743 -6.633 1.00 0.00 C ATOM 1005 O LEU A 66 10.336 -16.906 -7.179 1.00 0.00 O ATOM 1006 CB LEU A 66 9.201 -17.268 -4.213 1.00 0.00 C ATOM 1007 CG LEU A 66 9.547 -17.479 -2.739 1.00 0.00 C ATOM 1008 CD1 LEU A 66 8.644 -16.636 -1.852 1.00 0.00 C ATOM 1009 CD2 LEU A 66 9.437 -18.951 -2.370 1.00 0.00 C ATOM 0 H LEU A 66 11.621 -17.725 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 66 9.499 -19.210 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.446 -16.240 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.123 -17.380 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 66 10.577 -17.161 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.905 -16.800 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.774 -15.582 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.605 -16.921 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.687 -19.082 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.418 -19.295 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.127 -19.532 -2.982 1.00 0.00 H new ATOM 1021 N LYS A 67 8.567 -18.294 -7.233 1.00 0.00 N ATOM 1022 CA LYS A 67 8.190 -17.939 -8.596 1.00 0.00 C ATOM 1023 C LYS A 67 7.037 -16.939 -8.599 1.00 0.00 C ATOM 1024 O LYS A 67 6.254 -16.878 -7.652 1.00 0.00 O ATOM 1025 CB LYS A 67 7.794 -19.192 -9.380 1.00 0.00 C ATOM 1026 CG LYS A 67 8.950 -20.146 -9.627 1.00 0.00 C ATOM 1027 CD LYS A 67 9.948 -19.568 -10.616 1.00 0.00 C ATOM 1028 CE LYS A 67 11.359 -20.060 -10.336 1.00 0.00 C ATOM 1029 NZ LYS A 67 11.661 -21.323 -11.064 1.00 0.00 N ATOM 0 H LYS A 67 7.962 -18.989 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 67 9.052 -17.475 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.010 -19.718 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.370 -18.892 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.453 -20.361 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.567 -21.093 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.659 -19.845 -11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.924 -18.479 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.076 -19.292 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.482 -20.220 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.632 -21.625 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.993 -22.063 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.569 -21.164 -12.088 1.00 0.00 H new ATOM 1043 N ASP A 68 6.940 -16.159 -9.670 1.00 0.00 N ATOM 1044 CA ASP A 68 5.882 -15.164 -9.797 1.00 0.00 C ATOM 1045 C ASP A 68 4.508 -15.827 -9.786 1.00 0.00 C ATOM 1046 O ASP A 68 3.640 -15.499 -8.977 1.00 0.00 O ATOM 1047 CB ASP A 68 6.062 -14.358 -11.084 1.00 0.00 C ATOM 1048 CG ASP A 68 4.742 -13.891 -11.665 1.00 0.00 C ATOM 1049 OD1 ASP A 68 3.806 -13.637 -10.880 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.645 -13.782 -12.906 1.00 0.00 O ATOM 0 H ASP A 68 7.581 -16.197 -10.462 1.00 0.00 H new ATOM 0 HA ASP A 68 5.947 -14.490 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.693 -13.492 -10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.584 -14.968 -11.821 1.00 0.00 H new ATOM 1055 N PRO A 69 4.304 -16.782 -10.706 1.00 0.00 N ATOM 1056 CA PRO A 69 3.037 -17.511 -10.823 1.00 0.00 C ATOM 1057 C PRO A 69 2.801 -18.454 -9.648 1.00 0.00 C ATOM 1058 O PRO A 69 1.825 -19.204 -9.629 1.00 0.00 O ATOM 1059 CB PRO A 69 3.203 -18.304 -12.121 1.00 0.00 C ATOM 1060 CG PRO A 69 4.676 -18.466 -12.280 1.00 0.00 C ATOM 1061 CD PRO A 69 5.294 -17.224 -11.702 1.00 0.00 C ATOM 0 HA PRO A 69 2.178 -16.840 -10.825 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.703 -19.270 -12.061 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.769 -17.772 -12.968 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.029 -19.356 -11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.945 -18.583 -13.330 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.260 -17.432 -11.243 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.461 -16.465 -12.466 1.00 0.00 H new ATOM 1069 N ASP A 70 3.700 -18.412 -8.671 1.00 0.00 N ATOM 1070 CA ASP A 70 3.588 -19.262 -7.492 1.00 0.00 C ATOM 1071 C ASP A 70 3.145 -18.451 -6.277 1.00 0.00 C ATOM 1072 O ASP A 70 3.907 -17.643 -5.747 1.00 0.00 O ATOM 1073 CB ASP A 70 4.923 -19.949 -7.203 1.00 0.00 C ATOM 1074 CG ASP A 70 5.224 -21.066 -8.183 1.00 0.00 C ATOM 1075 OD1 ASP A 70 5.052 -20.849 -9.400 1.00 0.00 O ATOM 1076 OD2 ASP A 70 5.630 -22.158 -7.732 1.00 0.00 O ATOM 0 H ASP A 70 4.515 -17.798 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 70 2.834 -20.022 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.724 -19.211 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.909 -20.352 -6.190 1.00 0.00 H new ATOM 1081 N SER A 71 1.909 -18.673 -5.842 1.00 0.00 N ATOM 1082 CA SER A 71 1.363 -17.960 -4.693 1.00 0.00 C ATOM 1083 C SER A 71 2.104 -18.342 -3.415 1.00 0.00 C ATOM 1084 O SER A 71 2.761 -19.382 -3.351 1.00 0.00 O ATOM 1085 CB SER A 71 -0.129 -18.261 -4.541 1.00 0.00 C ATOM 1086 OG SER A 71 -0.382 -19.652 -4.647 1.00 0.00 O ATOM 0 H SER A 71 1.267 -19.341 -6.268 1.00 0.00 H new ATOM 0 HA SER A 71 1.495 -16.891 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.480 -17.897 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.691 -17.727 -5.307 1.00 0.00 H new ATOM 0 HG SER A 71 -1.342 -19.819 -4.545 1.00 0.00 H new ATOM 1092 N LEU A 72 1.994 -17.493 -2.400 1.00 0.00 N ATOM 1093 CA LEU A 72 2.652 -17.739 -1.121 1.00 0.00 C ATOM 1094 C LEU A 72 2.351 -19.146 -0.616 1.00 0.00 C ATOM 1095 O LEU A 72 3.220 -19.815 -0.058 1.00 0.00 O ATOM 1096 CB LEU A 72 2.203 -16.706 -0.086 1.00 0.00 C ATOM 1097 CG LEU A 72 1.825 -15.329 -0.633 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.594 -14.348 0.506 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.903 -14.814 -1.574 1.00 0.00 C ATOM 0 H LEU A 72 1.455 -16.628 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 72 3.728 -17.649 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.345 -17.109 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.004 -16.578 0.642 1.00 0.00 H new ATOM 0 HG LEU A 72 0.897 -15.425 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.326 -13.373 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.785 -14.711 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.505 -14.256 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.617 -13.833 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.847 -14.733 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.019 -15.506 -2.408 1.00 0.00 H new ATOM 1111 N ALA A 73 1.114 -19.590 -0.817 1.00 0.00 N ATOM 1112 CA ALA A 73 0.699 -20.919 -0.386 1.00 0.00 C ATOM 1113 C ALA A 73 1.358 -22.002 -1.234 1.00 0.00 C ATOM 1114 O ALA A 73 1.628 -23.101 -0.752 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.815 -21.045 -0.449 1.00 0.00 C ATOM 0 H ALA A 73 0.382 -19.048 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 73 1.021 -21.056 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.111 -22.043 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.270 -20.301 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.151 -20.882 -1.473 1.00 0.00 H new ATOM 1121 N GLN A 74 1.614 -21.683 -2.498 1.00 0.00 N ATOM 1122 CA GLN A 74 2.240 -22.630 -3.413 1.00 0.00 C ATOM 1123 C GLN A 74 3.748 -22.688 -3.189 1.00 0.00 C ATOM 1124 O GLN A 74 4.400 -23.672 -3.540 1.00 0.00 O ATOM 1125 CB GLN A 74 1.942 -22.245 -4.863 1.00 0.00 C ATOM 1126 CG GLN A 74 0.608 -22.769 -5.370 1.00 0.00 C ATOM 1127 CD GLN A 74 0.626 -23.069 -6.856 1.00 0.00 C ATOM 1128 OE1 GLN A 74 1.365 -22.268 -7.614 1.00 0.00 O flip ATOM 1129 NE2 GLN A 74 -0.017 -24.012 -7.318 1.00 0.00 N flip ATOM 0 H GLN A 74 1.398 -20.776 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 74 1.823 -23.617 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 74 1.953 -21.159 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.739 -22.625 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.346 -23.675 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.170 -22.035 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.572 -24.603 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.005 -24.202 -8.320 1.00 0.00 H new ATOM 1138 N CYS A 75 4.295 -21.628 -2.604 1.00 0.00 N ATOM 1139 CA CYS A 75 5.726 -21.557 -2.335 1.00 0.00 C ATOM 1140 C CYS A 75 6.060 -22.206 -0.995 1.00 0.00 C ATOM 1141 O CYS A 75 7.190 -22.637 -0.767 1.00 0.00 O ATOM 1142 CB CYS A 75 6.197 -20.102 -2.341 1.00 0.00 C ATOM 1143 SG CYS A 75 6.339 -19.380 -3.992 1.00 0.00 S ATOM 0 H CYS A 75 3.769 -20.806 -2.307 1.00 0.00 H new ATOM 0 HA CYS A 75 6.246 -22.102 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 75 5.501 -19.504 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.166 -20.043 -1.846 1.00 0.00 H new ATOM 0 HG CYS A 75 5.223 -18.792 -4.306 1.00 0.00 H new ATOM 1149 N GLY A 76 5.069 -22.271 -0.111 1.00 0.00 N ATOM 1150 CA GLY A 76 5.278 -22.867 1.195 1.00 0.00 C ATOM 1151 C GLY A 76 5.185 -21.852 2.317 1.00 0.00 C ATOM 1152 O GLY A 76 5.519 -22.151 3.464 1.00 0.00 O ATOM 0 H GLY A 76 4.125 -21.921 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.538 -23.651 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.258 -23.344 1.221 1.00 0.00 H new ATOM 1156 N VAL A 77 4.731 -20.648 1.987 1.00 0.00 N ATOM 1157 CA VAL A 77 4.595 -19.584 2.975 1.00 0.00 C ATOM 1158 C VAL A 77 3.262 -19.683 3.709 1.00 0.00 C ATOM 1159 O VAL A 77 2.256 -20.100 3.135 1.00 0.00 O ATOM 1160 CB VAL A 77 4.708 -18.194 2.323 1.00 0.00 C ATOM 1161 CG1 VAL A 77 4.445 -17.100 3.347 1.00 0.00 C ATOM 1162 CG2 VAL A 77 6.076 -18.017 1.681 1.00 0.00 C ATOM 0 H VAL A 77 4.451 -20.384 1.042 1.00 0.00 H new ATOM 0 HA VAL A 77 5.410 -19.709 3.688 1.00 0.00 H new ATOM 0 HB VAL A 77 3.952 -18.116 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.529 -16.125 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.441 -17.218 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.176 -17.172 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.139 -17.029 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.850 -18.115 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.220 -18.780 0.916 1.00 0.00 H new ATOM 1172 N ARG A 78 3.263 -19.295 4.980 1.00 0.00 N ATOM 1173 CA ARG A 78 2.053 -19.341 5.793 1.00 0.00 C ATOM 1174 C ARG A 78 1.966 -18.121 6.705 1.00 0.00 C ATOM 1175 O ARG A 78 2.796 -17.215 6.629 1.00 0.00 O ATOM 1176 CB ARG A 78 2.023 -20.620 6.630 1.00 0.00 C ATOM 1177 CG ARG A 78 2.474 -21.857 5.870 1.00 0.00 C ATOM 1178 CD ARG A 78 1.452 -22.271 4.824 1.00 0.00 C ATOM 1179 NE ARG A 78 0.400 -23.112 5.389 1.00 0.00 N ATOM 1180 CZ ARG A 78 -0.724 -22.633 5.910 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -0.942 -21.325 5.936 1.00 0.00 N ATOM 1182 NH2 ARG A 78 -1.634 -23.462 6.406 1.00 0.00 N ATOM 0 H ARG A 78 4.087 -18.946 5.469 1.00 0.00 H new ATOM 0 HA ARG A 78 1.194 -19.335 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.662 -20.488 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.009 -20.780 6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.431 -21.660 5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.633 -22.677 6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.006 -21.381 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.954 -22.809 4.020 1.00 0.00 H new ATOM 0 HE ARG A 78 0.536 -24.123 5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.246 -20.684 5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.806 -20.960 6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.471 -24.469 6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.497 -23.092 6.806 1.00 0.00 H new ATOM 1196 N ASP A 79 0.955 -18.105 7.567 1.00 0.00 N ATOM 1197 CA ASP A 79 0.759 -16.997 8.495 1.00 0.00 C ATOM 1198 C ASP A 79 1.752 -17.073 9.650 1.00 0.00 C ATOM 1199 O ASP A 79 1.588 -17.870 10.572 1.00 0.00 O ATOM 1200 CB ASP A 79 -0.672 -17.003 9.035 1.00 0.00 C ATOM 1201 CG ASP A 79 -1.025 -15.717 9.756 1.00 0.00 C ATOM 1202 OD1 ASP A 79 -0.120 -15.113 10.369 1.00 0.00 O ATOM 1203 OD2 ASP A 79 -2.206 -15.313 9.706 1.00 0.00 O ATOM 0 H ASP A 79 0.259 -18.847 7.642 1.00 0.00 H new ATOM 0 HA ASP A 79 0.931 -16.067 7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.368 -17.156 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.796 -17.844 9.717 1.00 0.00 H new ATOM 1208 N GLY A 80 2.785 -16.237 9.592 1.00 0.00 N ATOM 1209 CA GLY A 80 3.791 -16.227 10.638 1.00 0.00 C ATOM 1210 C GLY A 80 5.117 -16.795 10.173 1.00 0.00 C ATOM 1211 O GLY A 80 5.998 -17.079 10.985 1.00 0.00 O ATOM 0 H GLY A 80 2.943 -15.567 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.939 -15.205 10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.431 -16.804 11.490 1.00 0.00 H new ATOM 1215 N LEU A 81 5.260 -16.962 8.863 1.00 0.00 N ATOM 1216 CA LEU A 81 6.489 -17.501 8.290 1.00 0.00 C ATOM 1217 C LEU A 81 7.456 -16.380 7.923 1.00 0.00 C ATOM 1218 O LEU A 81 7.086 -15.206 7.906 1.00 0.00 O ATOM 1219 CB LEU A 81 6.172 -18.343 7.053 1.00 0.00 C ATOM 1220 CG LEU A 81 5.394 -19.636 7.302 1.00 0.00 C ATOM 1221 CD1 LEU A 81 5.774 -20.693 6.277 1.00 0.00 C ATOM 1222 CD2 LEU A 81 5.645 -20.145 8.714 1.00 0.00 C ATOM 0 H LEU A 81 4.541 -16.732 8.177 1.00 0.00 H new ATOM 0 HA LEU A 81 6.964 -18.134 9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.602 -17.728 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.111 -18.597 6.560 1.00 0.00 H new ATOM 0 HG LEU A 81 4.330 -19.424 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.211 -21.606 6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.543 -20.329 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.841 -20.903 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.084 -21.066 8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.709 -20.341 8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.322 -19.393 9.434 1.00 0.00 H new ATOM 1234 N THR A 82 8.698 -16.751 7.626 1.00 0.00 N ATOM 1235 CA THR A 82 9.718 -15.778 7.257 1.00 0.00 C ATOM 1236 C THR A 82 10.325 -16.105 5.897 1.00 0.00 C ATOM 1237 O THR A 82 10.340 -17.262 5.475 1.00 0.00 O ATOM 1238 CB THR A 82 10.844 -15.718 8.307 1.00 0.00 C ATOM 1239 OG1 THR A 82 10.283 -15.605 9.620 1.00 0.00 O ATOM 1240 CG2 THR A 82 11.770 -14.541 8.042 1.00 0.00 C ATOM 0 H THR A 82 9.021 -17.718 7.634 1.00 0.00 H new ATOM 0 HA THR A 82 9.224 -14.807 7.208 1.00 0.00 H new ATOM 0 HB THR A 82 11.425 -16.638 8.238 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.005 -15.569 10.282 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.557 -14.520 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.218 -14.646 7.054 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.200 -13.613 8.086 1.00 0.00 H new ATOM 1248 N VAL A 83 10.825 -15.080 5.215 1.00 0.00 N ATOM 1249 CA VAL A 83 11.434 -15.259 3.903 1.00 0.00 C ATOM 1250 C VAL A 83 12.674 -14.386 3.749 1.00 0.00 C ATOM 1251 O VAL A 83 12.594 -13.159 3.810 1.00 0.00 O ATOM 1252 CB VAL A 83 10.442 -14.927 2.773 1.00 0.00 C ATOM 1253 CG1 VAL A 83 11.062 -15.218 1.414 1.00 0.00 C ATOM 1254 CG2 VAL A 83 9.147 -15.704 2.955 1.00 0.00 C ATOM 0 H VAL A 83 10.820 -14.116 5.550 1.00 0.00 H new ATOM 0 HA VAL A 83 11.720 -16.308 3.828 1.00 0.00 H new ATOM 0 HB VAL A 83 10.210 -13.863 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.346 -14.977 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.959 -14.612 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.326 -16.274 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.458 -15.457 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.359 -16.773 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.695 -15.440 3.911 1.00 0.00 H new ATOM 1264 N HIS A 84 13.822 -15.027 3.548 1.00 0.00 N ATOM 1265 CA HIS A 84 15.080 -14.308 3.384 1.00 0.00 C ATOM 1266 C HIS A 84 15.135 -13.611 2.028 1.00 0.00 C ATOM 1267 O HIS A 84 15.355 -14.251 0.998 1.00 0.00 O ATOM 1268 CB HIS A 84 16.262 -15.267 3.526 1.00 0.00 C ATOM 1269 CG HIS A 84 16.351 -15.913 4.875 1.00 0.00 C ATOM 1270 ND1 HIS A 84 17.234 -15.499 5.850 1.00 0.00 N ATOM 1271 CD2 HIS A 84 15.660 -16.947 5.409 1.00 0.00 C ATOM 1272 CE1 HIS A 84 17.083 -16.252 6.925 1.00 0.00 C ATOM 1273 NE2 HIS A 84 16.134 -17.138 6.683 1.00 0.00 N ATOM 0 H HIS A 84 13.906 -16.042 3.495 1.00 0.00 H new ATOM 0 HA HIS A 84 15.141 -13.550 4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.183 -16.043 2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.186 -14.723 3.331 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.881 -17.516 4.923 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.641 -16.159 7.845 1.00 0.00 H new ATOM 0 HE2 HIS A 84 15.806 -17.849 7.337 1.00 0.00 H new ATOM 1282 N LEU A 85 14.933 -12.298 2.034 1.00 0.00 N ATOM 1283 CA LEU A 85 14.959 -11.514 0.804 1.00 0.00 C ATOM 1284 C LEU A 85 16.367 -11.007 0.511 1.00 0.00 C ATOM 1285 O LEU A 85 17.155 -10.766 1.427 1.00 0.00 O ATOM 1286 CB LEU A 85 13.990 -10.335 0.907 1.00 0.00 C ATOM 1287 CG LEU A 85 14.153 -9.238 -0.146 1.00 0.00 C ATOM 1288 CD1 LEU A 85 13.315 -9.551 -1.376 1.00 0.00 C ATOM 1289 CD2 LEU A 85 13.772 -7.883 0.431 1.00 0.00 C ATOM 0 H LEU A 85 14.749 -11.754 2.877 1.00 0.00 H new ATOM 0 HA LEU A 85 14.648 -12.161 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.972 -10.721 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.102 -9.884 1.893 1.00 0.00 H new ATOM 0 HG LEU A 85 15.201 -9.201 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.443 -8.760 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.636 -10.501 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.264 -9.617 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.894 -7.115 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.733 -7.906 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.416 -7.655 1.281 1.00 0.00 H new ATOM 1301 N VAL A 86 16.677 -10.843 -0.771 1.00 0.00 N ATOM 1302 CA VAL A 86 17.989 -10.360 -1.185 1.00 0.00 C ATOM 1303 C VAL A 86 17.871 -9.362 -2.331 1.00 0.00 C ATOM 1304 O VAL A 86 17.446 -9.713 -3.432 1.00 0.00 O ATOM 1305 CB VAL A 86 18.902 -11.521 -1.622 1.00 0.00 C ATOM 1306 CG1 VAL A 86 20.212 -10.989 -2.182 1.00 0.00 C ATOM 1307 CG2 VAL A 86 19.156 -12.466 -0.457 1.00 0.00 C ATOM 0 H VAL A 86 16.037 -11.038 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 86 18.431 -9.865 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 86 18.398 -12.080 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 86 20.844 -11.824 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.008 -10.356 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.724 -10.405 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 86 19.803 -13.280 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 86 19.639 -11.922 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 86 18.208 -12.874 -0.106 1.00 0.00 H new ATOM 1317 N ILE A 87 18.250 -8.117 -2.065 1.00 0.00 N ATOM 1318 CA ILE A 87 18.189 -7.067 -3.074 1.00 0.00 C ATOM 1319 C ILE A 87 19.492 -6.985 -3.862 1.00 0.00 C ATOM 1320 O ILE A 87 20.562 -6.767 -3.293 1.00 0.00 O ATOM 1321 CB ILE A 87 17.896 -5.694 -2.442 1.00 0.00 C ATOM 1322 CG1 ILE A 87 16.743 -5.804 -1.442 1.00 0.00 C ATOM 1323 CG2 ILE A 87 17.572 -4.672 -3.521 1.00 0.00 C ATOM 1324 CD1 ILE A 87 17.181 -6.232 -0.059 1.00 0.00 C ATOM 0 H ILE A 87 18.603 -7.810 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 87 17.374 -7.327 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 87 18.785 -5.360 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 87 16.240 -4.840 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 87 16.012 -6.519 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 87 17.367 -3.707 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 87 18.420 -4.577 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.696 -4.999 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 87 16.312 -6.289 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 87 17.658 -7.211 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 87 17.889 -5.506 0.339 1.00 0.00 H new ATOM 1336 N LYS A 88 19.395 -7.158 -5.176 1.00 0.00 N ATOM 1337 CA LYS A 88 20.565 -7.101 -6.044 1.00 0.00 C ATOM 1338 C LYS A 88 20.939 -5.655 -6.357 1.00 0.00 C ATOM 1339 O LYS A 88 22.102 -5.349 -6.621 1.00 0.00 O ATOM 1340 CB LYS A 88 20.299 -7.863 -7.344 1.00 0.00 C ATOM 1341 CG LYS A 88 19.650 -9.220 -7.131 1.00 0.00 C ATOM 1342 CD LYS A 88 20.379 -10.027 -6.070 1.00 0.00 C ATOM 1343 CE LYS A 88 21.779 -10.409 -6.525 1.00 0.00 C ATOM 1344 NZ LYS A 88 22.788 -9.387 -6.134 1.00 0.00 N ATOM 0 H LYS A 88 18.517 -7.339 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 88 21.399 -7.569 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 88 19.657 -7.259 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 88 21.241 -7.999 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.610 -9.084 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 88 19.645 -9.773 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 88 20.440 -9.448 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 88 19.810 -10.929 -5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.051 -11.372 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 88 21.788 -10.532 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 23.740 -9.804 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 22.732 -8.578 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.598 -9.065 -5.164 1.00 0.00 H new ATOM 1358 N ARG A 89 19.947 -4.772 -6.326 1.00 0.00 N ATOM 1359 CA ARG A 89 20.172 -3.359 -6.606 1.00 0.00 C ATOM 1360 C ARG A 89 20.769 -3.170 -7.998 1.00 0.00 C ATOM 1361 O ARG A 89 21.755 -2.453 -8.168 1.00 0.00 O ATOM 1362 CB ARG A 89 21.101 -2.750 -5.554 1.00 0.00 C ATOM 1363 CG ARG A 89 20.460 -2.613 -4.183 1.00 0.00 C ATOM 1364 CD ARG A 89 21.073 -1.467 -3.394 1.00 0.00 C ATOM 1365 NE ARG A 89 20.837 -1.603 -1.959 1.00 0.00 N ATOM 1366 CZ ARG A 89 19.687 -1.295 -1.371 1.00 0.00 C ATOM 1367 NH1 ARG A 89 18.672 -0.836 -2.091 1.00 0.00 N ATOM 1368 NH2 ARG A 89 19.549 -1.446 -0.060 1.00 0.00 N ATOM 0 H ARG A 89 18.979 -5.010 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 89 19.209 -2.849 -6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 89 21.994 -3.369 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 89 21.426 -1.767 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.389 -2.446 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.581 -3.544 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 89 22.146 -1.430 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 89 20.655 -0.523 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 89 21.597 -1.954 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.774 -0.719 -3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.790 -0.600 -1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.327 -1.799 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.665 -1.209 0.390 1.00 0.00 H new ATOM 1382 N GLN A 90 20.165 -3.818 -8.989 1.00 0.00 N ATOM 1383 CA GLN A 90 20.639 -3.722 -10.364 1.00 0.00 C ATOM 1384 C GLN A 90 19.714 -2.840 -11.197 1.00 0.00 C ATOM 1385 O GLN A 90 19.482 -3.107 -12.377 1.00 0.00 O ATOM 1386 CB GLN A 90 20.737 -5.114 -10.991 1.00 0.00 C ATOM 1387 CG GLN A 90 21.882 -5.949 -10.442 1.00 0.00 C ATOM 1388 CD GLN A 90 22.280 -7.077 -11.373 1.00 0.00 C ATOM 1389 OE1 GLN A 90 21.962 -8.241 -11.129 1.00 0.00 O ATOM 1390 NE2 GLN A 90 22.981 -6.738 -12.449 1.00 0.00 N ATOM 0 H GLN A 90 19.347 -4.415 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 90 21.630 -3.268 -10.350 1.00 0.00 H new ATOM 0 HB2 GLN A 90 19.799 -5.645 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 90 20.859 -5.010 -12.069 1.00 0.00 H new ATOM 0 HG2 GLN A 90 22.744 -5.306 -10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 90 21.593 -6.365 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 90 23.223 -5.761 -12.613 1.00 0.00 H new ATOM 0 HE22 GLN A 90 23.277 -7.455 -13.111 1.00 0.00 H new ATOM 1399 N HIS A 91 19.189 -1.789 -10.576 1.00 0.00 N ATOM 1400 CA HIS A 91 18.289 -0.867 -11.261 1.00 0.00 C ATOM 1401 C HIS A 91 18.925 0.513 -11.394 1.00 0.00 C ATOM 1402 O HIS A 91 19.067 1.239 -10.410 1.00 0.00 O ATOM 1403 CB HIS A 91 16.963 -0.761 -10.507 1.00 0.00 C ATOM 1404 CG HIS A 91 15.910 -0.001 -11.252 1.00 0.00 C ATOM 1405 ND1 HIS A 91 15.389 -0.422 -12.458 1.00 0.00 N ATOM 1406 CD2 HIS A 91 15.279 1.160 -10.956 1.00 0.00 C ATOM 1407 CE1 HIS A 91 14.484 0.448 -12.871 1.00 0.00 C ATOM 1408 NE2 HIS A 91 14.398 1.416 -11.977 1.00 0.00 N ATOM 0 H HIS A 91 19.371 -1.554 -9.600 1.00 0.00 H new ATOM 0 HA HIS A 91 18.099 -1.258 -12.261 1.00 0.00 H new ATOM 0 HB2 HIS A 91 16.594 -1.764 -10.295 1.00 0.00 H new ATOM 0 HB3 HIS A 91 17.138 -0.276 -9.547 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.439 1.771 -10.080 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.912 0.379 -13.784 1.00 0.00 H new ATOM 0 HE2 HIS A 91 13.777 2.223 -12.036 1.00 0.00 H new ATOM 1417 N ARG A 92 19.305 0.869 -12.617 1.00 0.00 N ATOM 1418 CA ARG A 92 19.927 2.161 -12.878 1.00 0.00 C ATOM 1419 C ARG A 92 18.871 3.221 -13.182 1.00 0.00 C ATOM 1420 O ARG A 92 18.896 4.315 -12.619 1.00 0.00 O ATOM 1421 CB ARG A 92 20.907 2.053 -14.048 1.00 0.00 C ATOM 1422 CG ARG A 92 21.906 3.196 -14.113 1.00 0.00 C ATOM 1423 CD ARG A 92 23.205 2.763 -14.775 1.00 0.00 C ATOM 1424 NE ARG A 92 24.309 3.665 -14.457 1.00 0.00 N ATOM 1425 CZ ARG A 92 24.543 4.798 -15.109 1.00 0.00 C ATOM 1426 NH1 ARG A 92 23.755 5.166 -16.109 1.00 0.00 N ATOM 1427 NH2 ARG A 92 25.568 5.566 -14.760 1.00 0.00 N ATOM 0 H ARG A 92 19.193 0.280 -13.442 1.00 0.00 H new ATOM 0 HA ARG A 92 20.472 2.461 -11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 92 21.450 1.111 -13.970 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.344 2.020 -14.981 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.473 4.028 -14.668 1.00 0.00 H new ATOM 0 HG3 ARG A 92 22.113 3.558 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 92 23.457 1.753 -14.452 1.00 0.00 H new ATOM 0 HD3 ARG A 92 23.067 2.727 -15.856 1.00 0.00 H new ATOM 0 HE ARG A 92 24.934 3.411 -13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 92 22.966 4.578 -16.380 1.00 0.00 H new ATOM 0 HH12 ARG A 92 23.937 6.037 -16.608 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.176 5.286 -13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 92 25.747 6.436 -15.261 1.00 0.00 H new ATOM 1441 N ALA A 93 17.946 2.888 -14.076 1.00 0.00 N ATOM 1442 CA ALA A 93 16.882 3.810 -14.454 1.00 0.00 C ATOM 1443 C ALA A 93 15.987 4.133 -13.262 1.00 0.00 C ATOM 1444 O ALA A 93 15.998 3.425 -12.256 1.00 0.00 O ATOM 1445 CB ALA A 93 16.057 3.226 -15.592 1.00 0.00 C ATOM 0 H ALA A 93 17.912 1.987 -14.552 1.00 0.00 H new ATOM 0 HA ALA A 93 17.342 4.738 -14.792 1.00 0.00 H new ATOM 0 HB1 ALA A 93 15.266 3.925 -15.864 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.700 3.051 -16.455 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.614 2.283 -15.273 1.00 0.00 H new ATOM 1451 N MET A 94 15.215 5.208 -13.382 1.00 0.00 N ATOM 1452 CA MET A 94 14.314 5.625 -12.313 1.00 0.00 C ATOM 1453 C MET A 94 12.885 5.178 -12.602 1.00 0.00 C ATOM 1454 O MET A 94 12.575 4.732 -13.706 1.00 0.00 O ATOM 1455 CB MET A 94 14.362 7.144 -12.141 1.00 0.00 C ATOM 1456 CG MET A 94 15.573 7.630 -11.361 1.00 0.00 C ATOM 1457 SD MET A 94 15.426 7.327 -9.590 1.00 0.00 S ATOM 1458 CE MET A 94 14.545 8.796 -9.067 1.00 0.00 C ATOM 0 H MET A 94 15.195 5.806 -14.208 1.00 0.00 H new ATOM 0 HA MET A 94 14.643 5.152 -11.388 1.00 0.00 H new ATOM 0 HB2 MET A 94 14.362 7.613 -13.125 1.00 0.00 H new ATOM 0 HB3 MET A 94 13.456 7.472 -11.631 1.00 0.00 H new ATOM 0 HG2 MET A 94 16.467 7.132 -11.738 1.00 0.00 H new ATOM 0 HG3 MET A 94 15.706 8.698 -11.533 1.00 0.00 H new ATOM 0 HE1 MET A 94 14.378 8.756 -7.991 1.00 0.00 H new ATOM 0 HE2 MET A 94 15.135 9.680 -9.310 1.00 0.00 H new ATOM 0 HE3 MET A 94 13.585 8.847 -9.581 1.00 0.00 H new ATOM 1468 N GLY A 95 12.017 5.302 -11.603 1.00 0.00 N ATOM 1469 CA GLY A 95 10.631 4.906 -11.771 1.00 0.00 C ATOM 1470 C GLY A 95 9.674 5.812 -11.020 1.00 0.00 C ATOM 1471 O GLY A 95 8.960 6.609 -11.626 1.00 0.00 O ATOM 0 H GLY A 95 12.249 5.670 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.379 4.916 -12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.504 3.881 -11.423 1.00 0.00 H new ATOM 1475 N ASN A 96 9.660 5.688 -9.697 1.00 0.00 N ATOM 1476 CA ASN A 96 8.782 6.500 -8.863 1.00 0.00 C ATOM 1477 C ASN A 96 7.317 6.188 -9.150 1.00 0.00 C ATOM 1478 O ASN A 96 6.484 7.091 -9.230 1.00 0.00 O ATOM 1479 CB ASN A 96 9.054 7.988 -9.098 1.00 0.00 C ATOM 1480 CG ASN A 96 8.514 8.858 -7.979 1.00 0.00 C ATOM 1481 OD1 ASN A 96 7.369 9.309 -8.026 1.00 0.00 O ATOM 1482 ND2 ASN A 96 9.338 9.098 -6.966 1.00 0.00 N ATOM 0 H ASN A 96 10.247 5.033 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 96 8.988 6.260 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 96 10.128 8.148 -9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.602 8.293 -10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.030 9.677 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.279 8.703 -6.969 1.00 0.00 H new ATOM 1489 N GLU A 97 7.010 4.904 -9.303 1.00 0.00 N ATOM 1490 CA GLU A 97 5.645 4.473 -9.581 1.00 0.00 C ATOM 1491 C GLU A 97 4.888 4.194 -8.286 1.00 0.00 C ATOM 1492 O GLU A 97 5.407 3.542 -7.379 1.00 0.00 O ATOM 1493 CB GLU A 97 5.651 3.221 -10.461 1.00 0.00 C ATOM 1494 CG GLU A 97 6.076 1.962 -9.725 1.00 0.00 C ATOM 1495 CD GLU A 97 7.542 1.978 -9.338 1.00 0.00 C ATOM 1496 OE1 GLU A 97 8.384 1.624 -10.189 1.00 0.00 O ATOM 1497 OE2 GLU A 97 7.846 2.347 -8.185 1.00 0.00 O ATOM 0 H GLU A 97 7.688 4.144 -9.239 1.00 0.00 H new ATOM 0 HA GLU A 97 5.138 5.279 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.653 3.072 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.322 3.383 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.469 1.848 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.880 1.094 -10.355 1.00 0.00 H new ATOM 1504 N CYS A 98 3.659 4.692 -8.206 1.00 0.00 N ATOM 1505 CA CYS A 98 2.830 4.498 -7.022 1.00 0.00 C ATOM 1506 C CYS A 98 1.453 3.965 -7.404 1.00 0.00 C ATOM 1507 O CYS A 98 0.469 4.703 -7.464 1.00 0.00 O ATOM 1508 CB CYS A 98 2.687 5.812 -6.253 1.00 0.00 C ATOM 1509 SG CYS A 98 4.255 6.511 -5.687 1.00 0.00 S ATOM 0 H CYS A 98 3.215 5.233 -8.947 1.00 0.00 H new ATOM 0 HA CYS A 98 3.319 3.763 -6.383 1.00 0.00 H new ATOM 0 HB2 CYS A 98 2.186 6.541 -6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 98 2.043 5.647 -5.390 1.00 0.00 H new ATOM 0 HG CYS A 98 4.030 7.621 -5.050 1.00 0.00 H new ATOM 1515 N PRO A 99 1.379 2.653 -7.669 1.00 0.00 N ATOM 1516 CA PRO A 99 0.127 1.992 -8.051 1.00 0.00 C ATOM 1517 C PRO A 99 -0.863 1.913 -6.894 1.00 0.00 C ATOM 1518 O PRO A 99 -2.010 1.503 -7.073 1.00 0.00 O ATOM 1519 CB PRO A 99 0.578 0.589 -8.464 1.00 0.00 C ATOM 1520 CG PRO A 99 1.850 0.365 -7.721 1.00 0.00 C ATOM 1521 CD PRO A 99 2.511 1.712 -7.617 1.00 0.00 C ATOM 0 HA PRO A 99 -0.397 2.535 -8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.170 -0.160 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.732 0.524 -9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.657 -0.052 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.489 -0.344 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.075 1.812 -6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.211 1.880 -8.435 1.00 0.00 H new ATOM 1529 N ALA A 100 -0.414 2.310 -5.708 1.00 0.00 N ATOM 1530 CA ALA A 100 -1.262 2.287 -4.523 1.00 0.00 C ATOM 1531 C ALA A 100 -1.765 3.685 -4.180 1.00 0.00 C ATOM 1532 O ALA A 100 -2.971 3.927 -4.133 1.00 0.00 O ATOM 1533 CB ALA A 100 -0.505 1.693 -3.344 1.00 0.00 C ATOM 0 H ALA A 100 0.533 2.652 -5.542 1.00 0.00 H new ATOM 0 HA ALA A 100 -2.128 1.661 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.150 1.682 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.200 0.674 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.379 2.297 -3.137 1.00 0.00 H new ATOM 1539 N SER A 101 -0.833 4.602 -3.942 1.00 0.00 N ATOM 1540 CA SER A 101 -1.182 5.976 -3.599 1.00 0.00 C ATOM 1541 C SER A 101 -2.228 6.009 -2.489 1.00 0.00 C ATOM 1542 O SER A 101 -3.168 6.802 -2.530 1.00 0.00 O ATOM 1543 CB SER A 101 -1.707 6.714 -4.832 1.00 0.00 C ATOM 1544 OG SER A 101 -0.660 6.985 -5.748 1.00 0.00 O ATOM 0 H SER A 101 0.170 4.419 -3.980 1.00 0.00 H new ATOM 0 HA SER A 101 -0.282 6.476 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 101 -2.475 6.113 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.179 7.648 -4.527 1.00 0.00 H new ATOM 0 HG SER A 101 -0.401 6.157 -6.203 1.00 0.00 H new ATOM 1550 N GLY A 102 -2.056 5.142 -1.496 1.00 0.00 N ATOM 1551 CA GLY A 102 -2.992 5.087 -0.388 1.00 0.00 C ATOM 1552 C GLY A 102 -2.543 4.136 0.704 1.00 0.00 C ATOM 1553 O GLY A 102 -2.529 2.918 0.528 1.00 0.00 O ATOM 0 H GLY A 102 -1.285 4.477 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.113 6.086 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.969 4.776 -0.757 1.00 0.00 H new ATOM 1557 N PRO A 103 -2.164 4.696 1.863 1.00 0.00 N ATOM 1558 CA PRO A 103 -1.705 3.907 3.009 1.00 0.00 C ATOM 1559 C PRO A 103 -2.832 3.107 3.652 1.00 0.00 C ATOM 1560 O PRO A 103 -3.916 3.634 3.902 1.00 0.00 O ATOM 1561 CB PRO A 103 -1.180 4.967 3.982 1.00 0.00 C ATOM 1562 CG PRO A 103 -1.924 6.208 3.627 1.00 0.00 C ATOM 1563 CD PRO A 103 -2.156 6.141 2.142 1.00 0.00 C ATOM 0 HA PRO A 103 -0.960 3.166 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.362 4.679 5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.104 5.106 3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.869 6.265 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.351 7.096 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.099 6.610 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.369 6.653 1.589 1.00 0.00 H new ATOM 1571 N SER A 104 -2.570 1.831 3.916 1.00 0.00 N ATOM 1572 CA SER A 104 -3.565 0.956 4.527 1.00 0.00 C ATOM 1573 C SER A 104 -4.235 1.642 5.714 1.00 0.00 C ATOM 1574 O SER A 104 -3.588 2.358 6.477 1.00 0.00 O ATOM 1575 CB SER A 104 -2.915 -0.353 4.980 1.00 0.00 C ATOM 1576 OG SER A 104 -2.591 -1.172 3.870 1.00 0.00 O ATOM 0 H SER A 104 -1.677 1.380 3.717 1.00 0.00 H new ATOM 0 HA SER A 104 -4.327 0.735 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.013 -0.136 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.593 -0.888 5.645 1.00 0.00 H new ATOM 0 HG SER A 104 -2.175 -2.001 4.186 1.00 0.00 H new ATOM 1582 N SER A 105 -5.537 1.416 5.861 1.00 0.00 N ATOM 1583 CA SER A 105 -6.297 2.014 6.952 1.00 0.00 C ATOM 1584 C SER A 105 -5.602 1.783 8.290 1.00 0.00 C ATOM 1585 O SER A 105 -5.447 2.704 9.090 1.00 0.00 O ATOM 1586 CB SER A 105 -7.713 1.435 6.993 1.00 0.00 C ATOM 1587 OG SER A 105 -8.422 1.902 8.127 1.00 0.00 O ATOM 0 H SER A 105 -6.087 0.824 5.239 1.00 0.00 H new ATOM 0 HA SER A 105 -6.356 3.088 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.249 1.712 6.085 1.00 0.00 H new ATOM 0 HB3 SER A 105 -7.664 0.346 7.014 1.00 0.00 H new ATOM 0 HG SER A 105 -9.324 1.519 8.129 1.00 0.00 H new ATOM 1593 N GLY A 106 -5.184 0.543 8.526 1.00 0.00 N ATOM 1594 CA GLY A 106 -4.510 0.210 9.768 1.00 0.00 C ATOM 1595 C GLY A 106 -5.045 -1.061 10.396 1.00 0.00 C ATOM 1596 O GLY A 106 -4.901 -1.275 11.599 1.00 0.00 O ATOM 0 H GLY A 106 -5.300 -0.237 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.442 0.097 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.623 1.035 10.472 1.00 0.00 H new TER 1600 GLY A 106