USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 766 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 44 GLN : amide:sc= 0.448 K(o=1.1,f=-2.2!) USER MOD Set 1.2: A 60 TYR OH : rot 90:sc= 0.627 USER MOD Set 2.1: A 29 GLN : amide:sc= 0.769 K(o=1.7,f=-0.28) USER MOD Set 2.2: A 46 GLN : amide:sc= 0.887 K(o=1.7,f=-0.28) USER MOD Set 3.1: A 4 THR OG1 : rot -59:sc= 1.62 USER MOD Set 3.2: A 6 SER OG : rot -44:sc= 0.814 USER MOD Single : A 8 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=-0.022) USER MOD Single : A 11 SER OG : rot 76:sc= 0.00723 USER MOD Single : A 12 THR OG1 : rot 80:sc= 0.852 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.932 (180deg=0.916) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.854 K(o=0.85,f=-0.0014) USER MOD Single : A 31 THR OG1 : rot 58:sc= 1.29 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0.00406 X(o=0.0041,f=-0.34) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 176:sc= -0.498 (180deg=-0.553) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 61 TYR OH : rot -116:sc= 0.297 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.318 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 78 ASN : amide:sc=-0.00789 K(o=-0.0079,f=-1.1) USER MOD Single : A 79 GLN : amide:sc= 0.825 K(o=0.82,f=-1.2) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 0.882 -0.084 0.101 1.00 0.00 N ATOM 2 CA THR A 4 2.277 0.048 -0.303 1.00 0.00 C ATOM 3 C THR A 4 2.662 1.510 -0.486 1.00 0.00 C ATOM 4 O THR A 4 1.803 2.366 -0.697 1.00 0.00 O ATOM 5 CB THR A 4 2.561 -0.715 -1.610 1.00 0.00 C ATOM 6 OG1 THR A 4 1.868 -0.083 -2.695 1.00 0.00 O ATOM 7 CG2 THR A 4 2.104 -2.161 -1.495 1.00 0.00 C ATOM 0 HA THR A 4 2.878 -0.385 0.497 1.00 0.00 H new ATOM 0 HB THR A 4 3.635 -0.699 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.905 -0.080 -2.511 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.313 -2.684 -2.428 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.638 -2.648 -0.679 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.033 -2.189 -1.295 1.00 0.00 H new ATOM 15 N PRO A 5 3.958 1.791 -0.402 1.00 0.00 N ATOM 16 CA PRO A 5 4.461 3.149 -0.573 1.00 0.00 C ATOM 17 C PRO A 5 4.236 3.643 -1.996 1.00 0.00 C ATOM 18 O PRO A 5 4.245 4.847 -2.254 1.00 0.00 O ATOM 19 CB PRO A 5 5.950 3.042 -0.228 1.00 0.00 C ATOM 20 CG PRO A 5 6.285 1.610 -0.464 1.00 0.00 C ATOM 21 CD PRO A 5 5.054 0.841 -0.067 1.00 0.00 C ATOM 0 HA PRO A 5 3.948 3.873 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.551 3.699 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.139 3.329 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.539 1.433 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.147 1.305 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.964 -0.094 -0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.060 0.585 0.993 1.00 0.00 H new ATOM 29 N SER A 6 4.037 2.708 -2.918 1.00 0.00 N ATOM 30 CA SER A 6 3.796 3.049 -4.315 1.00 0.00 C ATOM 31 C SER A 6 2.379 3.571 -4.519 1.00 0.00 C ATOM 32 O SER A 6 2.075 4.191 -5.538 1.00 0.00 O ATOM 33 CB SER A 6 4.045 1.841 -5.197 1.00 0.00 C ATOM 34 OG SER A 6 3.056 0.860 -5.040 1.00 0.00 O ATOM 0 H SER A 6 4.038 1.707 -2.723 1.00 0.00 H new ATOM 0 HA SER A 6 4.489 3.843 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.081 2.156 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.019 1.414 -4.959 1.00 0.00 H new ATOM 0 HG SER A 6 2.861 0.742 -4.087 1.00 0.00 H new ATOM 40 N ASP A 7 1.515 3.316 -3.543 1.00 0.00 N ATOM 41 CA ASP A 7 0.160 3.854 -3.559 1.00 0.00 C ATOM 42 C ASP A 7 0.071 5.148 -2.760 1.00 0.00 C ATOM 43 O ASP A 7 -0.687 6.053 -3.108 1.00 0.00 O ATOM 44 CB ASP A 7 -0.833 2.828 -3.007 1.00 0.00 C ATOM 45 CG ASP A 7 -0.952 1.558 -3.840 1.00 0.00 C ATOM 46 OD1 ASP A 7 -1.150 1.666 -5.027 1.00 0.00 O ATOM 47 OD2 ASP A 7 -0.690 0.501 -3.316 1.00 0.00 O ATOM 0 H ASP A 7 1.729 2.739 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.097 4.074 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.533 2.557 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.816 3.294 -2.934 1.00 0.00 H new ATOM 52 N HIS A 8 0.852 5.230 -1.687 1.00 0.00 N ATOM 53 CA HIS A 8 0.891 6.428 -0.858 1.00 0.00 C ATOM 54 C HIS A 8 1.566 7.582 -1.589 1.00 0.00 C ATOM 55 O HIS A 8 1.121 8.727 -1.505 1.00 0.00 O ATOM 56 CB HIS A 8 1.615 6.149 0.462 1.00 0.00 C ATOM 57 CG HIS A 8 0.851 5.258 1.392 1.00 0.00 C ATOM 58 ND1 HIS A 8 1.426 4.666 2.496 1.00 0.00 N ATOM 59 CD2 HIS A 8 -0.443 4.860 1.381 1.00 0.00 C ATOM 60 CE1 HIS A 8 0.518 3.941 3.126 1.00 0.00 C ATOM 61 NE2 HIS A 8 -0.623 4.041 2.470 1.00 0.00 N ATOM 0 H HIS A 8 1.467 4.480 -1.372 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.138 6.714 -0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.581 5.692 0.247 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.815 7.096 0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.193 5.134 0.654 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.682 3.365 4.025 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.497 3.584 2.729 1.00 0.00 H new ATOM 69 N LEU A 9 2.642 7.274 -2.305 1.00 0.00 N ATOM 70 CA LEU A 9 3.326 8.266 -3.125 1.00 0.00 C ATOM 71 C LEU A 9 2.475 8.674 -4.321 1.00 0.00 C ATOM 72 O LEU A 9 2.494 9.831 -4.741 1.00 0.00 O ATOM 73 CB LEU A 9 4.681 7.721 -3.595 1.00 0.00 C ATOM 74 CG LEU A 9 5.726 7.525 -2.489 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.958 6.831 -3.052 1.00 0.00 C ATOM 76 CD2 LEU A 9 6.094 8.875 -1.892 1.00 0.00 C ATOM 0 H LEU A 9 3.059 6.344 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 9 3.493 9.153 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.517 6.765 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.089 8.402 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 9 5.309 6.896 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.694 6.696 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.676 5.858 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.388 7.441 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.836 8.735 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.506 9.517 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.203 9.341 -1.471 1.00 0.00 H new ATOM 88 N LEU A 10 1.730 7.718 -4.864 1.00 0.00 N ATOM 89 CA LEU A 10 0.795 7.998 -5.947 1.00 0.00 C ATOM 90 C LEU A 10 -0.220 9.058 -5.538 1.00 0.00 C ATOM 91 O LEU A 10 -0.376 10.075 -6.213 1.00 0.00 O ATOM 92 CB LEU A 10 0.078 6.712 -6.375 1.00 0.00 C ATOM 93 CG LEU A 10 -0.719 6.812 -7.681 1.00 0.00 C ATOM 94 CD1 LEU A 10 -1.300 5.452 -8.044 1.00 0.00 C ATOM 95 CD2 LEU A 10 -1.824 7.846 -7.524 1.00 0.00 C ATOM 0 H LEU A 10 1.755 6.741 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 10 1.364 8.385 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.819 5.920 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.600 6.410 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.057 7.126 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.864 5.534 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.491 4.733 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.962 5.114 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.390 7.917 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.490 7.547 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.384 8.816 -7.292 1.00 0.00 H new ATOM 107 N SER A 11 -0.908 8.814 -4.427 1.00 0.00 N ATOM 108 CA SER A 11 -1.952 9.718 -3.959 1.00 0.00 C ATOM 109 C SER A 11 -1.385 11.092 -3.627 1.00 0.00 C ATOM 110 O SER A 11 -2.012 12.115 -3.900 1.00 0.00 O ATOM 111 CB SER A 11 -2.648 9.127 -2.748 1.00 0.00 C ATOM 112 OG SER A 11 -3.357 7.961 -3.065 1.00 0.00 O ATOM 0 H SER A 11 -0.761 7.997 -3.834 1.00 0.00 H new ATOM 0 HA SER A 11 -2.679 9.842 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.909 8.904 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.332 9.864 -2.328 1.00 0.00 H new ATOM 0 HG SER A 11 -2.730 7.215 -3.168 1.00 0.00 H new ATOM 118 N THR A 12 -0.194 11.107 -3.038 1.00 0.00 N ATOM 119 CA THR A 12 0.473 12.357 -2.693 1.00 0.00 C ATOM 120 C THR A 12 0.796 13.171 -3.938 1.00 0.00 C ATOM 121 O THR A 12 0.570 14.381 -3.977 1.00 0.00 O ATOM 122 CB THR A 12 1.772 12.105 -1.905 1.00 0.00 C ATOM 123 OG1 THR A 12 1.465 11.443 -0.671 1.00 0.00 O ATOM 124 CG2 THR A 12 2.479 13.419 -1.608 1.00 0.00 C ATOM 0 H THR A 12 0.329 10.267 -2.790 1.00 0.00 H new ATOM 0 HA THR A 12 -0.219 12.919 -2.065 1.00 0.00 H new ATOM 0 HB THR A 12 2.429 11.478 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.323 10.488 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.395 13.222 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.725 13.920 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.825 14.059 -1.016 1.00 0.00 H new ATOM 132 N LEU A 13 1.327 12.501 -4.955 1.00 0.00 N ATOM 133 CA LEU A 13 1.685 13.163 -6.205 1.00 0.00 C ATOM 134 C LEU A 13 0.446 13.485 -7.032 1.00 0.00 C ATOM 135 O LEU A 13 0.461 14.395 -7.861 1.00 0.00 O ATOM 136 CB LEU A 13 2.651 12.286 -7.011 1.00 0.00 C ATOM 137 CG LEU A 13 4.026 12.067 -6.367 1.00 0.00 C ATOM 138 CD1 LEU A 13 4.825 11.052 -7.174 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.766 13.394 -6.286 1.00 0.00 C ATOM 0 H LEU A 13 1.519 11.499 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 13 2.180 14.103 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.185 11.314 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.795 12.739 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 13 3.897 11.675 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.800 10.903 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.287 10.104 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.961 11.421 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.743 13.238 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.896 13.800 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.190 14.095 -5.682 1.00 0.00 H new ATOM 151 N GLU A 14 -0.626 12.733 -6.801 1.00 0.00 N ATOM 152 CA GLU A 14 -1.904 13.004 -7.446 1.00 0.00 C ATOM 153 C GLU A 14 -2.519 14.299 -6.929 1.00 0.00 C ATOM 154 O GLU A 14 -3.037 15.103 -7.704 1.00 0.00 O ATOM 155 CB GLU A 14 -2.873 11.839 -7.227 1.00 0.00 C ATOM 156 CG GLU A 14 -4.227 12.012 -7.899 1.00 0.00 C ATOM 157 CD GLU A 14 -5.117 10.828 -7.647 1.00 0.00 C ATOM 158 OE1 GLU A 14 -4.689 9.919 -6.976 1.00 0.00 O ATOM 159 OE2 GLU A 14 -6.263 10.878 -8.029 1.00 0.00 O ATOM 0 H GLU A 14 -0.634 11.931 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.720 13.116 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.411 10.924 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.027 11.707 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.707 12.917 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.089 12.144 -8.972 1.00 0.00 H new ATOM 166 N GLU A 15 -2.457 14.495 -5.617 1.00 0.00 N ATOM 167 CA GLU A 15 -2.993 15.700 -4.996 1.00 0.00 C ATOM 168 C GLU A 15 -2.033 16.873 -5.150 1.00 0.00 C ATOM 169 O GLU A 15 -2.430 18.032 -5.032 1.00 0.00 O ATOM 170 CB GLU A 15 -3.289 15.454 -3.515 1.00 0.00 C ATOM 171 CG GLU A 15 -4.426 14.476 -3.254 1.00 0.00 C ATOM 172 CD GLU A 15 -4.673 14.307 -1.781 1.00 0.00 C ATOM 173 OE1 GLU A 15 -4.001 14.945 -1.007 1.00 0.00 O ATOM 174 OE2 GLU A 15 -5.608 13.625 -1.431 1.00 0.00 O ATOM 0 H GLU A 15 -2.040 13.834 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.923 15.951 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.386 15.079 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.530 16.406 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.335 14.833 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.187 13.510 -3.698 1.00 0.00 H new ATOM 181 N LEU A 16 -0.768 16.565 -5.416 1.00 0.00 N ATOM 182 CA LEU A 16 0.232 17.593 -5.678 1.00 0.00 C ATOM 183 C LEU A 16 -0.125 18.406 -6.916 1.00 0.00 C ATOM 184 O LEU A 16 -0.397 17.849 -7.979 1.00 0.00 O ATOM 185 CB LEU A 16 1.617 16.955 -5.840 1.00 0.00 C ATOM 186 CG LEU A 16 2.753 17.933 -6.165 1.00 0.00 C ATOM 187 CD1 LEU A 16 2.880 18.972 -5.059 1.00 0.00 C ATOM 188 CD2 LEU A 16 4.054 17.165 -6.335 1.00 0.00 C ATOM 0 H LEU A 16 -0.411 15.610 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 16 0.252 18.271 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.866 16.427 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.565 16.208 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 16 2.529 18.452 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.689 19.662 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.945 19.526 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.097 18.473 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.860 17.861 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.286 16.634 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.950 16.448 -7.149 1.00 0.00 H new ATOM 200 N VAL A 17 -0.122 19.727 -6.770 1.00 0.00 N ATOM 201 CA VAL A 17 -0.436 20.620 -7.879 1.00 0.00 C ATOM 202 C VAL A 17 0.476 20.362 -9.071 1.00 0.00 C ATOM 203 O VAL A 17 1.696 20.294 -8.928 1.00 0.00 O ATOM 204 CB VAL A 17 -0.316 22.099 -7.465 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.540 23.009 -8.663 1.00 0.00 C ATOM 206 CG2 VAL A 17 -1.306 22.425 -6.358 1.00 0.00 C ATOM 0 H VAL A 17 0.095 20.203 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.468 20.414 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 17 0.692 22.269 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.451 24.050 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.207 22.794 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.536 22.836 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.207 23.474 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.320 22.238 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.102 21.797 -5.491 1.00 0.00 H new ATOM 216 N PRO A 18 -0.124 20.216 -10.247 1.00 0.00 N ATOM 217 CA PRO A 18 0.621 19.857 -11.448 1.00 0.00 C ATOM 218 C PRO A 18 1.811 20.786 -11.655 1.00 0.00 C ATOM 219 O PRO A 18 2.888 20.349 -12.061 1.00 0.00 O ATOM 220 CB PRO A 18 -0.407 19.978 -12.577 1.00 0.00 C ATOM 221 CG PRO A 18 -1.708 19.646 -11.930 1.00 0.00 C ATOM 222 CD PRO A 18 -1.619 20.212 -10.538 1.00 0.00 C ATOM 0 HA PRO A 18 1.050 18.856 -11.395 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.418 20.983 -12.999 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.183 19.292 -13.394 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.542 20.083 -12.479 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.871 18.569 -11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.040 21.216 -10.486 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.165 19.600 -9.821 1.00 0.00 H new ATOM 230 N TYR A 19 1.610 22.069 -11.375 1.00 0.00 N ATOM 231 CA TYR A 19 2.675 23.057 -11.501 1.00 0.00 C ATOM 232 C TYR A 19 3.797 22.785 -10.507 1.00 0.00 C ATOM 233 O TYR A 19 4.969 23.027 -10.799 1.00 0.00 O ATOM 234 CB TYR A 19 2.121 24.469 -11.295 1.00 0.00 C ATOM 235 CG TYR A 19 1.253 24.959 -12.431 1.00 0.00 C ATOM 236 CD1 TYR A 19 1.818 25.418 -13.612 1.00 0.00 C ATOM 237 CD2 TYR A 19 -0.130 24.963 -12.321 1.00 0.00 C ATOM 238 CE1 TYR A 19 1.029 25.867 -14.653 1.00 0.00 C ATOM 239 CE2 TYR A 19 -0.929 25.410 -13.356 1.00 0.00 C ATOM 240 CZ TYR A 19 -0.344 25.861 -14.522 1.00 0.00 C ATOM 241 OH TYR A 19 -1.134 26.308 -15.556 1.00 0.00 O ATOM 0 H TYR A 19 0.718 22.450 -11.059 1.00 0.00 H new ATOM 0 HA TYR A 19 3.085 22.981 -12.508 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.541 24.490 -10.373 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.954 25.160 -11.163 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.893 25.424 -13.719 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.590 24.610 -11.410 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.485 26.221 -15.566 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.004 25.407 -13.253 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.078 26.236 -15.301 1.00 0.00 H new ATOM 251 N ASP A 20 3.433 22.281 -9.333 1.00 0.00 N ATOM 252 CA ASP A 20 4.412 21.951 -8.305 1.00 0.00 C ATOM 253 C ASP A 20 4.952 20.540 -8.491 1.00 0.00 C ATOM 254 O ASP A 20 5.993 20.185 -7.937 1.00 0.00 O ATOM 255 CB ASP A 20 3.796 22.099 -6.912 1.00 0.00 C ATOM 256 CG ASP A 20 3.587 23.539 -6.465 1.00 0.00 C ATOM 257 OD1 ASP A 20 4.100 24.421 -7.112 1.00 0.00 O ATOM 258 OD2 ASP A 20 2.793 23.756 -5.581 1.00 0.00 O ATOM 0 H ASP A 20 2.466 22.092 -9.070 1.00 0.00 H new ATOM 0 HA ASP A 20 5.244 22.649 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.836 21.584 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.439 21.597 -6.189 1.00 0.00 H new ATOM 263 N PHE A 21 4.240 19.738 -9.275 1.00 0.00 N ATOM 264 CA PHE A 21 4.726 18.420 -9.667 1.00 0.00 C ATOM 265 C PHE A 21 5.897 18.530 -10.635 1.00 0.00 C ATOM 266 O PHE A 21 6.862 17.772 -10.546 1.00 0.00 O ATOM 267 CB PHE A 21 3.599 17.600 -10.298 1.00 0.00 C ATOM 268 CG PHE A 21 4.023 16.231 -10.748 1.00 0.00 C ATOM 269 CD1 PHE A 21 4.154 15.195 -9.836 1.00 0.00 C ATOM 270 CD2 PHE A 21 4.292 15.977 -12.084 1.00 0.00 C ATOM 271 CE1 PHE A 21 4.544 13.935 -10.250 1.00 0.00 C ATOM 272 CE2 PHE A 21 4.682 14.719 -12.501 1.00 0.00 C ATOM 273 CZ PHE A 21 4.808 13.697 -11.581 1.00 0.00 C ATOM 0 H PHE A 21 3.323 19.978 -9.652 1.00 0.00 H new ATOM 0 HA PHE A 21 5.074 17.912 -8.767 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.788 17.500 -9.577 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.200 18.146 -11.153 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.949 15.374 -8.791 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.195 16.773 -12.808 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.642 13.137 -9.529 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.888 14.535 -13.545 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.113 12.713 -11.904 1.00 0.00 H new ATOM 283 N GLU A 22 5.806 19.480 -11.560 1.00 0.00 N ATOM 284 CA GLU A 22 6.938 19.833 -12.409 1.00 0.00 C ATOM 285 C GLU A 22 8.124 20.305 -11.578 1.00 0.00 C ATOM 286 O GLU A 22 9.259 19.885 -11.803 1.00 0.00 O ATOM 287 CB GLU A 22 6.537 20.914 -13.415 1.00 0.00 C ATOM 288 CG GLU A 22 5.595 20.437 -14.510 1.00 0.00 C ATOM 289 CD GLU A 22 5.163 21.573 -15.394 1.00 0.00 C ATOM 290 OE1 GLU A 22 5.524 22.690 -15.113 1.00 0.00 O ATOM 291 OE2 GLU A 22 4.567 21.314 -16.413 1.00 0.00 O ATOM 0 H GLU A 22 4.959 20.019 -11.741 1.00 0.00 H new ATOM 0 HA GLU A 22 7.238 18.937 -12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.063 21.735 -12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.439 21.315 -13.878 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.090 19.674 -15.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.719 19.970 -14.060 1.00 0.00 H new ATOM 298 N LYS A 23 7.855 21.181 -10.616 1.00 0.00 N ATOM 299 CA LYS A 23 8.873 21.612 -9.666 1.00 0.00 C ATOM 300 C LYS A 23 9.420 20.432 -8.873 1.00 0.00 C ATOM 301 O LYS A 23 10.611 20.378 -8.563 1.00 0.00 O ATOM 302 CB LYS A 23 8.306 22.667 -8.715 1.00 0.00 C ATOM 303 CG LYS A 23 7.992 24.004 -9.374 1.00 0.00 C ATOM 304 CD LYS A 23 7.399 24.987 -8.376 1.00 0.00 C ATOM 305 CE LYS A 23 6.987 26.285 -9.054 1.00 0.00 C ATOM 306 NZ LYS A 23 6.341 27.230 -8.102 1.00 0.00 N ATOM 0 H LYS A 23 6.939 21.607 -10.474 1.00 0.00 H new ATOM 0 HA LYS A 23 9.694 22.052 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.395 22.277 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.020 22.832 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.902 24.423 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.293 23.851 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.533 24.537 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.128 25.199 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.864 26.758 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.299 26.065 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.076 28.101 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.489 26.789 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.006 27.460 -7.336 1.00 0.00 H new ATOM 320 N PHE A 24 8.545 19.488 -8.546 1.00 0.00 N ATOM 321 CA PHE A 24 8.940 18.304 -7.794 1.00 0.00 C ATOM 322 C PHE A 24 10.021 17.520 -8.527 1.00 0.00 C ATOM 323 O PHE A 24 11.059 17.189 -7.954 1.00 0.00 O ATOM 324 CB PHE A 24 7.728 17.408 -7.529 1.00 0.00 C ATOM 325 CG PHE A 24 8.024 16.232 -6.644 1.00 0.00 C ATOM 326 CD1 PHE A 24 7.996 16.359 -5.263 1.00 0.00 C ATOM 327 CD2 PHE A 24 8.333 14.995 -7.191 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.269 15.277 -4.449 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.605 13.911 -6.378 1.00 0.00 C ATOM 330 CZ PHE A 24 8.573 14.053 -5.005 1.00 0.00 C ATOM 0 H PHE A 24 7.555 19.520 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 24 9.349 18.637 -6.840 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.940 18.006 -7.071 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.341 17.046 -8.481 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.758 17.314 -4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.361 14.878 -8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.244 15.390 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.843 12.953 -6.817 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.786 13.207 -4.368 1.00 0.00 H new ATOM 340 N LYS A 25 9.770 17.224 -9.798 1.00 0.00 N ATOM 341 CA LYS A 25 10.701 16.440 -10.600 1.00 0.00 C ATOM 342 C LYS A 25 11.913 17.270 -11.004 1.00 0.00 C ATOM 343 O LYS A 25 12.961 16.727 -11.354 1.00 0.00 O ATOM 344 CB LYS A 25 10.003 15.889 -11.845 1.00 0.00 C ATOM 345 CG LYS A 25 9.669 16.940 -12.896 1.00 0.00 C ATOM 346 CD LYS A 25 8.957 16.322 -14.090 1.00 0.00 C ATOM 347 CE LYS A 25 8.863 17.303 -15.249 1.00 0.00 C ATOM 348 NZ LYS A 25 8.235 16.689 -16.450 1.00 0.00 N ATOM 0 H LYS A 25 8.928 17.516 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 25 11.047 15.606 -9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.640 15.130 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.082 15.392 -11.540 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.039 17.712 -12.454 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.585 17.428 -13.229 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.491 15.428 -14.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.956 16.007 -13.796 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.283 18.173 -14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.861 17.659 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.252 17.369 -17.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.763 15.835 -16.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.250 16.433 -16.234 1.00 0.00 H new ATOM 362 N PHE A 26 11.765 18.590 -10.952 1.00 0.00 N ATOM 363 CA PHE A 26 12.887 19.495 -11.160 1.00 0.00 C ATOM 364 C PHE A 26 13.818 19.506 -9.954 1.00 0.00 C ATOM 365 O PHE A 26 15.000 19.830 -10.073 1.00 0.00 O ATOM 366 CB PHE A 26 12.386 20.911 -11.449 1.00 0.00 C ATOM 367 CG PHE A 26 11.692 21.049 -12.774 1.00 0.00 C ATOM 368 CD1 PHE A 26 11.808 20.060 -13.741 1.00 0.00 C ATOM 369 CD2 PHE A 26 10.923 22.167 -13.059 1.00 0.00 C ATOM 370 CE1 PHE A 26 11.170 20.186 -14.960 1.00 0.00 C ATOM 371 CE2 PHE A 26 10.284 22.295 -14.277 1.00 0.00 C ATOM 372 CZ PHE A 26 10.408 21.303 -15.229 1.00 0.00 C ATOM 0 H PHE A 26 10.877 19.056 -10.767 1.00 0.00 H new ATOM 0 HA PHE A 26 13.450 19.135 -12.021 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.701 21.213 -10.657 1.00 0.00 H new ATOM 0 HB3 PHE A 26 13.231 21.599 -11.418 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.404 19.182 -13.538 1.00 0.00 H new ATOM 0 HD2 PHE A 26 10.822 22.948 -12.319 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.268 19.408 -15.703 1.00 0.00 H new ATOM 0 HE2 PHE A 26 9.687 23.171 -14.484 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.909 21.402 -16.182 1.00 0.00 H new ATOM 382 N LYS A 27 13.278 19.150 -8.793 1.00 0.00 N ATOM 383 CA LYS A 27 14.065 19.098 -7.567 1.00 0.00 C ATOM 384 C LYS A 27 14.656 17.712 -7.351 1.00 0.00 C ATOM 385 O LYS A 27 15.736 17.570 -6.774 1.00 0.00 O ATOM 386 CB LYS A 27 13.208 19.497 -6.364 1.00 0.00 C ATOM 387 CG LYS A 27 12.881 20.983 -6.290 1.00 0.00 C ATOM 388 CD LYS A 27 14.144 21.823 -6.184 1.00 0.00 C ATOM 389 CE LYS A 27 13.819 23.307 -6.118 1.00 0.00 C ATOM 390 NZ LYS A 27 15.048 24.146 -6.100 1.00 0.00 N ATOM 0 H LYS A 27 12.298 18.893 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 27 14.887 19.807 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.276 18.933 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.727 19.206 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.319 21.278 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.241 21.174 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.703 21.532 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.786 21.627 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.205 23.582 -6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.228 23.510 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.782 25.150 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.623 23.902 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.599 23.973 -6.965 1.00 0.00 H new ATOM 404 N LEU A 28 13.945 16.690 -7.815 1.00 0.00 N ATOM 405 CA LEU A 28 14.417 15.316 -7.707 1.00 0.00 C ATOM 406 C LEU A 28 15.835 15.175 -8.247 1.00 0.00 C ATOM 407 O LEU A 28 16.700 14.585 -7.599 1.00 0.00 O ATOM 408 CB LEU A 28 13.467 14.369 -8.453 1.00 0.00 C ATOM 409 CG LEU A 28 12.179 14.012 -7.701 1.00 0.00 C ATOM 410 CD1 LEU A 28 11.289 13.140 -8.576 1.00 0.00 C ATOM 411 CD2 LEU A 28 12.529 13.296 -6.404 1.00 0.00 C ATOM 0 H LEU A 28 13.038 16.789 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 28 14.431 15.046 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.198 14.826 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.003 13.448 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 28 11.633 14.924 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.377 12.892 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.033 13.680 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.819 12.223 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.613 13.042 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.082 12.384 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.143 13.948 -5.783 1.00 0.00 H new ATOM 423 N GLN A 29 16.068 15.722 -9.435 1.00 0.00 N ATOM 424 CA GLN A 29 17.360 15.597 -10.097 1.00 0.00 C ATOM 425 C GLN A 29 18.425 16.423 -9.387 1.00 0.00 C ATOM 426 O GLN A 29 19.620 16.160 -9.522 1.00 0.00 O ATOM 427 CB GLN A 29 17.259 16.034 -11.561 1.00 0.00 C ATOM 428 CG GLN A 29 16.809 17.472 -11.750 1.00 0.00 C ATOM 429 CD GLN A 29 16.520 17.802 -13.203 1.00 0.00 C ATOM 430 OE1 GLN A 29 16.735 16.977 -14.095 1.00 0.00 O ATOM 431 NE2 GLN A 29 16.034 19.014 -13.448 1.00 0.00 N ATOM 0 H GLN A 29 15.377 16.257 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 29 17.651 14.547 -10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.232 15.904 -12.036 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.561 15.375 -12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.914 17.651 -11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.581 18.144 -11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.872 19.664 -12.679 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.823 19.295 -14.406 1.00 0.00 H new ATOM 440 N ASN A 30 17.985 17.422 -8.630 1.00 0.00 N ATOM 441 CA ASN A 30 18.901 18.332 -7.953 1.00 0.00 C ATOM 442 C ASN A 30 18.951 18.052 -6.457 1.00 0.00 C ATOM 443 O ASN A 30 19.596 18.778 -5.701 1.00 0.00 O ATOM 444 CB ASN A 30 18.528 19.782 -8.204 1.00 0.00 C ATOM 445 CG ASN A 30 18.760 20.231 -9.620 1.00 0.00 C ATOM 446 OD1 ASN A 30 19.903 20.357 -10.072 1.00 0.00 O ATOM 447 ND2 ASN A 30 17.685 20.552 -10.294 1.00 0.00 N ATOM 0 H ASN A 30 16.998 17.622 -8.470 1.00 0.00 H new ATOM 0 HA ASN A 30 19.893 18.158 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.477 19.926 -7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 30 19.105 20.418 -7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.768 20.926 -11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.764 20.428 -9.874 1.00 0.00 H new ATOM 454 N THR A 31 18.267 16.994 -6.035 1.00 0.00 N ATOM 455 CA THR A 31 18.282 16.579 -4.637 1.00 0.00 C ATOM 456 C THR A 31 19.101 15.308 -4.449 1.00 0.00 C ATOM 457 O THR A 31 18.909 14.324 -5.162 1.00 0.00 O ATOM 458 CB THR A 31 16.858 16.345 -4.101 1.00 0.00 C ATOM 459 OG1 THR A 31 16.112 17.567 -4.168 1.00 0.00 O ATOM 460 CG2 THR A 31 16.903 15.860 -2.661 1.00 0.00 C ATOM 0 H THR A 31 17.694 16.407 -6.642 1.00 0.00 H new ATOM 0 HA THR A 31 18.742 17.391 -4.074 1.00 0.00 H new ATOM 0 HB THR A 31 16.376 15.584 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.089 17.886 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.887 15.700 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.458 14.923 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.396 16.608 -2.040 1.00 0.00 H new ATOM 468 N SER A 32 20.013 15.336 -3.483 1.00 0.00 N ATOM 469 CA SER A 32 20.901 14.206 -3.235 1.00 0.00 C ATOM 470 C SER A 32 20.163 13.070 -2.537 1.00 0.00 C ATOM 471 O SER A 32 19.113 13.279 -1.929 1.00 0.00 O ATOM 472 CB SER A 32 22.091 14.649 -2.408 1.00 0.00 C ATOM 473 OG SER A 32 21.722 15.015 -1.106 1.00 0.00 O ATOM 0 H SER A 32 20.157 16.130 -2.859 1.00 0.00 H new ATOM 0 HA SER A 32 21.256 13.835 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.822 13.841 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 32 22.578 15.493 -2.897 1.00 0.00 H new ATOM 0 HG SER A 32 22.518 15.292 -0.606 1.00 0.00 H new ATOM 479 N VAL A 33 20.719 11.867 -2.629 1.00 0.00 N ATOM 480 CA VAL A 33 20.103 10.691 -2.025 1.00 0.00 C ATOM 481 C VAL A 33 21.119 9.889 -1.221 1.00 0.00 C ATOM 482 O VAL A 33 22.317 10.164 -1.269 1.00 0.00 O ATOM 483 CB VAL A 33 19.468 9.776 -3.088 1.00 0.00 C ATOM 484 CG1 VAL A 33 18.362 10.510 -3.831 1.00 0.00 C ATOM 485 CG2 VAL A 33 20.523 9.279 -4.063 1.00 0.00 C ATOM 0 H VAL A 33 21.595 11.680 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 33 19.321 11.054 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 33 19.032 8.914 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.924 9.848 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.592 10.819 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.776 11.390 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.056 8.634 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.988 10.130 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.283 8.716 -3.521 1.00 0.00 H new ATOM 495 N GLN A 34 20.632 8.899 -0.481 1.00 0.00 N ATOM 496 CA GLN A 34 21.496 8.059 0.338 1.00 0.00 C ATOM 497 C GLN A 34 22.257 7.052 -0.516 1.00 0.00 C ATOM 498 O GLN A 34 21.863 6.758 -1.645 1.00 0.00 O ATOM 499 CB GLN A 34 20.675 7.319 1.399 1.00 0.00 C ATOM 500 CG GLN A 34 19.955 8.232 2.376 1.00 0.00 C ATOM 501 CD GLN A 34 20.910 9.115 3.156 1.00 0.00 C ATOM 502 OE1 GLN A 34 21.873 8.633 3.758 1.00 0.00 O ATOM 503 NE2 GLN A 34 20.648 10.418 3.151 1.00 0.00 N ATOM 0 H GLN A 34 19.642 8.659 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 34 22.218 8.710 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 34 19.940 6.688 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 34 21.336 6.657 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 34 19.249 8.858 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 34 19.373 7.628 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 34 19.840 10.774 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 34 21.255 11.062 3.659 1.00 0.00 H new ATOM 512 N LYS A 35 23.349 6.527 0.030 1.00 0.00 N ATOM 513 CA LYS A 35 24.202 5.600 -0.705 1.00 0.00 C ATOM 514 C LYS A 35 23.709 4.166 -0.563 1.00 0.00 C ATOM 515 O LYS A 35 24.293 3.240 -1.123 1.00 0.00 O ATOM 516 CB LYS A 35 25.650 5.709 -0.223 1.00 0.00 C ATOM 517 CG LYS A 35 26.306 7.055 -0.503 1.00 0.00 C ATOM 518 CD LYS A 35 27.739 7.088 0.009 1.00 0.00 C ATOM 519 CE LYS A 35 28.381 8.446 -0.228 1.00 0.00 C ATOM 520 NZ LYS A 35 29.786 8.491 0.260 1.00 0.00 N ATOM 0 H LYS A 35 23.664 6.728 0.979 1.00 0.00 H new ATOM 0 HA LYS A 35 24.158 5.871 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.678 5.521 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.239 4.925 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 35 26.296 7.251 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 35 25.729 7.849 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 35 27.752 6.859 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 35 28.323 6.315 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 35 28.360 8.676 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 35 27.797 9.216 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 30.186 9.434 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 29.805 8.297 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 30.350 7.774 -0.239 1.00 0.00 H new ATOM 534 N GLU A 36 22.629 3.990 0.192 1.00 0.00 N ATOM 535 CA GLU A 36 22.024 2.675 0.369 1.00 0.00 C ATOM 536 C GLU A 36 21.466 2.143 -0.945 1.00 0.00 C ATOM 537 O GLU A 36 21.526 0.944 -1.216 1.00 0.00 O ATOM 538 CB GLU A 36 20.919 2.731 1.426 1.00 0.00 C ATOM 539 CG GLU A 36 20.243 1.395 1.700 1.00 0.00 C ATOM 540 CD GLU A 36 21.200 0.415 2.318 1.00 0.00 C ATOM 541 OE1 GLU A 36 22.272 0.820 2.700 1.00 0.00 O ATOM 542 OE2 GLU A 36 20.820 -0.715 2.513 1.00 0.00 O ATOM 0 H GLU A 36 22.155 4.742 0.691 1.00 0.00 H new ATOM 0 HA GLU A 36 22.804 1.993 0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.342 3.108 2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.163 3.448 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.393 1.545 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.851 0.986 0.769 1.00 0.00 H new ATOM 549 N HIS A 37 20.924 3.044 -1.758 1.00 0.00 N ATOM 550 CA HIS A 37 20.325 2.663 -3.032 1.00 0.00 C ATOM 551 C HIS A 37 20.939 3.444 -4.186 1.00 0.00 C ATOM 552 O HIS A 37 21.668 4.412 -3.973 1.00 0.00 O ATOM 553 CB HIS A 37 18.808 2.879 -3.002 1.00 0.00 C ATOM 554 CG HIS A 37 18.110 2.101 -1.928 1.00 0.00 C ATOM 555 ND1 HIS A 37 17.788 0.767 -2.067 1.00 0.00 N ATOM 556 CD2 HIS A 37 17.672 2.471 -0.703 1.00 0.00 C ATOM 557 CE1 HIS A 37 17.183 0.349 -0.969 1.00 0.00 C ATOM 558 NE2 HIS A 37 17.100 1.363 -0.127 1.00 0.00 N ATOM 0 H HIS A 37 20.887 4.043 -1.557 1.00 0.00 H new ATOM 0 HA HIS A 37 20.529 1.604 -3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 37 18.604 3.940 -2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 37 18.391 2.600 -3.970 1.00 0.00 H new ATOM 0 HD2 HIS A 37 17.756 3.453 -0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.818 -0.652 -0.791 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.679 1.329 0.801 1.00 0.00 H new ATOM 566 N SER A 38 20.641 3.016 -5.408 1.00 0.00 N ATOM 567 CA SER A 38 21.120 3.707 -6.599 1.00 0.00 C ATOM 568 C SER A 38 20.327 4.982 -6.854 1.00 0.00 C ATOM 569 O SER A 38 19.212 5.141 -6.356 1.00 0.00 O ATOM 570 CB SER A 38 21.044 2.787 -7.802 1.00 0.00 C ATOM 571 OG SER A 38 19.720 2.488 -8.152 1.00 0.00 O ATOM 0 H SER A 38 20.070 2.193 -5.600 1.00 0.00 H new ATOM 0 HA SER A 38 22.160 3.989 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 38 21.546 3.255 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 38 21.579 1.863 -7.586 1.00 0.00 H new ATOM 0 HG SER A 38 19.714 1.895 -8.932 1.00 0.00 H new ATOM 577 N ARG A 39 20.906 5.888 -7.634 1.00 0.00 N ATOM 578 CA ARG A 39 20.251 7.147 -7.964 1.00 0.00 C ATOM 579 C ARG A 39 19.403 7.014 -9.222 1.00 0.00 C ATOM 580 O ARG A 39 19.899 6.622 -10.279 1.00 0.00 O ATOM 581 CB ARG A 39 21.241 8.297 -8.080 1.00 0.00 C ATOM 582 CG ARG A 39 20.615 9.653 -8.367 1.00 0.00 C ATOM 583 CD ARG A 39 21.582 10.781 -8.389 1.00 0.00 C ATOM 584 NE ARG A 39 20.972 12.095 -8.507 1.00 0.00 N ATOM 585 CZ ARG A 39 20.447 12.790 -7.480 1.00 0.00 C ATOM 586 NH1 ARG A 39 20.422 12.288 -6.265 1.00 0.00 N ATOM 587 NH2 ARG A 39 19.936 13.983 -7.729 1.00 0.00 N ATOM 0 H ARG A 39 21.830 5.773 -8.050 1.00 0.00 H new ATOM 0 HA ARG A 39 19.585 7.387 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 39 21.808 8.364 -7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 39 21.953 8.066 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 39 20.105 9.608 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.855 9.856 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 39 22.177 10.751 -7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 22.270 10.637 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 39 20.939 12.521 -9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.804 11.359 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.021 12.828 -5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.946 14.354 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.531 14.533 -6.971 1.00 0.00 H new ATOM 601 N ILE A 40 18.121 7.341 -9.102 1.00 0.00 N ATOM 602 CA ILE A 40 17.212 7.306 -10.242 1.00 0.00 C ATOM 603 C ILE A 40 17.708 8.201 -11.370 1.00 0.00 C ATOM 604 O ILE A 40 18.066 9.357 -11.147 1.00 0.00 O ATOM 605 CB ILE A 40 15.789 7.741 -9.844 1.00 0.00 C ATOM 606 CG1 ILE A 40 14.821 7.535 -11.012 1.00 0.00 C ATOM 607 CG2 ILE A 40 15.784 9.193 -9.392 1.00 0.00 C ATOM 608 CD1 ILE A 40 13.367 7.711 -10.638 1.00 0.00 C ATOM 0 H ILE A 40 17.687 7.633 -8.226 1.00 0.00 H new ATOM 0 HA ILE A 40 17.183 6.273 -10.588 1.00 0.00 H new ATOM 0 HB ILE A 40 15.457 7.122 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.070 8.239 -11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 40 14.963 6.533 -11.417 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.771 9.484 -9.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 16.443 9.309 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 40 16.134 9.828 -10.205 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.743 7.549 -11.517 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.100 6.989 -9.866 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.208 8.721 -10.261 1.00 0.00 H new ATOM 620 N PRO A 41 17.728 7.659 -12.583 1.00 0.00 N ATOM 621 CA PRO A 41 18.189 8.405 -13.748 1.00 0.00 C ATOM 622 C PRO A 41 17.423 9.712 -13.903 1.00 0.00 C ATOM 623 O PRO A 41 16.231 9.785 -13.600 1.00 0.00 O ATOM 624 CB PRO A 41 17.945 7.452 -14.923 1.00 0.00 C ATOM 625 CG PRO A 41 18.004 6.092 -14.317 1.00 0.00 C ATOM 626 CD PRO A 41 17.398 6.239 -12.946 1.00 0.00 C ATOM 0 HA PRO A 41 19.236 8.699 -13.674 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.978 7.637 -15.390 1.00 0.00 H new ATOM 0 HB3 PRO A 41 18.702 7.575 -15.698 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.449 5.370 -14.917 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.031 5.733 -14.256 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.322 6.065 -12.959 1.00 0.00 H new ATOM 0 HD3 PRO A 41 17.827 5.531 -12.237 1.00 0.00 H new ATOM 634 N ARG A 42 18.114 10.745 -14.375 1.00 0.00 N ATOM 635 CA ARG A 42 17.493 12.045 -14.597 1.00 0.00 C ATOM 636 C ARG A 42 16.424 11.967 -15.680 1.00 0.00 C ATOM 637 O ARG A 42 15.424 12.683 -15.632 1.00 0.00 O ATOM 638 CB ARG A 42 18.518 13.126 -14.902 1.00 0.00 C ATOM 639 CG ARG A 42 19.398 13.523 -13.727 1.00 0.00 C ATOM 640 CD ARG A 42 20.443 14.527 -14.056 1.00 0.00 C ATOM 641 NE ARG A 42 21.322 14.867 -12.948 1.00 0.00 N ATOM 642 CZ ARG A 42 22.416 15.645 -13.052 1.00 0.00 C ATOM 643 NH1 ARG A 42 22.791 16.136 -14.212 1.00 0.00 N ATOM 644 NH2 ARG A 42 23.118 15.884 -11.957 1.00 0.00 N ATOM 0 H ARG A 42 19.106 10.706 -14.611 1.00 0.00 H new ATOM 0 HA ARG A 42 17.004 12.330 -13.665 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.157 12.782 -15.716 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.994 14.012 -15.261 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.766 13.921 -12.933 1.00 0.00 H new ATOM 0 HG3 ARG A 42 19.881 12.629 -13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 42 21.048 14.147 -14.880 1.00 0.00 H new ATOM 0 HD3 ARG A 42 19.957 15.436 -14.410 1.00 0.00 H new ATOM 0 HE ARG A 42 21.094 14.490 -12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.250 15.929 -15.052 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.623 16.724 -14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.826 15.483 -11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.952 16.470 -12.003 1.00 0.00 H new ATOM 658 N SER A 43 16.644 11.096 -16.659 1.00 0.00 N ATOM 659 CA SER A 43 15.656 10.852 -17.703 1.00 0.00 C ATOM 660 C SER A 43 14.390 10.228 -17.129 1.00 0.00 C ATOM 661 O SER A 43 13.279 10.575 -17.530 1.00 0.00 O ATOM 662 CB SER A 43 16.244 9.960 -18.779 1.00 0.00 C ATOM 663 OG SER A 43 17.286 10.588 -19.472 1.00 0.00 O ATOM 0 H SER A 43 17.499 10.547 -16.751 1.00 0.00 H new ATOM 0 HA SER A 43 15.385 11.811 -18.145 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.613 9.040 -18.325 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.461 9.676 -19.482 1.00 0.00 H new ATOM 0 HG SER A 43 17.638 9.980 -20.155 1.00 0.00 H new ATOM 669 N GLN A 44 14.565 9.306 -16.190 1.00 0.00 N ATOM 670 CA GLN A 44 13.435 8.674 -15.517 1.00 0.00 C ATOM 671 C GLN A 44 12.650 9.685 -14.692 1.00 0.00 C ATOM 672 O GLN A 44 11.427 9.597 -14.586 1.00 0.00 O ATOM 673 CB GLN A 44 13.918 7.535 -14.614 1.00 0.00 C ATOM 674 CG GLN A 44 14.462 6.332 -15.366 1.00 0.00 C ATOM 675 CD GLN A 44 13.360 5.445 -15.913 1.00 0.00 C ATOM 676 OE1 GLN A 44 12.473 5.907 -16.635 1.00 0.00 O ATOM 677 NE2 GLN A 44 13.409 4.163 -15.567 1.00 0.00 N ATOM 0 H GLN A 44 15.479 8.979 -15.877 1.00 0.00 H new ATOM 0 HA GLN A 44 12.777 8.269 -16.285 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.694 7.916 -13.951 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.091 7.211 -13.983 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.090 6.675 -16.188 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.098 5.748 -14.701 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.162 3.825 -14.967 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.694 3.517 -15.901 1.00 0.00 H new ATOM 686 N ILE A 45 13.359 10.646 -14.109 1.00 0.00 N ATOM 687 CA ILE A 45 12.726 11.690 -13.314 1.00 0.00 C ATOM 688 C ILE A 45 11.840 12.580 -14.176 1.00 0.00 C ATOM 689 O ILE A 45 10.664 12.781 -13.874 1.00 0.00 O ATOM 690 CB ILE A 45 13.770 12.565 -12.595 1.00 0.00 C ATOM 691 CG1 ILE A 45 14.493 11.754 -11.516 1.00 0.00 C ATOM 692 CG2 ILE A 45 13.109 13.793 -11.989 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.708 12.447 -10.943 1.00 0.00 C ATOM 0 H ILE A 45 14.374 10.723 -14.173 1.00 0.00 H new ATOM 0 HA ILE A 45 12.112 11.186 -12.568 1.00 0.00 H new ATOM 0 HB ILE A 45 14.506 12.898 -13.327 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.794 11.538 -10.708 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.798 10.796 -11.938 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.861 14.400 -11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.639 14.380 -12.778 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.353 13.481 -11.269 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.166 11.811 -10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.427 12.638 -11.739 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.408 13.392 -10.490 1.00 0.00 H new ATOM 705 N GLN A 46 12.412 13.110 -15.253 1.00 0.00 N ATOM 706 CA GLN A 46 11.747 14.137 -16.045 1.00 0.00 C ATOM 707 C GLN A 46 10.575 13.556 -16.826 1.00 0.00 C ATOM 708 O GLN A 46 9.668 14.283 -17.234 1.00 0.00 O ATOM 709 CB GLN A 46 12.737 14.793 -17.011 1.00 0.00 C ATOM 710 CG GLN A 46 13.794 15.648 -16.334 1.00 0.00 C ATOM 711 CD GLN A 46 14.753 16.278 -17.327 1.00 0.00 C ATOM 712 OE1 GLN A 46 14.536 16.223 -18.541 1.00 0.00 O ATOM 713 NE2 GLN A 46 15.821 16.879 -16.817 1.00 0.00 N ATOM 0 H GLN A 46 13.335 12.844 -15.597 1.00 0.00 H new ATOM 0 HA GLN A 46 11.364 14.891 -15.357 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.232 14.014 -17.590 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.183 15.412 -17.717 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.307 16.433 -15.756 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.356 15.035 -15.629 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.960 16.900 -15.807 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.502 17.319 -17.435 1.00 0.00 H new ATOM 722 N ARG A 47 10.599 12.245 -17.031 1.00 0.00 N ATOM 723 CA ARG A 47 9.575 11.574 -17.823 1.00 0.00 C ATOM 724 C ARG A 47 8.603 10.809 -16.933 1.00 0.00 C ATOM 725 O ARG A 47 7.722 10.103 -17.422 1.00 0.00 O ATOM 726 CB ARG A 47 10.174 10.673 -18.894 1.00 0.00 C ATOM 727 CG ARG A 47 11.016 11.393 -19.936 1.00 0.00 C ATOM 728 CD ARG A 47 10.238 12.248 -20.867 1.00 0.00 C ATOM 729 NE ARG A 47 11.016 12.814 -21.958 1.00 0.00 N ATOM 730 CZ ARG A 47 10.515 13.613 -22.921 1.00 0.00 C ATOM 731 NH1 ARG A 47 9.235 13.914 -22.954 1.00 0.00 N ATOM 732 NH2 ARG A 47 11.341 14.070 -23.846 1.00 0.00 N ATOM 0 H ARG A 47 11.318 11.624 -16.659 1.00 0.00 H new ATOM 0 HA ARG A 47 9.014 12.351 -18.342 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.791 9.916 -18.409 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.365 10.148 -19.401 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.754 12.011 -19.425 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.567 10.652 -20.516 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.423 11.659 -21.286 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.785 13.061 -20.301 1.00 0.00 H new ATOM 0 HE ARG A 47 12.010 12.591 -21.997 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.605 13.541 -22.244 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.872 14.520 -23.690 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.328 13.816 -23.818 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.991 14.677 -24.587 1.00 0.00 H new ATOM 746 N ALA A 48 8.769 10.956 -15.622 1.00 0.00 N ATOM 747 CA ALA A 48 7.934 10.246 -14.661 1.00 0.00 C ATOM 748 C ALA A 48 6.548 10.870 -14.570 1.00 0.00 C ATOM 749 O ALA A 48 6.412 12.077 -14.368 1.00 0.00 O ATOM 750 CB ALA A 48 8.600 10.226 -13.293 1.00 0.00 C ATOM 0 H ALA A 48 9.475 11.561 -15.201 1.00 0.00 H new ATOM 0 HA ALA A 48 7.818 9.220 -15.009 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.964 9.692 -12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.564 9.723 -13.365 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.749 11.248 -12.946 1.00 0.00 H new ATOM 756 N ARG A 49 5.519 10.042 -14.719 1.00 0.00 N ATOM 757 CA ARG A 49 4.146 10.474 -14.487 1.00 0.00 C ATOM 758 C ARG A 49 3.817 10.491 -13.000 1.00 0.00 C ATOM 759 O ARG A 49 4.517 9.879 -12.193 1.00 0.00 O ATOM 760 CB ARG A 49 3.143 9.642 -15.271 1.00 0.00 C ATOM 761 CG ARG A 49 3.178 9.847 -16.776 1.00 0.00 C ATOM 762 CD ARG A 49 2.106 9.134 -17.517 1.00 0.00 C ATOM 763 NE ARG A 49 2.105 9.370 -18.952 1.00 0.00 N ATOM 764 CZ ARG A 49 1.203 8.857 -19.811 1.00 0.00 C ATOM 765 NH1 ARG A 49 0.252 8.050 -19.394 1.00 0.00 N ATOM 766 NH2 ARG A 49 1.314 9.166 -21.092 1.00 0.00 N ATOM 0 H ARG A 49 5.611 9.066 -15.000 1.00 0.00 H new ATOM 0 HA ARG A 49 4.065 11.496 -14.857 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.322 8.588 -15.058 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.141 9.874 -14.911 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.101 10.914 -16.987 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.146 9.516 -17.153 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.208 8.064 -17.338 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.140 9.434 -17.111 1.00 0.00 H new ATOM 0 HE ARG A 49 2.839 9.966 -19.335 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.189 7.803 -18.406 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.423 7.671 -20.058 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.068 9.778 -21.406 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.646 8.793 -21.766 1.00 0.00 H new ATOM 780 N PRO A 50 2.749 11.195 -12.643 1.00 0.00 N ATOM 781 CA PRO A 50 2.311 11.272 -11.255 1.00 0.00 C ATOM 782 C PRO A 50 2.153 9.883 -10.650 1.00 0.00 C ATOM 783 O PRO A 50 2.424 9.677 -9.466 1.00 0.00 O ATOM 784 CB PRO A 50 0.978 12.025 -11.324 1.00 0.00 C ATOM 785 CG PRO A 50 1.096 12.878 -12.541 1.00 0.00 C ATOM 786 CD PRO A 50 1.876 12.054 -13.531 1.00 0.00 C ATOM 0 HA PRO A 50 3.031 11.779 -10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.136 11.337 -11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.816 12.628 -10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.114 13.139 -12.935 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.609 13.813 -12.317 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.221 11.450 -14.159 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.470 12.679 -14.198 1.00 0.00 H new ATOM 794 N VAL A 51 1.714 8.933 -11.468 1.00 0.00 N ATOM 795 CA VAL A 51 1.558 7.552 -11.025 1.00 0.00 C ATOM 796 C VAL A 51 2.853 6.769 -11.194 1.00 0.00 C ATOM 797 O VAL A 51 3.281 6.055 -10.287 1.00 0.00 O ATOM 798 CB VAL A 51 0.432 6.837 -11.793 1.00 0.00 C ATOM 799 CG1 VAL A 51 0.372 5.367 -11.404 1.00 0.00 C ATOM 800 CG2 VAL A 51 -0.906 7.511 -11.530 1.00 0.00 C ATOM 0 H VAL A 51 1.460 9.094 -12.443 1.00 0.00 H new ATOM 0 HA VAL A 51 1.297 7.589 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 51 0.648 6.904 -12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.430 4.877 -11.956 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.322 4.889 -11.642 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.181 5.281 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.690 6.992 -12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.128 7.475 -10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.860 8.550 -11.856 1.00 0.00 H new ATOM 810 N LYS A 52 3.474 6.907 -12.361 1.00 0.00 N ATOM 811 CA LYS A 52 4.683 6.157 -12.679 1.00 0.00 C ATOM 812 C LYS A 52 5.814 6.506 -11.719 1.00 0.00 C ATOM 813 O LYS A 52 6.614 5.646 -11.349 1.00 0.00 O ATOM 814 CB LYS A 52 5.116 6.425 -14.121 1.00 0.00 C ATOM 815 CG LYS A 52 6.327 5.621 -14.573 1.00 0.00 C ATOM 816 CD LYS A 52 6.639 5.870 -16.042 1.00 0.00 C ATOM 817 CE LYS A 52 7.829 5.041 -16.504 1.00 0.00 C ATOM 818 NZ LYS A 52 8.108 5.228 -17.954 1.00 0.00 N ATOM 0 H LYS A 52 3.159 7.532 -13.103 1.00 0.00 H new ATOM 0 HA LYS A 52 4.457 5.096 -12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.280 6.205 -14.785 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.339 7.486 -14.229 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.191 5.888 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.141 4.559 -14.413 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.766 5.626 -16.648 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.849 6.928 -16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.711 5.319 -15.926 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.636 3.987 -16.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.925 4.646 -18.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.276 4.939 -18.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.318 6.229 -18.141 1.00 0.00 H new ATOM 832 N MET A 53 5.876 7.772 -11.320 1.00 0.00 N ATOM 833 CA MET A 53 6.942 8.249 -10.446 1.00 0.00 C ATOM 834 C MET A 53 6.972 7.468 -9.138 1.00 0.00 C ATOM 835 O MET A 53 8.036 7.075 -8.662 1.00 0.00 O ATOM 836 CB MET A 53 6.768 9.740 -10.169 1.00 0.00 C ATOM 837 CG MET A 53 7.892 10.363 -9.352 1.00 0.00 C ATOM 838 SD MET A 53 7.637 12.122 -9.046 1.00 0.00 S ATOM 839 CE MET A 53 8.056 12.808 -10.647 1.00 0.00 C ATOM 0 H MET A 53 5.200 8.487 -11.588 1.00 0.00 H new ATOM 0 HA MET A 53 7.893 8.091 -10.954 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.691 10.267 -11.120 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.825 9.892 -9.643 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.975 9.841 -8.399 1.00 0.00 H new ATOM 0 HG3 MET A 53 8.837 10.223 -9.876 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.879 13.884 -10.640 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.107 12.615 -10.862 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.437 12.344 -11.415 1.00 0.00 H new ATOM 849 N ALA A 54 5.796 7.247 -8.560 1.00 0.00 N ATOM 850 CA ALA A 54 5.682 6.492 -7.319 1.00 0.00 C ATOM 851 C ALA A 54 6.285 5.101 -7.463 1.00 0.00 C ATOM 852 O ALA A 54 7.013 4.635 -6.586 1.00 0.00 O ATOM 853 CB ALA A 54 4.226 6.400 -6.885 1.00 0.00 C ATOM 0 H ALA A 54 4.907 7.581 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 54 6.243 7.022 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.158 5.833 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.829 7.403 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.646 5.898 -7.660 1.00 0.00 H new ATOM 859 N THR A 55 5.978 4.440 -8.575 1.00 0.00 N ATOM 860 CA THR A 55 6.526 3.119 -8.858 1.00 0.00 C ATOM 861 C THR A 55 8.037 3.176 -9.034 1.00 0.00 C ATOM 862 O THR A 55 8.764 2.321 -8.528 1.00 0.00 O ATOM 863 CB THR A 55 5.894 2.504 -10.120 1.00 0.00 C ATOM 864 OG1 THR A 55 4.486 2.328 -9.915 1.00 0.00 O ATOM 865 CG2 THR A 55 6.529 1.157 -10.431 1.00 0.00 C ATOM 0 H THR A 55 5.352 4.799 -9.296 1.00 0.00 H new ATOM 0 HA THR A 55 6.287 2.490 -8.001 1.00 0.00 H new ATOM 0 HB THR A 55 6.065 3.178 -10.960 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.085 1.938 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.070 0.737 -11.326 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.598 1.289 -10.599 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.374 0.479 -9.591 1.00 0.00 H new ATOM 873 N LEU A 56 8.506 4.189 -9.756 1.00 0.00 N ATOM 874 CA LEU A 56 9.931 4.348 -10.016 1.00 0.00 C ATOM 875 C LEU A 56 10.709 4.546 -8.721 1.00 0.00 C ATOM 876 O LEU A 56 11.772 3.955 -8.528 1.00 0.00 O ATOM 877 CB LEU A 56 10.167 5.530 -10.965 1.00 0.00 C ATOM 878 CG LEU A 56 9.693 5.314 -12.407 1.00 0.00 C ATOM 879 CD1 LEU A 56 9.810 6.611 -13.196 1.00 0.00 C ATOM 880 CD2 LEU A 56 10.519 4.212 -13.055 1.00 0.00 C ATOM 0 H LEU A 56 7.919 4.912 -10.171 1.00 0.00 H new ATOM 0 HA LEU A 56 10.293 3.435 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.661 6.407 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.233 5.756 -10.980 1.00 0.00 H new ATOM 0 HG LEU A 56 8.646 5.011 -12.403 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.471 6.447 -14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.193 7.378 -12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.850 6.938 -13.207 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.181 4.059 -14.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.570 4.500 -13.058 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.398 3.287 -12.491 1.00 0.00 H new ATOM 892 N LEU A 57 10.174 5.379 -7.836 1.00 0.00 N ATOM 893 CA LEU A 57 10.838 5.689 -6.576 1.00 0.00 C ATOM 894 C LEU A 57 10.934 4.456 -5.686 1.00 0.00 C ATOM 895 O LEU A 57 11.953 4.225 -5.037 1.00 0.00 O ATOM 896 CB LEU A 57 10.094 6.816 -5.848 1.00 0.00 C ATOM 897 CG LEU A 57 10.188 8.196 -6.512 1.00 0.00 C ATOM 898 CD1 LEU A 57 9.258 9.177 -5.812 1.00 0.00 C ATOM 899 CD2 LEU A 57 11.627 8.687 -6.462 1.00 0.00 C ATOM 0 H LEU A 57 9.280 5.853 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 57 11.852 6.021 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.042 6.541 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.485 6.891 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 57 9.880 8.120 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.332 10.153 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.231 8.817 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.544 9.264 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.694 9.667 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.950 8.761 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.270 7.985 -6.993 1.00 0.00 H new ATOM 911 N VAL A 58 9.865 3.668 -5.660 1.00 0.00 N ATOM 912 CA VAL A 58 9.835 2.443 -4.869 1.00 0.00 C ATOM 913 C VAL A 58 10.711 1.364 -5.491 1.00 0.00 C ATOM 914 O VAL A 58 11.226 0.490 -4.794 1.00 0.00 O ATOM 915 CB VAL A 58 8.401 1.902 -4.716 1.00 0.00 C ATOM 916 CG1 VAL A 58 8.417 0.526 -4.067 1.00 0.00 C ATOM 917 CG2 VAL A 58 7.552 2.866 -3.901 1.00 0.00 C ATOM 0 H VAL A 58 9.007 3.856 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 58 10.223 2.698 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 58 7.960 1.809 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.396 0.159 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.991 -0.162 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.876 0.594 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.542 2.468 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.991 2.990 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.514 3.832 -4.404 1.00 0.00 H new ATOM 927 N THR A 59 10.876 1.430 -6.808 1.00 0.00 N ATOM 928 CA THR A 59 11.742 0.497 -7.519 1.00 0.00 C ATOM 929 C THR A 59 13.212 0.794 -7.249 1.00 0.00 C ATOM 930 O THR A 59 13.981 -0.102 -6.900 1.00 0.00 O ATOM 931 CB THR A 59 11.492 0.539 -9.038 1.00 0.00 C ATOM 932 OG1 THR A 59 10.150 0.119 -9.316 1.00 0.00 O ATOM 933 CG2 THR A 59 12.466 -0.374 -9.765 1.00 0.00 C ATOM 0 H THR A 59 10.421 2.121 -7.405 1.00 0.00 H new ATOM 0 HA THR A 59 11.501 -0.499 -7.147 1.00 0.00 H new ATOM 0 HB THR A 59 11.640 1.561 -9.387 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.526 0.834 -9.072 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.274 -0.331 -10.837 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.487 -0.049 -9.566 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.336 -1.398 -9.414 1.00 0.00 H new ATOM 941 N TYR A 60 13.596 2.055 -7.412 1.00 0.00 N ATOM 942 CA TYR A 60 14.996 2.447 -7.320 1.00 0.00 C ATOM 943 C TYR A 60 15.435 2.593 -5.869 1.00 0.00 C ATOM 944 O TYR A 60 16.599 2.370 -5.537 1.00 0.00 O ATOM 945 CB TYR A 60 15.235 3.757 -8.075 1.00 0.00 C ATOM 946 CG TYR A 60 15.299 3.597 -9.578 1.00 0.00 C ATOM 947 CD1 TYR A 60 16.386 2.982 -10.182 1.00 0.00 C ATOM 948 CD2 TYR A 60 14.273 4.060 -10.389 1.00 0.00 C ATOM 949 CE1 TYR A 60 16.450 2.833 -11.554 1.00 0.00 C ATOM 950 CE2 TYR A 60 14.326 3.916 -11.761 1.00 0.00 C ATOM 951 CZ TYR A 60 15.417 3.301 -12.340 1.00 0.00 C ATOM 952 OH TYR A 60 15.476 3.155 -13.708 1.00 0.00 O ATOM 0 H TYR A 60 12.956 2.824 -7.609 1.00 0.00 H new ATOM 0 HA TYR A 60 15.593 1.658 -7.778 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.437 4.458 -7.828 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.168 4.200 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 60 17.196 2.614 -9.569 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.418 4.542 -9.939 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.304 2.353 -12.009 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.518 4.283 -12.377 1.00 0.00 H new ATOM 0 HH TYR A 60 15.068 2.302 -13.964 1.00 0.00 H new ATOM 962 N TYR A 61 14.495 2.969 -5.007 1.00 0.00 N ATOM 963 CA TYR A 61 14.800 3.224 -3.605 1.00 0.00 C ATOM 964 C TYR A 61 13.991 2.312 -2.691 1.00 0.00 C ATOM 965 O TYR A 61 13.074 1.625 -3.138 1.00 0.00 O ATOM 966 CB TYR A 61 14.530 4.689 -3.257 1.00 0.00 C ATOM 967 CG TYR A 61 15.298 5.674 -4.111 1.00 0.00 C ATOM 968 CD1 TYR A 61 16.593 6.042 -3.782 1.00 0.00 C ATOM 969 CD2 TYR A 61 14.723 6.234 -5.243 1.00 0.00 C ATOM 970 CE1 TYR A 61 17.299 6.941 -4.557 1.00 0.00 C ATOM 971 CE2 TYR A 61 15.420 7.134 -6.027 1.00 0.00 C ATOM 972 CZ TYR A 61 16.708 7.485 -5.680 1.00 0.00 C ATOM 973 OH TYR A 61 17.406 8.381 -6.457 1.00 0.00 O ATOM 0 H TYR A 61 13.515 3.104 -5.256 1.00 0.00 H new ATOM 0 HA TYR A 61 15.858 3.012 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.463 4.887 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.783 4.856 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 61 17.058 5.618 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.714 5.962 -5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 61 18.307 7.217 -4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.959 7.560 -6.906 1.00 0.00 H new ATOM 0 HH TYR A 61 16.959 9.253 -6.433 1.00 0.00 H new ATOM 983 N GLY A 62 14.338 2.311 -1.408 1.00 0.00 N ATOM 984 CA GLY A 62 13.648 1.479 -0.430 1.00 0.00 C ATOM 985 C GLY A 62 12.280 2.053 -0.086 1.00 0.00 C ATOM 986 O GLY A 62 11.899 3.115 -0.579 1.00 0.00 O ATOM 0 H GLY A 62 15.093 2.877 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.533 0.469 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.251 1.401 0.475 1.00 0.00 H new ATOM 990 N GLU A 63 11.544 1.346 0.765 1.00 0.00 N ATOM 991 CA GLU A 63 10.193 1.755 1.134 1.00 0.00 C ATOM 992 C GLU A 63 10.208 3.053 1.930 1.00 0.00 C ATOM 993 O GLU A 63 9.360 3.923 1.733 1.00 0.00 O ATOM 994 CB GLU A 63 9.500 0.652 1.938 1.00 0.00 C ATOM 995 CG GLU A 63 9.158 -0.593 1.132 1.00 0.00 C ATOM 996 CD GLU A 63 8.613 -1.681 2.015 1.00 0.00 C ATOM 997 OE1 GLU A 63 8.583 -1.494 3.207 1.00 0.00 O ATOM 998 OE2 GLU A 63 8.123 -2.654 1.490 1.00 0.00 O ATOM 0 H GLU A 63 11.861 0.486 1.213 1.00 0.00 H new ATOM 0 HA GLU A 63 9.634 1.927 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.144 0.366 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.583 1.054 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.425 -0.343 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.049 -0.952 0.617 1.00 0.00 H new ATOM 1005 N GLU A 64 11.177 3.177 2.831 1.00 0.00 N ATOM 1006 CA GLU A 64 11.301 4.367 3.664 1.00 0.00 C ATOM 1007 C GLU A 64 12.152 5.430 2.982 1.00 0.00 C ATOM 1008 O GLU A 64 12.053 6.616 3.298 1.00 0.00 O ATOM 1009 CB GLU A 64 11.898 4.009 5.025 1.00 0.00 C ATOM 1010 CG GLU A 64 11.026 3.094 5.873 1.00 0.00 C ATOM 1011 CD GLU A 64 11.689 2.766 7.183 1.00 0.00 C ATOM 1012 OE1 GLU A 64 12.766 3.257 7.420 1.00 0.00 O ATOM 1013 OE2 GLU A 64 11.069 2.118 7.994 1.00 0.00 O ATOM 0 H GLU A 64 11.889 2.467 3.003 1.00 0.00 H new ATOM 0 HA GLU A 64 10.301 4.775 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.864 3.528 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.085 4.929 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.065 3.574 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.822 2.174 5.326 1.00 0.00 H new ATOM 1020 N TYR A 65 12.990 4.999 2.045 1.00 0.00 N ATOM 1021 CA TYR A 65 13.900 5.905 1.355 1.00 0.00 C ATOM 1022 C TYR A 65 13.184 6.671 0.250 1.00 0.00 C ATOM 1023 O TYR A 65 13.458 7.849 0.020 1.00 0.00 O ATOM 1024 CB TYR A 65 15.087 5.132 0.774 1.00 0.00 C ATOM 1025 CG TYR A 65 16.049 4.610 1.817 1.00 0.00 C ATOM 1026 CD1 TYR A 65 17.090 5.399 2.282 1.00 0.00 C ATOM 1027 CD2 TYR A 65 15.915 3.329 2.333 1.00 0.00 C ATOM 1028 CE1 TYR A 65 17.972 4.928 3.236 1.00 0.00 C ATOM 1029 CE2 TYR A 65 16.791 2.848 3.287 1.00 0.00 C ATOM 1030 CZ TYR A 65 17.819 3.652 3.736 1.00 0.00 C ATOM 1031 OH TYR A 65 18.696 3.177 4.684 1.00 0.00 O ATOM 0 H TYR A 65 13.058 4.026 1.746 1.00 0.00 H new ATOM 0 HA TYR A 65 14.269 6.626 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.710 4.293 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.629 5.781 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.214 6.399 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 65 15.112 2.697 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 65 18.777 5.556 3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 65 16.672 1.849 3.679 1.00 0.00 H new ATOM 0 HH TYR A 65 18.447 2.262 4.931 1.00 0.00 H new ATOM 1041 N ALA A 66 12.265 5.996 -0.431 1.00 0.00 N ATOM 1042 CA ALA A 66 11.428 6.641 -1.435 1.00 0.00 C ATOM 1043 C ALA A 66 10.513 7.683 -0.803 1.00 0.00 C ATOM 1044 O ALA A 66 10.318 8.766 -1.352 1.00 0.00 O ATOM 1045 CB ALA A 66 10.611 5.603 -2.191 1.00 0.00 C ATOM 0 H ALA A 66 12.081 5.001 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 66 12.082 7.153 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.991 6.101 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.283 4.902 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.973 5.062 -1.492 1.00 0.00 H new ATOM 1051 N VAL A 67 9.954 7.347 0.355 1.00 0.00 N ATOM 1052 CA VAL A 67 9.071 8.258 1.072 1.00 0.00 C ATOM 1053 C VAL A 67 9.845 9.439 1.645 1.00 0.00 C ATOM 1054 O VAL A 67 9.416 10.587 1.536 1.00 0.00 O ATOM 1055 CB VAL A 67 8.327 7.543 2.215 1.00 0.00 C ATOM 1056 CG1 VAL A 67 7.591 8.551 3.086 1.00 0.00 C ATOM 1057 CG2 VAL A 67 7.355 6.515 1.655 1.00 0.00 C ATOM 0 H VAL A 67 10.098 6.449 0.817 1.00 0.00 H new ATOM 0 HA VAL A 67 8.342 8.622 0.348 1.00 0.00 H new ATOM 0 HB VAL A 67 9.061 7.025 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.071 8.027 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.307 9.253 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.867 9.096 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.837 6.019 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.627 7.014 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.904 5.775 1.072 1.00 0.00 H new ATOM 1067 N GLN A 68 10.990 9.149 2.256 1.00 0.00 N ATOM 1068 CA GLN A 68 11.841 10.189 2.820 1.00 0.00 C ATOM 1069 C GLN A 68 12.251 11.202 1.759 1.00 0.00 C ATOM 1070 O GLN A 68 12.148 12.411 1.968 1.00 0.00 O ATOM 1071 CB GLN A 68 13.091 9.573 3.455 1.00 0.00 C ATOM 1072 CG GLN A 68 14.027 10.584 4.094 1.00 0.00 C ATOM 1073 CD GLN A 68 15.223 9.926 4.757 1.00 0.00 C ATOM 1074 OE1 GLN A 68 15.405 8.708 4.674 1.00 0.00 O ATOM 1075 NE2 GLN A 68 16.046 10.728 5.422 1.00 0.00 N ATOM 0 H GLN A 68 11.349 8.201 2.373 1.00 0.00 H new ATOM 0 HA GLN A 68 11.266 10.706 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.783 8.851 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.638 9.020 2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.375 11.284 3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 68 13.478 11.165 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.858 11.730 5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.867 10.343 5.890 1.00 0.00 H new ATOM 1084 N LEU A 69 12.714 10.702 0.618 1.00 0.00 N ATOM 1085 CA LEU A 69 13.100 11.562 -0.494 1.00 0.00 C ATOM 1086 C LEU A 69 11.946 12.458 -0.925 1.00 0.00 C ATOM 1087 O LEU A 69 12.092 13.676 -1.015 1.00 0.00 O ATOM 1088 CB LEU A 69 13.588 10.714 -1.675 1.00 0.00 C ATOM 1089 CG LEU A 69 13.954 11.503 -2.939 1.00 0.00 C ATOM 1090 CD1 LEU A 69 15.093 12.469 -2.639 1.00 0.00 C ATOM 1091 CD2 LEU A 69 14.346 10.536 -4.047 1.00 0.00 C ATOM 0 H LEU A 69 12.831 9.705 0.439 1.00 0.00 H new ATOM 0 HA LEU A 69 13.915 12.204 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.461 10.144 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.812 9.992 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 69 13.092 12.083 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.346 13.025 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.784 13.165 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.965 11.909 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.606 11.097 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.204 9.945 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.509 9.872 -4.264 1.00 0.00 H new ATOM 1103 N THR A 70 10.796 11.845 -1.191 1.00 0.00 N ATOM 1104 CA THR A 70 9.608 12.587 -1.595 1.00 0.00 C ATOM 1105 C THR A 70 9.253 13.656 -0.570 1.00 0.00 C ATOM 1106 O THR A 70 8.982 14.803 -0.923 1.00 0.00 O ATOM 1107 CB THR A 70 8.399 11.655 -1.790 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.655 10.756 -2.877 1.00 0.00 O ATOM 1109 CG2 THR A 70 7.146 12.463 -2.090 1.00 0.00 C ATOM 0 H THR A 70 10.663 10.835 -1.134 1.00 0.00 H new ATOM 0 HA THR A 70 9.843 13.064 -2.546 1.00 0.00 H new ATOM 0 HB THR A 70 8.243 11.090 -0.871 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.208 10.011 -2.562 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.301 11.788 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.941 13.139 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.296 13.043 -3.001 1.00 0.00 H new ATOM 1117 N LEU A 71 9.256 13.273 0.703 1.00 0.00 N ATOM 1118 CA LEU A 71 8.894 14.188 1.779 1.00 0.00 C ATOM 1119 C LEU A 71 9.768 15.435 1.759 1.00 0.00 C ATOM 1120 O LEU A 71 9.269 16.556 1.856 1.00 0.00 O ATOM 1121 CB LEU A 71 9.004 13.481 3.136 1.00 0.00 C ATOM 1122 CG LEU A 71 8.376 14.231 4.316 1.00 0.00 C ATOM 1123 CD1 LEU A 71 8.194 13.287 5.498 1.00 0.00 C ATOM 1124 CD2 LEU A 71 9.259 15.409 4.699 1.00 0.00 C ATOM 0 H LEU A 71 9.505 12.334 1.014 1.00 0.00 H new ATOM 0 HA LEU A 71 7.861 14.500 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.532 12.502 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.058 13.310 3.354 1.00 0.00 H new ATOM 0 HG LEU A 71 7.395 14.608 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.747 13.829 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.541 12.464 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.164 12.892 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.811 15.942 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.246 15.046 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.353 16.085 3.849 1.00 0.00 H new ATOM 1136 N GLN A 72 11.076 15.233 1.633 1.00 0.00 N ATOM 1137 CA GLN A 72 12.028 16.337 1.667 1.00 0.00 C ATOM 1138 C GLN A 72 11.832 17.271 0.479 1.00 0.00 C ATOM 1139 O GLN A 72 11.939 18.490 0.613 1.00 0.00 O ATOM 1140 CB GLN A 72 13.464 15.806 1.675 1.00 0.00 C ATOM 1141 CG GLN A 72 13.882 15.161 2.986 1.00 0.00 C ATOM 1142 CD GLN A 72 15.278 14.574 2.922 1.00 0.00 C ATOM 1143 OE1 GLN A 72 15.914 14.559 1.864 1.00 0.00 O ATOM 1144 NE2 GLN A 72 15.764 14.081 4.056 1.00 0.00 N ATOM 0 H GLN A 72 11.501 14.314 1.506 1.00 0.00 H new ATOM 0 HA GLN A 72 11.848 16.901 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.574 15.076 0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.145 16.628 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.839 15.903 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.172 14.375 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.204 14.114 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.697 13.670 4.075 1.00 0.00 H new ATOM 1153 N VAL A 73 11.546 16.692 -0.681 1.00 0.00 N ATOM 1154 CA VAL A 73 11.345 17.471 -1.897 1.00 0.00 C ATOM 1155 C VAL A 73 10.029 18.236 -1.850 1.00 0.00 C ATOM 1156 O VAL A 73 9.933 19.357 -2.349 1.00 0.00 O ATOM 1157 CB VAL A 73 11.362 16.576 -3.151 1.00 0.00 C ATOM 1158 CG1 VAL A 73 11.003 17.385 -4.388 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.726 15.924 -3.321 1.00 0.00 C ATOM 0 H VAL A 73 11.448 15.684 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 73 12.172 18.179 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 73 10.617 15.791 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.020 16.737 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.006 17.808 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.726 18.190 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.720 15.295 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.488 16.696 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.948 15.312 -2.447 1.00 0.00 H new ATOM 1169 N LEU A 74 9.015 17.624 -1.248 1.00 0.00 N ATOM 1170 CA LEU A 74 7.731 18.284 -1.049 1.00 0.00 C ATOM 1171 C LEU A 74 7.894 19.589 -0.282 1.00 0.00 C ATOM 1172 O LEU A 74 7.292 20.605 -0.629 1.00 0.00 O ATOM 1173 CB LEU A 74 6.763 17.349 -0.312 1.00 0.00 C ATOM 1174 CG LEU A 74 6.196 16.199 -1.154 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.446 15.219 -0.263 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.279 16.762 -2.230 1.00 0.00 C ATOM 0 H LEU A 74 9.058 16.670 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 74 7.318 18.521 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.278 16.927 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.932 17.941 0.071 1.00 0.00 H new ATOM 0 HG LEU A 74 7.014 15.663 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.047 14.407 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.127 14.813 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.626 15.735 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.876 15.945 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.460 17.307 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.844 17.438 -2.872 1.00 0.00 H new ATOM 1188 N ARG A 75 8.713 19.555 0.765 1.00 0.00 N ATOM 1189 CA ARG A 75 9.030 20.756 1.528 1.00 0.00 C ATOM 1190 C ARG A 75 9.801 21.761 0.681 1.00 0.00 C ATOM 1191 O ARG A 75 9.643 22.971 0.838 1.00 0.00 O ATOM 1192 CB ARG A 75 9.766 20.438 2.821 1.00 0.00 C ATOM 1193 CG ARG A 75 8.926 19.742 3.881 1.00 0.00 C ATOM 1194 CD ARG A 75 9.661 19.419 5.130 1.00 0.00 C ATOM 1195 NE ARG A 75 8.850 18.793 6.162 1.00 0.00 N ATOM 1196 CZ ARG A 75 9.324 18.345 7.341 1.00 0.00 C ATOM 1197 NH1 ARG A 75 10.605 18.416 7.627 1.00 0.00 N ATOM 1198 NH2 ARG A 75 8.470 17.808 8.194 1.00 0.00 N ATOM 0 H ARG A 75 9.169 18.708 1.104 1.00 0.00 H new ATOM 0 HA ARG A 75 8.082 21.214 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.625 19.809 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.155 21.367 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.075 20.377 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.524 18.820 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.492 18.757 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.092 20.337 5.531 1.00 0.00 H new ATOM 0 HE ARG A 75 7.852 18.685 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.257 18.815 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.947 18.072 8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.481 17.741 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.799 17.460 9.094 1.00 0.00 H new ATOM 1212 N ALA A 76 10.635 21.251 -0.219 1.00 0.00 N ATOM 1213 CA ALA A 76 11.441 22.102 -1.086 1.00 0.00 C ATOM 1214 C ALA A 76 10.567 22.867 -2.072 1.00 0.00 C ATOM 1215 O ALA A 76 10.932 23.950 -2.529 1.00 0.00 O ATOM 1216 CB ALA A 76 12.480 21.272 -1.827 1.00 0.00 C ATOM 0 H ALA A 76 10.770 20.251 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 76 11.957 22.830 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.074 21.922 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.133 20.779 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.978 20.520 -2.436 1.00 0.00 H new ATOM 1222 N ILE A 77 9.411 22.298 -2.395 1.00 0.00 N ATOM 1223 CA ILE A 77 8.509 22.898 -3.371 1.00 0.00 C ATOM 1224 C ILE A 77 7.301 23.528 -2.691 1.00 0.00 C ATOM 1225 O ILE A 77 6.252 23.708 -3.310 1.00 0.00 O ATOM 1226 CB ILE A 77 8.024 21.862 -4.402 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.237 20.746 -3.709 1.00 0.00 C ATOM 1228 CG2 ILE A 77 9.202 21.287 -5.174 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.495 19.839 -4.663 1.00 0.00 C ATOM 0 H ILE A 77 9.076 21.421 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 77 9.075 23.673 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 77 7.362 22.361 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.924 20.146 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.522 21.193 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.841 20.557 -5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.721 22.090 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.889 20.802 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.962 19.074 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.782 20.425 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.205 19.362 -5.338 1.00 0.00 H new ATOM 1241 N ASN A 78 7.454 23.862 -1.414 1.00 0.00 N ATOM 1242 CA ASN A 78 6.432 24.607 -0.689 1.00 0.00 C ATOM 1243 C ASN A 78 5.161 23.784 -0.529 1.00 0.00 C ATOM 1244 O ASN A 78 4.053 24.294 -0.703 1.00 0.00 O ATOM 1245 CB ASN A 78 6.120 25.927 -1.368 1.00 0.00 C ATOM 1246 CG ASN A 78 7.248 26.919 -1.308 1.00 0.00 C ATOM 1247 OD1 ASN A 78 8.088 26.881 -0.402 1.00 0.00 O ATOM 1248 ND2 ASN A 78 7.225 27.858 -2.221 1.00 0.00 N ATOM 0 H ASN A 78 8.277 23.628 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 78 6.832 24.821 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.869 25.738 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.237 26.365 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.922 28.603 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.510 27.845 -2.949 1.00 0.00 H new ATOM 1255 N GLN A 79 5.325 22.508 -0.196 1.00 0.00 N ATOM 1256 CA GLN A 79 4.193 21.649 0.131 1.00 0.00 C ATOM 1257 C GLN A 79 4.424 20.912 1.444 1.00 0.00 C ATOM 1258 O GLN A 79 4.590 19.692 1.462 1.00 0.00 O ATOM 1259 CB GLN A 79 3.944 20.639 -0.991 1.00 0.00 C ATOM 1260 CG GLN A 79 3.510 21.264 -2.306 1.00 0.00 C ATOM 1261 CD GLN A 79 2.126 21.878 -2.227 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.332 21.542 -1.344 1.00 0.00 O ATOM 1263 NE2 GLN A 79 1.827 22.782 -3.153 1.00 0.00 N ATOM 0 H GLN A 79 6.233 22.045 -0.145 1.00 0.00 H new ATOM 0 HA GLN A 79 3.315 22.286 0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.856 20.066 -1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.179 19.934 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.229 22.031 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.523 20.504 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.514 23.030 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.910 23.229 -3.152 1.00 0.00 H new ATOM 1272 N ARG A 80 4.431 21.660 2.543 1.00 0.00 N ATOM 1273 CA ARG A 80 4.570 21.071 3.869 1.00 0.00 C ATOM 1274 C ARG A 80 3.348 20.236 4.232 1.00 0.00 C ATOM 1275 O ARG A 80 3.450 19.260 4.974 1.00 0.00 O ATOM 1276 CB ARG A 80 4.866 22.116 4.934 1.00 0.00 C ATOM 1277 CG ARG A 80 6.280 22.675 4.906 1.00 0.00 C ATOM 1278 CD ARG A 80 6.561 23.682 5.961 1.00 0.00 C ATOM 1279 NE ARG A 80 7.932 24.168 5.981 1.00 0.00 N ATOM 1280 CZ ARG A 80 8.397 25.112 6.822 1.00 0.00 C ATOM 1281 NH1 ARG A 80 7.601 25.699 7.688 1.00 0.00 N ATOM 1282 NH2 ARG A 80 9.673 25.448 6.738 1.00 0.00 N ATOM 0 H ARG A 80 4.342 22.676 2.541 1.00 0.00 H new ATOM 0 HA ARG A 80 5.432 20.405 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.162 22.941 4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.684 21.676 5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.986 21.851 5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.460 23.128 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.890 24.530 5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.329 23.246 6.933 1.00 0.00 H new ATOM 0 HE ARG A 80 8.587 23.766 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.615 25.442 7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.969 26.412 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.275 24.996 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.055 26.160 7.361 1.00 0.00 H new ATOM 1296 N LEU A 81 2.193 20.627 3.704 1.00 0.00 N ATOM 1297 CA LEU A 81 0.965 19.867 3.901 1.00 0.00 C ATOM 1298 C LEU A 81 1.127 18.427 3.428 1.00 0.00 C ATOM 1299 O LEU A 81 0.870 17.485 4.177 1.00 0.00 O ATOM 1300 CB LEU A 81 -0.200 20.541 3.165 1.00 0.00 C ATOM 1301 CG LEU A 81 -1.529 19.778 3.209 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -2.009 19.649 4.648 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -2.562 20.505 2.360 1.00 0.00 C ATOM 0 H LEU A 81 2.082 21.467 3.136 1.00 0.00 H new ATOM 0 HA LEU A 81 0.746 19.848 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.354 21.532 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.084 20.684 2.122 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.386 18.776 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.954 19.106 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.265 19.107 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.152 20.642 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.506 19.962 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.709 21.512 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.211 20.562 1.330 1.00 0.00 H new ATOM 1315 N LEU A 82 1.556 18.264 2.181 1.00 0.00 N ATOM 1316 CA LEU A 82 1.739 16.939 1.601 1.00 0.00 C ATOM 1317 C LEU A 82 2.872 16.188 2.288 1.00 0.00 C ATOM 1318 O LEU A 82 2.833 14.964 2.413 1.00 0.00 O ATOM 1319 CB LEU A 82 2.009 17.052 0.095 1.00 0.00 C ATOM 1320 CG LEU A 82 0.816 17.522 -0.748 1.00 0.00 C ATOM 1321 CD1 LEU A 82 1.253 17.752 -2.188 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.295 16.485 -0.681 1.00 0.00 C ATOM 0 H LEU A 82 1.784 19.034 1.552 1.00 0.00 H new ATOM 0 HA LEU A 82 0.820 16.373 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.837 17.744 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.334 16.079 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 82 0.440 18.465 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.400 18.085 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.032 18.514 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.641 16.822 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.142 16.820 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.071 15.534 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.611 16.357 0.354 1.00 0.00 H new ATOM 1334 N ALA A 83 3.883 16.929 2.730 1.00 0.00 N ATOM 1335 CA ALA A 83 5.000 16.342 3.460 1.00 0.00 C ATOM 1336 C ALA A 83 4.532 15.695 4.757 1.00 0.00 C ATOM 1337 O ALA A 83 4.949 14.587 5.095 1.00 0.00 O ATOM 1338 CB ALA A 83 6.060 17.397 3.743 1.00 0.00 C ATOM 0 H ALA A 83 3.951 17.938 2.595 1.00 0.00 H new ATOM 0 HA ALA A 83 5.438 15.563 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.888 16.944 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.427 17.806 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.626 18.198 4.342 1.00 0.00 H new ATOM 1344 N GLU A 84 3.662 16.393 5.480 1.00 0.00 N ATOM 1345 CA GLU A 84 3.093 15.864 6.714 1.00 0.00 C ATOM 1346 C GLU A 84 2.172 14.683 6.435 1.00 0.00 C ATOM 1347 O GLU A 84 2.236 13.660 7.115 1.00 0.00 O ATOM 1348 CB GLU A 84 2.332 16.959 7.465 1.00 0.00 C ATOM 1349 CG GLU A 84 1.671 16.493 8.754 1.00 0.00 C ATOM 1350 CD GLU A 84 0.883 17.601 9.396 1.00 0.00 C ATOM 1351 OE1 GLU A 84 0.975 18.713 8.933 1.00 0.00 O ATOM 1352 OE2 GLU A 84 0.106 17.318 10.276 1.00 0.00 O ATOM 0 H GLU A 84 3.336 17.327 5.232 1.00 0.00 H new ATOM 0 HA GLU A 84 3.916 15.514 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.022 17.770 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.567 17.370 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.012 15.650 8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.433 16.137 9.447 1.00 0.00 H new ATOM 1359 N GLU A 85 1.316 14.832 5.429 1.00 0.00 N ATOM 1360 CA GLU A 85 0.358 13.791 5.079 1.00 0.00 C ATOM 1361 C GLU A 85 1.064 12.530 4.599 1.00 0.00 C ATOM 1362 O GLU A 85 0.605 11.416 4.849 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.609 14.293 4.004 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.610 15.331 4.494 1.00 0.00 C ATOM 1365 CD GLU A 85 -2.460 14.787 5.608 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -3.032 13.737 5.435 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -2.449 15.361 6.671 1.00 0.00 O ATOM 0 H GLU A 85 1.267 15.665 4.842 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.207 13.543 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.032 14.721 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.156 13.442 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.078 16.218 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.247 15.644 3.667 1.00 0.00 H new ATOM 1374 N LEU A 86 2.185 12.712 3.908 1.00 0.00 N ATOM 1375 CA LEU A 86 3.015 11.591 3.485 1.00 0.00 C ATOM 1376 C LEU A 86 3.656 10.899 4.681 1.00 0.00 C ATOM 1377 O LEU A 86 3.682 9.670 4.759 1.00 0.00 O ATOM 1378 CB LEU A 86 4.093 12.070 2.505 1.00 0.00 C ATOM 1379 CG LEU A 86 5.044 10.980 1.996 1.00 0.00 C ATOM 1380 CD1 LEU A 86 4.259 9.910 1.247 1.00 0.00 C ATOM 1381 CD2 LEU A 86 6.100 11.603 1.095 1.00 0.00 C ATOM 0 H LEU A 86 2.539 13.627 3.629 1.00 0.00 H new ATOM 0 HA LEU A 86 2.375 10.867 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.603 12.531 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.683 12.847 2.991 1.00 0.00 H new ATOM 0 HG LEU A 86 5.542 10.509 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.943 9.140 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.526 9.461 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.746 10.362 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.775 10.827 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.615 12.085 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.667 12.344 1.658 1.00 0.00 H new ATOM 1393 N HIS A 87 4.171 11.694 5.612 1.00 0.00 N ATOM 1394 CA HIS A 87 4.709 11.164 6.860 1.00 0.00 C ATOM 1395 C HIS A 87 3.659 10.360 7.615 1.00 0.00 C ATOM 1396 O HIS A 87 3.941 9.273 8.121 1.00 0.00 O ATOM 1397 CB HIS A 87 5.238 12.297 7.745 1.00 0.00 C ATOM 1398 CG HIS A 87 5.760 11.832 9.070 1.00 0.00 C ATOM 1399 ND1 HIS A 87 6.958 11.162 9.203 1.00 0.00 N ATOM 1400 CD2 HIS A 87 5.247 11.939 10.318 1.00 0.00 C ATOM 1401 CE1 HIS A 87 7.160 10.878 10.478 1.00 0.00 C ATOM 1402 NE2 HIS A 87 6.137 11.338 11.174 1.00 0.00 N ATOM 0 H HIS A 87 4.227 12.709 5.526 1.00 0.00 H new ATOM 0 HA HIS A 87 5.534 10.498 6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.034 12.820 7.214 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.439 13.019 7.912 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.313 12.409 10.590 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.016 10.358 10.882 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.026 11.260 12.185 1.00 0.00 H new ATOM 1410 N ARG A 88 2.447 10.900 7.688 1.00 0.00 N ATOM 1411 CA ARG A 88 1.347 10.225 8.367 1.00 0.00 C ATOM 1412 C ARG A 88 0.963 8.938 7.650 1.00 0.00 C ATOM 1413 O ARG A 88 0.599 7.948 8.283 1.00 0.00 O ATOM 1414 CB ARG A 88 0.144 11.138 8.557 1.00 0.00 C ATOM 1415 CG ARG A 88 0.357 12.284 9.533 1.00 0.00 C ATOM 1416 CD ARG A 88 -0.807 13.193 9.673 1.00 0.00 C ATOM 1417 NE ARG A 88 -0.558 14.372 10.487 1.00 0.00 N ATOM 1418 CZ ARG A 88 -0.588 14.392 11.834 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -0.894 13.314 12.521 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -0.325 15.533 12.447 1.00 0.00 N ATOM 0 H ARG A 88 2.202 11.804 7.285 1.00 0.00 H new ATOM 0 HA ARG A 88 1.701 9.958 9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.136 11.552 7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.698 10.538 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.600 11.871 10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.220 12.866 9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.123 13.513 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.637 12.636 10.108 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.346 15.245 10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.113 12.445 12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.912 13.347 13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.107 16.367 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.340 15.580 13.466 1.00 0.00 H new ATOM 1434 N ALA A 89 1.047 8.958 6.324 1.00 0.00 N ATOM 1435 CA ALA A 89 0.837 7.757 5.524 1.00 0.00 C ATOM 1436 C ALA A 89 1.925 6.724 5.785 1.00 0.00 C ATOM 1437 O ALA A 89 1.660 5.523 5.819 1.00 0.00 O ATOM 1438 CB ALA A 89 0.780 8.108 4.045 1.00 0.00 C ATOM 0 H ALA A 89 1.259 9.794 5.780 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.117 7.320 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.623 7.201 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.042 8.801 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.719 8.574 3.745 1.00 0.00 H new ATOM 1444 N ALA A 90 3.152 7.199 5.971 1.00 0.00 N ATOM 1445 CA ALA A 90 4.276 6.321 6.272 1.00 0.00 C ATOM 1446 C ALA A 90 4.110 5.660 7.634 1.00 0.00 C ATOM 1447 O ALA A 90 4.504 4.511 7.829 1.00 0.00 O ATOM 1448 CB ALA A 90 5.585 7.095 6.210 1.00 0.00 C ATOM 0 H ALA A 90 3.393 8.189 5.918 1.00 0.00 H new ATOM 0 HA ALA A 90 4.299 5.533 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.415 6.426 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.716 7.509 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.563 7.906 6.938 1.00 0.00 H new ATOM 1454 N ILE A 91 3.525 6.393 8.574 1.00 0.00 N ATOM 1455 CA ILE A 91 3.204 5.844 9.886 1.00 0.00 C ATOM 1456 C ILE A 91 2.207 4.697 9.772 1.00 0.00 C ATOM 1457 O ILE A 91 2.340 3.677 10.449 1.00 0.00 O ATOM 1458 CB ILE A 91 2.629 6.920 10.825 1.00 0.00 C ATOM 1459 CG1 ILE A 91 3.708 7.944 11.185 1.00 0.00 C ATOM 1460 CG2 ILE A 91 2.057 6.280 12.080 1.00 0.00 C ATOM 1461 CD1 ILE A 91 3.173 9.177 11.879 1.00 0.00 C ATOM 0 H ILE A 91 3.263 7.371 8.452 1.00 0.00 H new ATOM 0 HA ILE A 91 4.137 5.471 10.308 1.00 0.00 H new ATOM 0 HB ILE A 91 1.822 7.438 10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.447 7.468 11.829 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.226 8.247 10.275 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.655 7.055 12.733 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.261 5.588 11.805 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.845 5.738 12.603 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.997 9.855 12.102 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.456 9.678 11.229 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.680 8.887 12.807 1.00 0.00 H new ATOM 1473 N GLN A 92 1.208 4.871 8.914 1.00 0.00 N ATOM 1474 CA GLN A 92 0.230 3.822 8.653 1.00 0.00 C ATOM 1475 C GLN A 92 0.846 2.682 7.853 1.00 0.00 C ATOM 1476 O GLN A 92 0.475 1.520 8.022 1.00 0.00 O ATOM 1477 CB GLN A 92 -0.977 4.388 7.901 1.00 0.00 C ATOM 1478 CG GLN A 92 -1.839 5.329 8.725 1.00 0.00 C ATOM 1479 CD GLN A 92 -2.982 5.920 7.922 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -3.128 5.644 6.728 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -3.798 6.743 8.572 1.00 0.00 N ATOM 0 H GLN A 92 1.054 5.730 8.387 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.100 3.430 9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.624 4.918 7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.594 3.560 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.242 4.791 9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.219 6.135 9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.640 6.943 9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.583 7.175 8.083 1.00 0.00 H new ATOM 1490 N LEU A 93 1.789 3.020 6.981 1.00 0.00 N ATOM 1491 CA LEU A 93 2.462 2.024 6.156 1.00 0.00 C ATOM 1492 C LEU A 93 3.167 0.982 7.015 1.00 0.00 C ATOM 1493 O LEU A 93 2.540 0.083 7.503 1.00 0.00 O ATOM 1494 CB LEU A 93 3.464 2.706 5.214 1.00 0.00 C ATOM 1495 CG LEU A 93 4.147 1.775 4.204 1.00 0.00 C ATOM 1496 CD1 LEU A 93 3.117 1.209 3.236 1.00 0.00 C ATOM 1497 CD2 LEU A 93 5.227 2.542 3.455 1.00 0.00 C ATOM 0 H LEU A 93 2.105 3.977 6.827 1.00 0.00 H new ATOM 0 HA LEU A 93 1.707 1.512 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.946 3.493 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.233 3.190 5.816 1.00 0.00 H new ATOM 0 HG LEU A 93 4.611 0.942 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.612 0.549 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.367 0.646 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.634 2.026 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.712 1.880 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.777 3.382 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.967 2.914 4.164 1.00 0.00 H new TER 1509 LEU A 93