USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 58 ASN : amide:sc= -1.14! C(o=-1.4!,f=-4.7!) USER MOD Set 1.2: A 60 SER OG : rot -60:sc= -0.269 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -118:sc= 0.289 (180deg=0) USER MOD Set 2.2: A 49 GLN : amide:sc= -1.91 X(o=-1.6,f=-1.9!) USER MOD Set 3.1: A 19 SER OG : rot -170:sc=0.000412 USER MOD Set 3.2: A 21 LYS NZ :NH3+ -123:sc= -0.0965 (180deg=-0.194) USER MOD Single : A 1 PHE N :NH3+ -136:sc= 1.08 (180deg=-0.0424) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.212 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 12 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.33) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0649 (180deg=-0.36) USER MOD Single : A 28 GLN : amide:sc= 0.00178 X(o=0.0018,f=-0.37) USER MOD Single : A 32 GLN : amide:sc= -3.02! C(o=-3!,f=-10!) USER MOD Single : A 39 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.0073) USER MOD Single : A 41 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.0065) USER MOD Single : A 46 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-6!) USER MOD Single : A 51 SER OG : rot -100:sc= -2.04! USER MOD Single : A 55 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= -1.05 K(o=-1,f=-3.2!) USER MOD Single : A 62 SER OG : rot 74:sc= 0.899 USER MOD Single : A 63 GLN : amide:sc= -0.567 K(o=-0.57,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.8!) USER MOD Single : A 68 GLN : amide:sc= -4.92! C(o=-4.9!,f=-0.5!) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.318) USER MOD Single : A 73 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 75 THR OG1 : rot -87:sc= 0.936 USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= 1.34 (180deg=0.445) USER MOD Single : A 80 ASN : amide:sc= 0.0145 X(o=0.015,f=-0.35) USER MOD Single : A 83 MET CE :methyl -158:sc= -0.208 (180deg=-0.856) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc=-0.00512 (180deg=-0.108) USER MOD Single : A 87 MET CE :methyl -158:sc= -0.968 (180deg=-1.86) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 11.320 -12.466 5.100 1.00 0.00 N ATOM 2 CA PHE A 1 11.444 -11.038 5.459 1.00 0.00 C ATOM 3 C PHE A 1 10.073 -10.379 5.529 1.00 0.00 C ATOM 4 O PHE A 1 9.362 -10.272 4.530 1.00 0.00 O ATOM 5 CB PHE A 1 12.362 -10.302 4.463 1.00 0.00 C ATOM 6 CG PHE A 1 11.957 -10.420 3.016 1.00 0.00 C ATOM 7 CD1 PHE A 1 12.265 -11.556 2.284 1.00 0.00 C ATOM 8 CD2 PHE A 1 11.273 -9.390 2.389 1.00 0.00 C ATOM 9 CE1 PHE A 1 11.898 -11.662 0.957 1.00 0.00 C ATOM 10 CE2 PHE A 1 10.906 -9.493 1.063 1.00 0.00 C ATOM 11 CZ PHE A 1 11.216 -10.631 0.347 1.00 0.00 C ATOM 0 H1 PHE A 1 11.948 -13.032 5.706 1.00 0.00 H new ATOM 0 H2 PHE A 1 10.336 -12.774 5.237 1.00 0.00 H new ATOM 0 H3 PHE A 1 11.589 -12.598 4.104 1.00 0.00 H new ATOM 0 HA PHE A 1 11.900 -10.972 6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 1 12.391 -9.246 4.731 1.00 0.00 H new ATOM 0 HB3 PHE A 1 13.376 -10.687 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 1 12.798 -12.368 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 1 11.025 -8.498 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 1 12.145 -12.552 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 1 10.376 -8.682 0.585 1.00 0.00 H new ATOM 0 HZ PHE A 1 10.925 -10.714 -0.690 1.00 0.00 H new ATOM 23 N LEU A 2 9.687 -9.989 6.728 1.00 0.00 N ATOM 24 CA LEU A 2 8.486 -9.206 6.926 1.00 0.00 C ATOM 25 C LEU A 2 8.887 -7.789 7.283 1.00 0.00 C ATOM 26 O LEU A 2 9.542 -7.568 8.298 1.00 0.00 O ATOM 27 CB LEU A 2 7.613 -9.823 8.033 1.00 0.00 C ATOM 28 CG LEU A 2 6.287 -9.102 8.329 1.00 0.00 C ATOM 29 CD1 LEU A 2 5.244 -10.099 8.799 1.00 0.00 C ATOM 30 CD2 LEU A 2 6.471 -8.025 9.391 1.00 0.00 C ATOM 0 H LEU A 2 10.194 -10.205 7.586 1.00 0.00 H new ATOM 0 HA LEU A 2 7.896 -9.198 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.389 -10.854 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.198 -9.857 8.952 1.00 0.00 H new ATOM 0 HG LEU A 2 5.952 -8.627 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.309 -9.578 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.079 -10.846 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.594 -10.591 9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.517 -7.533 9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.832 -8.481 10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.196 -7.290 9.042 1.00 0.00 H new ATOM 42 N LEU A 3 8.532 -6.839 6.432 1.00 0.00 N ATOM 43 CA LEU A 3 8.804 -5.442 6.719 1.00 0.00 C ATOM 44 C LEU A 3 7.910 -4.982 7.856 1.00 0.00 C ATOM 45 O LEU A 3 6.685 -5.012 7.736 1.00 0.00 O ATOM 46 CB LEU A 3 8.595 -4.552 5.483 1.00 0.00 C ATOM 47 CG LEU A 3 9.703 -4.603 4.423 1.00 0.00 C ATOM 48 CD1 LEU A 3 11.056 -4.305 5.050 1.00 0.00 C ATOM 49 CD2 LEU A 3 9.723 -5.948 3.710 1.00 0.00 C ATOM 0 H LEU A 3 8.059 -7.009 5.544 1.00 0.00 H new ATOM 0 HA LEU A 3 9.851 -5.350 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.654 -4.835 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.486 -3.520 5.817 1.00 0.00 H new ATOM 0 HG LEU A 3 9.491 -3.836 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.829 -4.346 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.039 -3.311 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.271 -5.045 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.519 -5.953 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.900 -6.742 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.764 -6.113 3.218 1.00 0.00 H new ATOM 61 N PRO A 4 8.518 -4.604 8.986 1.00 0.00 N ATOM 62 CA PRO A 4 7.791 -4.151 10.174 1.00 0.00 C ATOM 63 C PRO A 4 6.758 -3.074 9.847 1.00 0.00 C ATOM 64 O PRO A 4 7.015 -2.181 9.038 1.00 0.00 O ATOM 65 CB PRO A 4 8.896 -3.590 11.070 1.00 0.00 C ATOM 66 CG PRO A 4 10.120 -4.339 10.667 1.00 0.00 C ATOM 67 CD PRO A 4 9.978 -4.607 9.195 1.00 0.00 C ATOM 0 HA PRO A 4 7.219 -4.955 10.637 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.020 -2.517 10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.667 -3.742 12.125 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.018 -3.757 10.872 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.209 -5.270 11.226 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.471 -3.840 8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.422 -5.563 8.916 1.00 0.00 H new ATOM 75 N PRO A 5 5.568 -3.164 10.464 1.00 0.00 N ATOM 76 CA PRO A 5 4.454 -2.240 10.209 1.00 0.00 C ATOM 77 C PRO A 5 4.869 -0.773 10.270 1.00 0.00 C ATOM 78 O PRO A 5 5.398 -0.311 11.286 1.00 0.00 O ATOM 79 CB PRO A 5 3.468 -2.565 11.331 1.00 0.00 C ATOM 80 CG PRO A 5 3.732 -3.993 11.656 1.00 0.00 C ATOM 81 CD PRO A 5 5.212 -4.185 11.471 1.00 0.00 C ATOM 0 HA PRO A 5 4.046 -2.367 9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.628 -1.924 12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.437 -2.415 11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.432 -4.224 12.678 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.166 -4.655 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.756 -4.036 12.404 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.446 -5.191 11.123 1.00 0.00 H new ATOM 89 N SER A 6 4.660 -0.068 9.156 1.00 0.00 N ATOM 90 CA SER A 6 4.942 1.364 9.058 1.00 0.00 C ATOM 91 C SER A 6 6.444 1.642 9.151 1.00 0.00 C ATOM 92 O SER A 6 6.875 2.775 9.374 1.00 0.00 O ATOM 93 CB SER A 6 4.161 2.130 10.130 1.00 0.00 C ATOM 94 OG SER A 6 2.767 1.898 9.982 1.00 0.00 O ATOM 0 H SER A 6 4.290 -0.475 8.297 1.00 0.00 H new ATOM 0 HA SER A 6 4.613 1.715 8.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.486 1.815 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.370 3.197 10.050 1.00 0.00 H new ATOM 0 HG SER A 6 2.278 2.391 10.673 1.00 0.00 H new ATOM 100 N THR A 7 7.233 0.596 8.968 1.00 0.00 N ATOM 101 CA THR A 7 8.675 0.720 8.882 1.00 0.00 C ATOM 102 C THR A 7 9.097 0.396 7.453 1.00 0.00 C ATOM 103 O THR A 7 9.732 -0.626 7.182 1.00 0.00 O ATOM 104 CB THR A 7 9.372 -0.227 9.879 1.00 0.00 C ATOM 105 OG1 THR A 7 8.691 -0.173 11.141 1.00 0.00 O ATOM 106 CG2 THR A 7 10.835 0.152 10.075 1.00 0.00 C ATOM 0 H THR A 7 6.891 -0.360 8.875 1.00 0.00 H new ATOM 0 HA THR A 7 8.971 1.737 9.140 1.00 0.00 H new ATOM 0 HB THR A 7 9.335 -1.238 9.473 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.285 -0.503 11.847 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.297 -0.535 10.784 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.357 0.094 9.120 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.899 1.169 10.462 1.00 0.00 H new ATOM 114 N ALA A 8 8.699 1.264 6.536 1.00 0.00 N ATOM 115 CA ALA A 8 8.816 0.980 5.119 1.00 0.00 C ATOM 116 C ALA A 8 10.111 1.516 4.529 1.00 0.00 C ATOM 117 O ALA A 8 10.294 2.725 4.390 1.00 0.00 O ATOM 118 CB ALA A 8 7.619 1.550 4.374 1.00 0.00 C ATOM 0 H ALA A 8 8.291 2.174 6.752 1.00 0.00 H new ATOM 0 HA ALA A 8 8.835 -0.104 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.715 1.332 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.704 1.098 4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.579 2.629 4.521 1.00 0.00 H new ATOM 124 N CYS A 9 11.008 0.602 4.203 1.00 0.00 N ATOM 125 CA CYS A 9 12.203 0.932 3.450 1.00 0.00 C ATOM 126 C CYS A 9 12.553 -0.238 2.541 1.00 0.00 C ATOM 127 O CYS A 9 13.129 -1.235 2.980 1.00 0.00 O ATOM 128 CB CYS A 9 13.377 1.266 4.373 1.00 0.00 C ATOM 129 SG CYS A 9 14.841 1.908 3.493 1.00 0.00 S ATOM 0 H CYS A 9 10.929 -0.384 4.452 1.00 0.00 H new ATOM 0 HA CYS A 9 12.005 1.820 2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.052 2.004 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.660 0.370 4.925 1.00 0.00 H new ATOM 134 N CYS A 10 12.173 -0.128 1.279 1.00 0.00 N ATOM 135 CA CYS A 10 12.331 -1.219 0.338 1.00 0.00 C ATOM 136 C CYS A 10 13.464 -0.953 -0.639 1.00 0.00 C ATOM 137 O CYS A 10 13.555 0.119 -1.230 1.00 0.00 O ATOM 138 CB CYS A 10 11.023 -1.439 -0.417 1.00 0.00 C ATOM 139 SG CYS A 10 9.635 -1.932 0.656 1.00 0.00 S ATOM 0 H CYS A 10 11.751 0.712 0.883 1.00 0.00 H new ATOM 0 HA CYS A 10 12.584 -2.119 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.757 -0.521 -0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.176 -2.207 -1.175 1.00 0.00 H new ATOM 144 N THR A 11 14.336 -1.937 -0.788 1.00 0.00 N ATOM 145 CA THR A 11 15.427 -1.860 -1.739 1.00 0.00 C ATOM 146 C THR A 11 15.064 -2.592 -3.030 1.00 0.00 C ATOM 147 O THR A 11 15.879 -2.718 -3.946 1.00 0.00 O ATOM 148 CB THR A 11 16.709 -2.459 -1.134 1.00 0.00 C ATOM 149 OG1 THR A 11 16.399 -3.681 -0.448 1.00 0.00 O ATOM 150 CG2 THR A 11 17.358 -1.478 -0.169 1.00 0.00 C ATOM 0 H THR A 11 14.306 -2.806 -0.255 1.00 0.00 H new ATOM 0 HA THR A 11 15.606 -0.810 -1.972 1.00 0.00 H new ATOM 0 HB THR A 11 17.410 -2.665 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.219 -4.059 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.263 -1.922 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.614 -0.561 -0.700 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.663 -1.247 0.638 1.00 0.00 H new ATOM 158 N GLN A 12 13.826 -3.064 -3.093 1.00 0.00 N ATOM 159 CA GLN A 12 13.322 -3.768 -4.263 1.00 0.00 C ATOM 160 C GLN A 12 11.847 -3.448 -4.479 1.00 0.00 C ATOM 161 O GLN A 12 11.165 -3.010 -3.552 1.00 0.00 O ATOM 162 CB GLN A 12 13.557 -5.285 -4.151 1.00 0.00 C ATOM 163 CG GLN A 12 13.370 -5.894 -2.760 1.00 0.00 C ATOM 164 CD GLN A 12 11.988 -5.680 -2.176 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.048 -6.412 -2.483 1.00 0.00 O ATOM 166 NE2 GLN A 12 11.872 -4.718 -1.277 1.00 0.00 N ATOM 0 H GLN A 12 13.146 -2.970 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 12 13.878 -3.422 -5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.879 -5.789 -4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.571 -5.501 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.569 -6.964 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.110 -5.465 -2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.676 -4.132 -1.050 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.979 -4.561 -0.810 1.00 0.00 H new ATOM 175 N LEU A 13 11.365 -3.642 -5.701 1.00 0.00 N ATOM 176 CA LEU A 13 9.986 -3.309 -6.038 1.00 0.00 C ATOM 177 C LEU A 13 9.356 -4.401 -6.900 1.00 0.00 C ATOM 178 O LEU A 13 10.019 -5.005 -7.746 1.00 0.00 O ATOM 179 CB LEU A 13 9.924 -1.963 -6.773 1.00 0.00 C ATOM 180 CG LEU A 13 10.464 -0.757 -5.992 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.517 0.472 -6.884 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.607 -0.483 -4.766 1.00 0.00 C ATOM 0 H LEU A 13 11.908 -4.028 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 13 9.422 -3.233 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.484 -2.051 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.887 -1.764 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 13 11.475 -0.991 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.902 1.318 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.172 0.277 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.515 0.703 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.007 0.376 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.584 -0.271 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.615 -1.357 -4.114 1.00 0.00 H new ATOM 194 N TYR A 14 8.073 -4.642 -6.676 1.00 0.00 N ATOM 195 CA TYR A 14 7.330 -5.651 -7.422 1.00 0.00 C ATOM 196 C TYR A 14 6.876 -5.088 -8.767 1.00 0.00 C ATOM 197 O TYR A 14 6.855 -5.800 -9.771 1.00 0.00 O ATOM 198 CB TYR A 14 6.120 -6.105 -6.602 1.00 0.00 C ATOM 199 CG TYR A 14 5.511 -7.413 -7.057 1.00 0.00 C ATOM 200 CD1 TYR A 14 4.521 -7.451 -8.033 1.00 0.00 C ATOM 201 CD2 TYR A 14 5.918 -8.611 -6.489 1.00 0.00 C ATOM 202 CE1 TYR A 14 3.959 -8.649 -8.431 1.00 0.00 C ATOM 203 CE2 TYR A 14 5.360 -9.811 -6.877 1.00 0.00 C ATOM 204 CZ TYR A 14 4.381 -9.826 -7.847 1.00 0.00 C ATOM 205 OH TYR A 14 3.818 -11.025 -8.228 1.00 0.00 O ATOM 0 H TYR A 14 7.519 -4.148 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 14 7.978 -6.507 -7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.419 -6.201 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.356 -5.329 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.186 -6.530 -8.487 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.686 -8.604 -5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.195 -8.664 -9.194 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.688 -10.734 -6.423 1.00 0.00 H new ATOM 0 HH TYR A 14 4.229 -11.755 -7.720 1.00 0.00 H new ATOM 215 N ARG A 15 6.509 -3.799 -8.756 1.00 0.00 N ATOM 216 CA ARG A 15 6.092 -3.055 -9.958 1.00 0.00 C ATOM 217 C ARG A 15 4.706 -3.478 -10.451 1.00 0.00 C ATOM 218 O ARG A 15 3.790 -2.659 -10.535 1.00 0.00 O ATOM 219 CB ARG A 15 7.096 -3.221 -11.109 1.00 0.00 C ATOM 220 CG ARG A 15 8.527 -2.836 -10.770 1.00 0.00 C ATOM 221 CD ARG A 15 9.429 -3.009 -11.982 1.00 0.00 C ATOM 222 NE ARG A 15 10.844 -2.858 -11.658 1.00 0.00 N ATOM 223 CZ ARG A 15 11.824 -2.969 -12.553 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.532 -3.220 -13.824 1.00 0.00 N ATOM 225 NH2 ARG A 15 13.093 -2.837 -12.178 1.00 0.00 N ATOM 0 H ARG A 15 6.492 -3.236 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 15 6.056 -2.008 -9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.083 -4.261 -11.436 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.763 -2.617 -11.953 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.560 -1.801 -10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.890 -3.453 -9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.263 -3.995 -12.415 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.154 -2.277 -12.741 1.00 0.00 H new ATOM 0 HE ARG A 15 11.097 -2.656 -10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.559 -3.327 -14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.280 -3.306 -14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.319 -2.650 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.840 -2.923 -12.867 1.00 0.00 H new ATOM 239 N LYS A 16 4.575 -4.757 -10.775 1.00 0.00 N ATOM 240 CA LYS A 16 3.385 -5.292 -11.429 1.00 0.00 C ATOM 241 C LYS A 16 2.138 -5.132 -10.566 1.00 0.00 C ATOM 242 O LYS A 16 2.213 -5.119 -9.336 1.00 0.00 O ATOM 243 CB LYS A 16 3.603 -6.771 -11.761 1.00 0.00 C ATOM 244 CG LYS A 16 4.874 -7.032 -12.553 1.00 0.00 C ATOM 245 CD LYS A 16 4.994 -8.493 -12.959 1.00 0.00 C ATOM 246 CE LYS A 16 3.911 -8.893 -13.949 1.00 0.00 C ATOM 247 NZ LYS A 16 3.965 -8.075 -15.190 1.00 0.00 N ATOM 0 H LYS A 16 5.294 -5.457 -10.591 1.00 0.00 H new ATOM 0 HA LYS A 16 3.224 -4.724 -12.345 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.638 -7.342 -10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.748 -7.138 -12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.883 -6.405 -13.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.740 -6.748 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.974 -8.668 -13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.927 -9.124 -12.072 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.023 -9.947 -14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.933 -8.780 -13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.409 -8.539 -15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.571 -7.131 -15.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.953 -7.982 -15.502 1.00 0.00 H new ATOM 261 N PRO A 17 0.970 -4.983 -11.212 1.00 0.00 N ATOM 262 CA PRO A 17 -0.315 -4.885 -10.519 1.00 0.00 C ATOM 263 C PRO A 17 -0.655 -6.163 -9.759 1.00 0.00 C ATOM 264 O PRO A 17 -0.715 -7.249 -10.342 1.00 0.00 O ATOM 265 CB PRO A 17 -1.328 -4.651 -11.648 1.00 0.00 C ATOM 266 CG PRO A 17 -0.519 -4.214 -12.821 1.00 0.00 C ATOM 267 CD PRO A 17 0.810 -4.891 -12.671 1.00 0.00 C ATOM 0 HA PRO A 17 -0.310 -4.093 -9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.884 -5.561 -11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.058 -3.891 -11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.000 -4.499 -13.757 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.407 -3.130 -12.837 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.818 -5.874 -13.141 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.612 -4.312 -13.130 1.00 0.00 H new ATOM 275 N LEU A 18 -0.870 -6.024 -8.461 1.00 0.00 N ATOM 276 CA LEU A 18 -1.217 -7.156 -7.615 1.00 0.00 C ATOM 277 C LEU A 18 -2.676 -7.550 -7.828 1.00 0.00 C ATOM 278 O LEU A 18 -3.418 -6.859 -8.530 1.00 0.00 O ATOM 279 CB LEU A 18 -0.969 -6.808 -6.144 1.00 0.00 C ATOM 280 CG LEU A 18 0.469 -6.404 -5.812 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.584 -5.961 -4.362 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.423 -7.552 -6.094 1.00 0.00 C ATOM 0 H LEU A 18 -0.810 -5.133 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.587 -8.003 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.635 -5.993 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.240 -7.668 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 18 0.742 -5.562 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.615 -5.678 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.070 -5.106 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.289 -6.781 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.441 -7.247 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.147 -8.412 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.366 -7.822 -7.149 1.00 0.00 H new ATOM 294 N SER A 19 -3.084 -8.658 -7.234 1.00 0.00 N ATOM 295 CA SER A 19 -4.457 -9.114 -7.360 1.00 0.00 C ATOM 296 C SER A 19 -5.299 -8.601 -6.196 1.00 0.00 C ATOM 297 O SER A 19 -4.826 -8.529 -5.060 1.00 0.00 O ATOM 298 CB SER A 19 -4.520 -10.645 -7.424 1.00 0.00 C ATOM 299 OG SER A 19 -5.847 -11.094 -7.652 1.00 0.00 O ATOM 0 H SER A 19 -2.487 -9.256 -6.662 1.00 0.00 H new ATOM 0 HA SER A 19 -4.862 -8.714 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.869 -11.006 -8.221 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.146 -11.067 -6.491 1.00 0.00 H new ATOM 0 HG SER A 19 -5.889 -12.066 -7.532 1.00 0.00 H new ATOM 305 N ASP A 20 -6.546 -8.256 -6.497 1.00 0.00 N ATOM 306 CA ASP A 20 -7.493 -7.766 -5.498 1.00 0.00 C ATOM 307 C ASP A 20 -7.690 -8.810 -4.402 1.00 0.00 C ATOM 308 O ASP A 20 -7.970 -8.480 -3.249 1.00 0.00 O ATOM 309 CB ASP A 20 -8.830 -7.455 -6.171 1.00 0.00 C ATOM 310 CG ASP A 20 -9.763 -6.629 -5.306 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.525 -7.220 -4.513 1.00 0.00 O ATOM 312 OD2 ASP A 20 -9.763 -5.380 -5.438 1.00 0.00 O ATOM 0 H ASP A 20 -6.930 -8.308 -7.440 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.097 -6.857 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.644 -6.922 -7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.323 -8.391 -6.433 1.00 0.00 H new ATOM 317 N LYS A 21 -7.525 -10.075 -4.781 1.00 0.00 N ATOM 318 CA LYS A 21 -7.627 -11.193 -3.848 1.00 0.00 C ATOM 319 C LYS A 21 -6.639 -11.027 -2.698 1.00 0.00 C ATOM 320 O LYS A 21 -6.979 -11.233 -1.535 1.00 0.00 O ATOM 321 CB LYS A 21 -7.339 -12.513 -4.568 1.00 0.00 C ATOM 322 CG LYS A 21 -8.204 -12.753 -5.791 1.00 0.00 C ATOM 323 CD LYS A 21 -7.789 -14.027 -6.505 1.00 0.00 C ATOM 324 CE LYS A 21 -8.554 -14.229 -7.803 1.00 0.00 C ATOM 325 NZ LYS A 21 -8.261 -13.168 -8.806 1.00 0.00 N ATOM 0 H LYS A 21 -7.318 -10.353 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.642 -11.207 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.291 -12.530 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.483 -13.336 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.250 -12.822 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.121 -11.906 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.720 -13.992 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.957 -14.881 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.300 -15.202 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.624 -14.241 -7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.147 -12.703 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.619 -12.464 -8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.812 -13.595 -9.641 1.00 0.00 H new ATOM 339 N LEU A 22 -5.409 -10.659 -3.036 1.00 0.00 N ATOM 340 CA LEU A 22 -4.365 -10.470 -2.035 1.00 0.00 C ATOM 341 C LEU A 22 -4.622 -9.182 -1.279 1.00 0.00 C ATOM 342 O LEU A 22 -4.366 -9.078 -0.080 1.00 0.00 O ATOM 343 CB LEU A 22 -2.975 -10.384 -2.681 1.00 0.00 C ATOM 344 CG LEU A 22 -2.826 -11.051 -4.046 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.427 -10.827 -4.595 1.00 0.00 C ATOM 346 CD2 LEU A 22 -3.130 -12.538 -3.966 1.00 0.00 C ATOM 0 H LEU A 22 -5.110 -10.485 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.387 -11.328 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.708 -9.332 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.252 -10.832 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.547 -10.595 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.337 -11.309 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.245 -9.758 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.695 -11.254 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.016 -12.986 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.440 -13.014 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.153 -12.682 -3.618 1.00 0.00 H new ATOM 358 N LEU A 23 -5.141 -8.205 -2.005 1.00 0.00 N ATOM 359 CA LEU A 23 -5.328 -6.867 -1.480 1.00 0.00 C ATOM 360 C LEU A 23 -6.346 -6.842 -0.345 1.00 0.00 C ATOM 361 O LEU A 23 -6.176 -6.111 0.628 1.00 0.00 O ATOM 362 CB LEU A 23 -5.744 -5.911 -2.600 1.00 0.00 C ATOM 363 CG LEU A 23 -4.695 -5.708 -3.695 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.188 -4.710 -4.729 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.381 -5.242 -3.086 1.00 0.00 C ATOM 0 H LEU A 23 -5.443 -8.319 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.375 -6.535 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.659 -6.287 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.983 -4.942 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.527 -6.662 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.428 -4.579 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.106 -5.081 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.384 -3.753 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.643 -5.101 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.537 -4.298 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.020 -5.992 -2.382 1.00 0.00 H new ATOM 377 N ARG A 24 -7.388 -7.663 -0.445 1.00 0.00 N ATOM 378 CA ARG A 24 -8.409 -7.721 0.604 1.00 0.00 C ATOM 379 C ARG A 24 -7.863 -8.381 1.876 1.00 0.00 C ATOM 380 O ARG A 24 -8.589 -8.580 2.850 1.00 0.00 O ATOM 381 CB ARG A 24 -9.654 -8.464 0.107 1.00 0.00 C ATOM 382 CG ARG A 24 -9.447 -9.949 -0.139 1.00 0.00 C ATOM 383 CD ARG A 24 -10.686 -10.577 -0.752 1.00 0.00 C ATOM 384 NE ARG A 24 -10.581 -12.030 -0.855 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.947 -12.727 -1.932 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.369 -12.098 -3.024 1.00 0.00 N ATOM 387 NH2 ARG A 24 -10.883 -14.051 -1.915 1.00 0.00 N ATOM 0 H ARG A 24 -7.549 -8.292 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.690 -6.697 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.453 -8.338 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.993 -7.999 -0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.594 -10.096 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.209 -10.447 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.557 -10.320 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.850 -10.156 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.206 -12.542 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.414 -11.079 -3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.648 -12.634 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.554 -14.535 -1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.162 -14.586 -2.737 1.00 0.00 H new ATOM 401 N LYS A 25 -6.577 -8.703 1.852 1.00 0.00 N ATOM 402 CA LYS A 25 -5.901 -9.315 2.990 1.00 0.00 C ATOM 403 C LYS A 25 -4.838 -8.368 3.541 1.00 0.00 C ATOM 404 O LYS A 25 -4.049 -8.735 4.419 1.00 0.00 O ATOM 405 CB LYS A 25 -5.250 -10.638 2.586 1.00 0.00 C ATOM 406 CG LYS A 25 -6.185 -11.590 1.856 1.00 0.00 C ATOM 407 CD LYS A 25 -5.572 -12.972 1.728 1.00 0.00 C ATOM 408 CE LYS A 25 -4.144 -12.905 1.207 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.498 -14.243 1.172 1.00 0.00 N ATOM 0 H LYS A 25 -5.973 -8.548 1.045 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.645 -9.512 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.391 -10.429 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.870 -11.132 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.131 -11.657 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.409 -11.195 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.583 -13.467 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.178 -13.578 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.144 -12.477 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.559 -12.237 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.673 -14.247 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.178 -14.965 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.190 -14.455 0.201 1.00 0.00 H new ATOM 423 N VAL A 26 -4.814 -7.156 2.999 1.00 0.00 N ATOM 424 CA VAL A 26 -3.900 -6.127 3.439 1.00 0.00 C ATOM 425 C VAL A 26 -4.352 -5.553 4.781 1.00 0.00 C ATOM 426 O VAL A 26 -5.543 -5.407 5.036 1.00 0.00 O ATOM 427 CB VAL A 26 -3.807 -5.016 2.367 1.00 0.00 C ATOM 428 CG1 VAL A 26 -3.249 -3.733 2.938 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.955 -5.488 1.200 1.00 0.00 C ATOM 0 H VAL A 26 -5.432 -6.866 2.241 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.910 -6.562 3.575 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.817 -4.807 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.199 -2.977 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.896 -3.381 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.249 -3.914 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.895 -4.699 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.953 -5.728 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.405 -6.376 0.757 1.00 0.00 H new ATOM 439 N ILE A 27 -3.400 -5.258 5.649 1.00 0.00 N ATOM 440 CA ILE A 27 -3.715 -4.712 6.960 1.00 0.00 C ATOM 441 C ILE A 27 -3.343 -3.236 7.050 1.00 0.00 C ATOM 442 O ILE A 27 -3.899 -2.498 7.864 1.00 0.00 O ATOM 443 CB ILE A 27 -3.006 -5.491 8.089 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.497 -5.593 7.821 1.00 0.00 C ATOM 445 CG2 ILE A 27 -3.623 -6.873 8.241 1.00 0.00 C ATOM 446 CD1 ILE A 27 -0.741 -6.402 8.853 1.00 0.00 C ATOM 0 H ILE A 27 -2.404 -5.387 5.471 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.792 -4.815 7.090 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.142 -4.946 9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.342 -6.041 6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.077 -4.588 7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.115 -7.413 9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.681 -6.774 8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.517 -7.424 7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.317 -6.426 8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.863 -5.944 9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.132 -7.419 8.876 1.00 0.00 H new ATOM 458 N GLN A 28 -2.406 -2.809 6.206 1.00 0.00 N ATOM 459 CA GLN A 28 -1.923 -1.434 6.231 1.00 0.00 C ATOM 460 C GLN A 28 -1.356 -1.001 4.885 1.00 0.00 C ATOM 461 O GLN A 28 -0.923 -1.826 4.077 1.00 0.00 O ATOM 462 CB GLN A 28 -0.850 -1.258 7.312 1.00 0.00 C ATOM 463 CG GLN A 28 -1.409 -0.944 8.689 1.00 0.00 C ATOM 464 CD GLN A 28 -2.214 0.340 8.702 1.00 0.00 C ATOM 465 OE1 GLN A 28 -1.673 1.424 8.915 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.514 0.227 8.475 1.00 0.00 N ATOM 0 H GLN A 28 -1.967 -3.397 5.497 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.782 -0.803 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.255 -2.169 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.175 -0.456 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.040 -1.769 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.589 -0.864 9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.924 -0.691 8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.105 1.058 8.473 1.00 0.00 H new ATOM 475 N VAL A 29 -1.395 0.301 4.655 1.00 0.00 N ATOM 476 CA VAL A 29 -0.730 0.919 3.520 1.00 0.00 C ATOM 477 C VAL A 29 0.286 1.931 4.020 1.00 0.00 C ATOM 478 O VAL A 29 -0.073 2.910 4.679 1.00 0.00 O ATOM 479 CB VAL A 29 -1.717 1.619 2.557 1.00 0.00 C ATOM 480 CG1 VAL A 29 -2.179 0.661 1.474 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.909 2.193 3.314 1.00 0.00 C ATOM 0 H VAL A 29 -1.891 0.962 5.253 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.240 0.122 2.960 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.192 2.447 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.873 1.173 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.317 0.313 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.679 -0.192 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.586 2.679 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.435 1.389 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.559 2.922 4.045 1.00 0.00 H new ATOM 491 N GLU A 30 1.550 1.683 3.732 1.00 0.00 N ATOM 492 CA GLU A 30 2.619 2.547 4.202 1.00 0.00 C ATOM 493 C GLU A 30 3.436 3.097 3.044 1.00 0.00 C ATOM 494 O GLU A 30 3.499 2.502 1.968 1.00 0.00 O ATOM 495 CB GLU A 30 3.518 1.794 5.185 1.00 0.00 C ATOM 496 CG GLU A 30 3.756 0.342 4.809 1.00 0.00 C ATOM 497 CD GLU A 30 3.201 -0.612 5.853 1.00 0.00 C ATOM 498 OE1 GLU A 30 1.981 -0.853 5.855 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.985 -1.123 6.688 1.00 0.00 O ATOM 0 H GLU A 30 1.863 0.889 3.174 1.00 0.00 H new ATOM 0 HA GLU A 30 2.165 3.393 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.479 2.305 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.069 1.834 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.291 0.136 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.826 0.168 4.691 1.00 0.00 H new ATOM 506 N LEU A 31 4.052 4.242 3.273 1.00 0.00 N ATOM 507 CA LEU A 31 4.836 4.905 2.250 1.00 0.00 C ATOM 508 C LEU A 31 6.284 5.065 2.688 1.00 0.00 C ATOM 509 O LEU A 31 6.570 5.615 3.751 1.00 0.00 O ATOM 510 CB LEU A 31 4.232 6.277 1.928 1.00 0.00 C ATOM 511 CG LEU A 31 5.019 7.129 0.926 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.086 6.445 -0.428 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.393 8.508 0.796 1.00 0.00 C ATOM 0 H LEU A 31 4.023 4.734 4.166 1.00 0.00 H new ATOM 0 HA LEU A 31 4.817 4.285 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.225 6.128 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.135 6.838 2.857 1.00 0.00 H new ATOM 0 HG LEU A 31 6.037 7.243 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.649 7.068 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.581 5.479 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.076 6.296 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.964 9.101 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.365 8.410 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.401 9.004 1.767 1.00 0.00 H new ATOM 525 N GLN A 32 7.187 4.557 1.873 1.00 0.00 N ATOM 526 CA GLN A 32 8.596 4.838 2.032 1.00 0.00 C ATOM 527 C GLN A 32 8.881 6.185 1.392 1.00 0.00 C ATOM 528 O GLN A 32 8.698 6.354 0.186 1.00 0.00 O ATOM 529 CB GLN A 32 9.439 3.738 1.385 1.00 0.00 C ATOM 530 CG GLN A 32 10.912 4.088 1.264 1.00 0.00 C ATOM 531 CD GLN A 32 11.732 2.963 0.671 1.00 0.00 C ATOM 532 OE1 GLN A 32 11.224 2.129 -0.074 1.00 0.00 O ATOM 533 NE2 GLN A 32 13.013 2.937 0.990 1.00 0.00 N ATOM 0 H GLN A 32 6.966 3.943 1.089 1.00 0.00 H new ATOM 0 HA GLN A 32 8.857 4.867 3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.339 2.824 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.043 3.525 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.020 4.977 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.304 4.338 2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.398 3.648 1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.617 2.206 0.614 1.00 0.00 H new ATOM 542 N GLU A 33 9.283 7.149 2.199 1.00 0.00 N ATOM 543 CA GLU A 33 9.495 8.498 1.712 1.00 0.00 C ATOM 544 C GLU A 33 10.872 8.635 1.082 1.00 0.00 C ATOM 545 O GLU A 33 11.812 7.943 1.469 1.00 0.00 O ATOM 546 CB GLU A 33 9.322 9.502 2.847 1.00 0.00 C ATOM 547 CG GLU A 33 7.933 9.483 3.461 1.00 0.00 C ATOM 548 CD GLU A 33 7.729 10.599 4.460 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.546 11.756 4.028 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.756 10.330 5.677 1.00 0.00 O ATOM 0 H GLU A 33 9.469 7.023 3.194 1.00 0.00 H new ATOM 0 HA GLU A 33 8.750 8.708 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.058 9.292 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.532 10.504 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.188 9.567 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.769 8.524 3.953 1.00 0.00 H new ATOM 557 N ALA A 34 10.985 9.554 0.128 1.00 0.00 N ATOM 558 CA ALA A 34 12.214 9.739 -0.637 1.00 0.00 C ATOM 559 C ALA A 34 13.304 10.394 0.205 1.00 0.00 C ATOM 560 O ALA A 34 14.427 10.600 -0.259 1.00 0.00 O ATOM 561 CB ALA A 34 11.937 10.565 -1.882 1.00 0.00 C ATOM 0 H ALA A 34 10.231 10.189 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 34 12.574 8.755 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.861 10.696 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.204 10.051 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.547 11.541 -1.592 1.00 0.00 H new ATOM 567 N ASP A 35 12.957 10.720 1.438 1.00 0.00 N ATOM 568 CA ASP A 35 13.904 11.287 2.387 1.00 0.00 C ATOM 569 C ASP A 35 13.547 10.845 3.800 1.00 0.00 C ATOM 570 O ASP A 35 14.419 10.692 4.658 1.00 0.00 O ATOM 571 CB ASP A 35 13.912 12.817 2.291 1.00 0.00 C ATOM 572 CG ASP A 35 14.897 13.458 3.251 1.00 0.00 C ATOM 573 OD1 ASP A 35 16.117 13.388 2.991 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.453 14.054 4.256 1.00 0.00 O ATOM 0 H ASP A 35 12.015 10.600 1.810 1.00 0.00 H new ATOM 0 HA ASP A 35 14.903 10.925 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.160 13.112 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.911 13.195 2.497 1.00 0.00 H new ATOM 579 N GLY A 36 12.258 10.629 4.030 1.00 0.00 N ATOM 580 CA GLY A 36 11.793 10.163 5.321 1.00 0.00 C ATOM 581 C GLY A 36 12.172 8.719 5.595 1.00 0.00 C ATOM 582 O GLY A 36 11.494 7.803 5.126 1.00 0.00 O ATOM 0 H GLY A 36 11.521 10.770 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.209 10.798 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.709 10.265 5.370 1.00 0.00 H new ATOM 586 N ASP A 37 13.308 8.551 6.286 1.00 0.00 N ATOM 587 CA ASP A 37 13.785 7.275 6.835 1.00 0.00 C ATOM 588 C ASP A 37 14.815 6.701 5.897 1.00 0.00 C ATOM 589 O ASP A 37 15.860 6.203 6.315 1.00 0.00 O ATOM 590 CB ASP A 37 12.660 6.254 7.080 1.00 0.00 C ATOM 591 CG ASP A 37 13.131 5.047 7.869 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.790 4.157 7.290 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.834 4.976 9.080 1.00 0.00 O ATOM 0 H ASP A 37 13.941 9.326 6.485 1.00 0.00 H new ATOM 0 HA ASP A 37 14.220 7.480 7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.845 6.739 7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.259 5.924 6.122 1.00 0.00 H new ATOM 598 N CYS A 38 14.529 6.829 4.622 1.00 0.00 N ATOM 599 CA CYS A 38 15.405 6.339 3.590 1.00 0.00 C ATOM 600 C CYS A 38 15.390 7.289 2.402 1.00 0.00 C ATOM 601 O CYS A 38 14.579 8.209 2.356 1.00 0.00 O ATOM 602 CB CYS A 38 14.963 4.950 3.169 1.00 0.00 C ATOM 603 SG CYS A 38 15.237 3.661 4.437 1.00 0.00 S ATOM 0 H CYS A 38 13.681 7.277 4.274 1.00 0.00 H new ATOM 0 HA CYS A 38 16.424 6.284 3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.902 4.978 2.919 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.497 4.670 2.261 1.00 0.00 H new ATOM 608 N HIS A 39 16.278 7.069 1.444 1.00 0.00 N ATOM 609 CA HIS A 39 16.407 7.979 0.317 1.00 0.00 C ATOM 610 C HIS A 39 15.829 7.372 -0.964 1.00 0.00 C ATOM 611 O HIS A 39 16.565 7.083 -1.908 1.00 0.00 O ATOM 612 CB HIS A 39 17.880 8.363 0.122 1.00 0.00 C ATOM 613 CG HIS A 39 18.097 9.511 -0.819 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.158 10.821 -0.401 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.278 9.539 -2.161 1.00 0.00 C ATOM 616 CE1 HIS A 39 18.366 11.604 -1.442 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.445 10.852 -2.524 1.00 0.00 N ATOM 0 H HIS A 39 16.916 6.273 1.424 1.00 0.00 H new ATOM 0 HA HIS A 39 15.832 8.878 0.537 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.309 8.616 1.091 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.424 7.495 -0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.289 8.686 -2.823 1.00 0.00 H new ATOM 0 HE1 HIS A 39 18.456 12.680 -1.414 1.00 0.00 H new ATOM 0 HE2 HIS A 39 18.604 11.191 -3.473 1.00 0.00 H new ATOM 626 N LEU A 40 14.517 7.146 -0.963 1.00 0.00 N ATOM 627 CA LEU A 40 13.775 6.748 -2.163 1.00 0.00 C ATOM 628 C LEU A 40 12.316 6.538 -1.804 1.00 0.00 C ATOM 629 O LEU A 40 12.006 6.161 -0.679 1.00 0.00 O ATOM 630 CB LEU A 40 14.335 5.478 -2.807 1.00 0.00 C ATOM 631 CG LEU A 40 14.216 4.212 -1.973 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.249 3.233 -2.621 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.583 3.590 -1.804 1.00 0.00 C ATOM 0 H LEU A 40 13.935 7.233 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 40 13.878 7.550 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.823 5.317 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.388 5.642 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 40 13.820 4.466 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.177 2.334 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.265 3.695 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.611 2.968 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.498 2.682 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.994 3.343 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 16.244 4.296 -1.301 1.00 0.00 H new ATOM 645 N GLN A 41 11.427 6.783 -2.749 1.00 0.00 N ATOM 646 CA GLN A 41 10.001 6.679 -2.482 1.00 0.00 C ATOM 647 C GLN A 41 9.448 5.345 -2.977 1.00 0.00 C ATOM 648 O GLN A 41 9.784 4.891 -4.074 1.00 0.00 O ATOM 649 CB GLN A 41 9.249 7.843 -3.134 1.00 0.00 C ATOM 650 CG GLN A 41 7.756 7.846 -2.851 1.00 0.00 C ATOM 651 CD GLN A 41 7.027 8.987 -3.536 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.026 9.490 -3.029 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.515 9.402 -4.697 1.00 0.00 N ATOM 0 H GLN A 41 11.663 7.054 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 41 9.854 6.728 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.677 8.782 -2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.405 7.805 -4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.327 6.899 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.595 7.913 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.348 8.961 -5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.058 10.163 -5.200 1.00 0.00 H new ATOM 662 N ALA A 42 8.602 4.725 -2.159 1.00 0.00 N ATOM 663 CA ALA A 42 7.976 3.455 -2.504 1.00 0.00 C ATOM 664 C ALA A 42 6.677 3.263 -1.733 1.00 0.00 C ATOM 665 O ALA A 42 6.614 3.540 -0.537 1.00 0.00 O ATOM 666 CB ALA A 42 8.921 2.303 -2.207 1.00 0.00 C ATOM 0 H ALA A 42 8.333 5.087 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 42 7.751 3.470 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.440 1.361 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.833 2.420 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.169 2.300 -1.146 1.00 0.00 H new ATOM 672 N PHE A 43 5.645 2.797 -2.416 1.00 0.00 N ATOM 673 CA PHE A 43 4.385 2.470 -1.763 1.00 0.00 C ATOM 674 C PHE A 43 4.373 1.003 -1.377 1.00 0.00 C ATOM 675 O PHE A 43 4.529 0.126 -2.224 1.00 0.00 O ATOM 676 CB PHE A 43 3.197 2.784 -2.670 1.00 0.00 C ATOM 677 CG PHE A 43 2.704 4.195 -2.552 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.751 4.525 -1.600 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.185 5.188 -3.390 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.291 5.822 -1.486 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.726 6.486 -3.280 1.00 0.00 C ATOM 682 CZ PHE A 43 1.779 6.803 -2.326 1.00 0.00 C ATOM 0 H PHE A 43 5.653 2.636 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 43 4.295 3.082 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.481 2.593 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.380 2.102 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.365 3.761 -0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.926 4.945 -4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.550 6.069 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.107 7.252 -3.939 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.420 7.818 -2.237 1.00 0.00 H new ATOM 692 N VAL A 44 4.194 0.737 -0.099 1.00 0.00 N ATOM 693 CA VAL A 44 4.293 -0.616 0.406 1.00 0.00 C ATOM 694 C VAL A 44 2.932 -1.143 0.839 1.00 0.00 C ATOM 695 O VAL A 44 2.258 -0.549 1.683 1.00 0.00 O ATOM 696 CB VAL A 44 5.288 -0.695 1.579 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.477 -2.134 2.042 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.616 -0.081 1.168 1.00 0.00 C ATOM 0 H VAL A 44 3.979 1.440 0.608 1.00 0.00 H new ATOM 0 HA VAL A 44 4.662 -1.242 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 44 4.882 -0.131 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.184 -2.160 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.520 -2.540 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.862 -2.734 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.317 -0.139 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.020 -0.626 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.465 0.963 0.893 1.00 0.00 H new ATOM 708 N LEU A 45 2.531 -2.254 0.239 1.00 0.00 N ATOM 709 CA LEU A 45 1.273 -2.892 0.573 1.00 0.00 C ATOM 710 C LEU A 45 1.507 -3.974 1.609 1.00 0.00 C ATOM 711 O LEU A 45 2.202 -4.962 1.354 1.00 0.00 O ATOM 712 CB LEU A 45 0.612 -3.469 -0.677 1.00 0.00 C ATOM 713 CG LEU A 45 0.235 -2.425 -1.724 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.566 -3.048 -2.854 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.542 -1.294 -1.071 1.00 0.00 C ATOM 0 H LEU A 45 3.065 -2.733 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 45 0.598 -2.146 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.288 -4.194 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.286 -4.012 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 45 1.151 -2.020 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.821 -2.281 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.028 -3.825 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.480 -3.486 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.808 -0.553 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.450 -1.691 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.073 -0.826 -0.303 1.00 0.00 H new ATOM 727 N HIS A 46 0.934 -3.781 2.778 1.00 0.00 N ATOM 728 CA HIS A 46 1.244 -4.620 3.920 1.00 0.00 C ATOM 729 C HIS A 46 0.142 -5.637 4.176 1.00 0.00 C ATOM 730 O HIS A 46 -0.908 -5.298 4.713 1.00 0.00 O ATOM 731 CB HIS A 46 1.435 -3.743 5.155 1.00 0.00 C ATOM 732 CG HIS A 46 2.270 -4.362 6.232 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.227 -3.660 6.926 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.288 -5.618 6.740 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.798 -4.450 7.811 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.247 -5.646 7.721 1.00 0.00 N ATOM 0 H HIS A 46 0.249 -3.049 2.964 1.00 0.00 H new ATOM 0 HA HIS A 46 2.162 -5.167 3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.896 -2.803 4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.456 -3.499 5.567 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.459 -2.678 6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.664 -6.443 6.430 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.584 -4.167 8.495 1.00 0.00 H new ATOM 745 N LEU A 47 0.379 -6.878 3.786 1.00 0.00 N ATOM 746 CA LEU A 47 -0.530 -7.961 4.125 1.00 0.00 C ATOM 747 C LEU A 47 -0.164 -8.497 5.502 1.00 0.00 C ATOM 748 O LEU A 47 0.960 -8.303 5.968 1.00 0.00 O ATOM 749 CB LEU A 47 -0.482 -9.099 3.090 1.00 0.00 C ATOM 750 CG LEU A 47 -1.001 -8.761 1.686 1.00 0.00 C ATOM 751 CD1 LEU A 47 -0.016 -7.885 0.928 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.278 -10.036 0.907 1.00 0.00 C ATOM 0 H LEU A 47 1.190 -7.161 3.236 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.547 -7.568 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.550 -9.438 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.061 -9.938 3.476 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.930 -8.202 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.413 -7.664 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.138 -6.954 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.935 -8.409 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.646 -9.782 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.359 -10.615 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.029 -10.627 1.432 1.00 0.00 H new ATOM 764 N ALA A 48 -1.106 -9.167 6.147 1.00 0.00 N ATOM 765 CA ALA A 48 -0.887 -9.691 7.495 1.00 0.00 C ATOM 766 C ALA A 48 0.207 -10.753 7.514 1.00 0.00 C ATOM 767 O ALA A 48 0.798 -11.031 8.554 1.00 0.00 O ATOM 768 CB ALA A 48 -2.178 -10.259 8.064 1.00 0.00 C ATOM 0 H ALA A 48 -2.030 -9.363 5.763 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.559 -8.860 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.995 -10.644 9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.932 -9.474 8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.533 -11.067 7.424 1.00 0.00 H new ATOM 774 N GLN A 49 0.472 -11.341 6.357 1.00 0.00 N ATOM 775 CA GLN A 49 1.473 -12.386 6.249 1.00 0.00 C ATOM 776 C GLN A 49 2.833 -11.769 5.959 1.00 0.00 C ATOM 777 O GLN A 49 3.833 -12.101 6.595 1.00 0.00 O ATOM 778 CB GLN A 49 1.111 -13.370 5.133 1.00 0.00 C ATOM 779 CG GLN A 49 -0.321 -13.887 5.181 1.00 0.00 C ATOM 780 CD GLN A 49 -1.287 -13.036 4.377 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.445 -13.221 3.171 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.970 -12.124 5.044 1.00 0.00 N ATOM 0 H GLN A 49 0.006 -11.110 5.480 1.00 0.00 H new ATOM 0 HA GLN A 49 1.509 -12.927 7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.276 -12.884 4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.792 -14.220 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.345 -14.909 4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.654 -13.923 6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.812 -11.999 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.655 -11.545 4.559 1.00 0.00 H new ATOM 791 N ARG A 50 2.851 -10.866 4.988 1.00 0.00 N ATOM 792 CA ARG A 50 4.068 -10.190 4.565 1.00 0.00 C ATOM 793 C ARG A 50 3.717 -8.979 3.712 1.00 0.00 C ATOM 794 O ARG A 50 2.573 -8.824 3.293 1.00 0.00 O ATOM 795 CB ARG A 50 4.993 -11.152 3.802 1.00 0.00 C ATOM 796 CG ARG A 50 4.268 -12.215 2.984 1.00 0.00 C ATOM 797 CD ARG A 50 3.575 -11.645 1.759 1.00 0.00 C ATOM 798 NE ARG A 50 2.921 -12.698 0.982 1.00 0.00 N ATOM 799 CZ ARG A 50 3.030 -12.832 -0.339 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.792 -11.999 -1.038 1.00 0.00 N ATOM 801 NH2 ARG A 50 2.399 -13.820 -0.963 1.00 0.00 N ATOM 0 H ARG A 50 2.019 -10.581 4.471 1.00 0.00 H new ATOM 0 HA ARG A 50 4.606 -9.849 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.630 -10.571 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.649 -11.648 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.983 -12.975 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.531 -12.712 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.836 -10.905 2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.303 -11.127 1.134 1.00 0.00 H new ATOM 0 HE ARG A 50 2.344 -13.373 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.298 -11.251 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.871 -12.107 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.830 -14.478 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.484 -13.921 -1.974 1.00 0.00 H new ATOM 815 N SER A 51 4.691 -8.126 3.458 1.00 0.00 N ATOM 816 CA SER A 51 4.452 -6.897 2.724 1.00 0.00 C ATOM 817 C SER A 51 5.058 -6.959 1.325 1.00 0.00 C ATOM 818 O SER A 51 6.015 -7.696 1.079 1.00 0.00 O ATOM 819 CB SER A 51 5.029 -5.724 3.510 1.00 0.00 C ATOM 820 OG SER A 51 6.282 -6.075 4.072 1.00 0.00 O ATOM 0 H SER A 51 5.659 -8.262 3.750 1.00 0.00 H new ATOM 0 HA SER A 51 3.377 -6.762 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.146 -4.861 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.338 -5.432 4.300 1.00 0.00 H new ATOM 0 HG SER A 51 6.164 -6.304 5.017 1.00 0.00 H new ATOM 826 N ILE A 52 4.475 -6.197 0.415 1.00 0.00 N ATOM 827 CA ILE A 52 4.963 -6.101 -0.949 1.00 0.00 C ATOM 828 C ILE A 52 5.316 -4.650 -1.256 1.00 0.00 C ATOM 829 O ILE A 52 4.570 -3.738 -0.903 1.00 0.00 O ATOM 830 CB ILE A 52 3.907 -6.610 -1.958 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.517 -8.057 -1.635 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.436 -6.505 -3.382 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.386 -8.594 -2.488 1.00 0.00 C ATOM 0 H ILE A 52 3.650 -5.628 0.602 1.00 0.00 H new ATOM 0 HA ILE A 52 5.850 -6.728 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 52 3.018 -5.985 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.391 -8.696 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.229 -8.119 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.680 -6.867 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.669 -5.464 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.339 -7.108 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.169 -9.622 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.497 -7.981 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.677 -8.566 -3.538 1.00 0.00 H new ATOM 845 N CYS A 53 6.442 -4.433 -1.913 1.00 0.00 N ATOM 846 CA CYS A 53 6.910 -3.084 -2.177 1.00 0.00 C ATOM 847 C CYS A 53 6.617 -2.703 -3.619 1.00 0.00 C ATOM 848 O CYS A 53 7.060 -3.371 -4.552 1.00 0.00 O ATOM 849 CB CYS A 53 8.410 -2.995 -1.901 1.00 0.00 C ATOM 850 SG CYS A 53 8.893 -3.589 -0.247 1.00 0.00 S ATOM 0 H CYS A 53 7.047 -5.171 -2.272 1.00 0.00 H new ATOM 0 HA CYS A 53 6.387 -2.389 -1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.943 -3.575 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.729 -1.959 -2.012 1.00 0.00 H new ATOM 855 N ILE A 54 5.863 -1.636 -3.798 1.00 0.00 N ATOM 856 CA ILE A 54 5.443 -1.213 -5.117 1.00 0.00 C ATOM 857 C ILE A 54 6.066 0.133 -5.478 1.00 0.00 C ATOM 858 O ILE A 54 6.293 0.983 -4.614 1.00 0.00 O ATOM 859 CB ILE A 54 3.893 -1.147 -5.201 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.380 -2.135 -6.251 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.395 0.266 -5.497 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.871 -2.220 -6.321 1.00 0.00 C ATOM 0 H ILE A 54 5.527 -1.043 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 54 5.792 -1.950 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 54 3.496 -1.427 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.764 -1.844 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.781 -3.125 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.306 0.265 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.721 0.940 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.802 0.603 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.582 -2.940 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.479 -2.541 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.463 -1.241 -6.571 1.00 0.00 H new ATOM 874 N HIS A 55 6.369 0.300 -6.754 1.00 0.00 N ATOM 875 CA HIS A 55 6.868 1.566 -7.270 1.00 0.00 C ATOM 876 C HIS A 55 5.734 2.587 -7.273 1.00 0.00 C ATOM 877 O HIS A 55 4.625 2.265 -7.678 1.00 0.00 O ATOM 878 CB HIS A 55 7.412 1.351 -8.691 1.00 0.00 C ATOM 879 CG HIS A 55 7.904 2.592 -9.377 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.166 3.263 -10.323 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.073 3.266 -9.270 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.854 4.295 -10.767 1.00 0.00 C ATOM 883 NE2 HIS A 55 9.019 4.322 -10.147 1.00 0.00 N ATOM 0 H HIS A 55 6.277 -0.432 -7.458 1.00 0.00 H new ATOM 0 HA HIS A 55 7.674 1.941 -6.640 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.229 0.631 -8.646 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.627 0.904 -9.301 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.896 3.019 -8.616 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.521 5.001 -11.513 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.756 5.012 -10.294 1.00 0.00 H new ATOM 892 N PRO A 56 5.981 3.814 -6.793 1.00 0.00 N ATOM 893 CA PRO A 56 4.974 4.883 -6.800 1.00 0.00 C ATOM 894 C PRO A 56 4.589 5.293 -8.221 1.00 0.00 C ATOM 895 O PRO A 56 5.122 4.755 -9.189 1.00 0.00 O ATOM 896 CB PRO A 56 5.663 6.045 -6.074 1.00 0.00 C ATOM 897 CG PRO A 56 6.811 5.429 -5.355 1.00 0.00 C ATOM 898 CD PRO A 56 7.242 4.260 -6.190 1.00 0.00 C ATOM 0 HA PRO A 56 4.045 4.569 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.001 6.805 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.981 6.536 -5.380 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.625 6.144 -5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.518 5.108 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.972 4.549 -6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.701 3.478 -5.586 1.00 0.00 H new ATOM 906 N GLN A 57 3.665 6.249 -8.341 1.00 0.00 N ATOM 907 CA GLN A 57 3.158 6.684 -9.648 1.00 0.00 C ATOM 908 C GLN A 57 2.594 5.489 -10.426 1.00 0.00 C ATOM 909 O GLN A 57 2.577 5.480 -11.658 1.00 0.00 O ATOM 910 CB GLN A 57 4.259 7.376 -10.474 1.00 0.00 C ATOM 911 CG GLN A 57 4.766 8.689 -9.886 1.00 0.00 C ATOM 912 CD GLN A 57 5.838 8.506 -8.826 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.612 7.549 -8.861 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.901 9.432 -7.883 1.00 0.00 N ATOM 0 H GLN A 57 3.251 6.739 -7.548 1.00 0.00 H new ATOM 0 HA GLN A 57 2.360 7.406 -9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.101 6.691 -10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.877 7.566 -11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.164 9.308 -10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.926 9.231 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.242 10.210 -7.888 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.609 9.367 -7.151 1.00 0.00 H new ATOM 923 N ASN A 58 2.108 4.500 -9.688 1.00 0.00 N ATOM 924 CA ASN A 58 1.700 3.227 -10.269 1.00 0.00 C ATOM 925 C ASN A 58 0.193 3.027 -10.147 1.00 0.00 C ATOM 926 O ASN A 58 -0.373 3.158 -9.055 1.00 0.00 O ATOM 927 CB ASN A 58 2.444 2.098 -9.552 1.00 0.00 C ATOM 928 CG ASN A 58 2.308 0.745 -10.219 1.00 0.00 C ATOM 929 OD1 ASN A 58 2.105 0.643 -11.425 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.459 -0.308 -9.433 1.00 0.00 N ATOM 0 H ASN A 58 1.986 4.556 -8.677 1.00 0.00 H new ATOM 0 HA ASN A 58 1.949 3.222 -11.330 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.501 2.356 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.074 2.026 -8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.408 -1.248 -9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.626 -0.180 -8.435 1.00 0.00 H new ATOM 937 N PRO A 59 -0.475 2.720 -11.273 1.00 0.00 N ATOM 938 CA PRO A 59 -1.922 2.471 -11.309 1.00 0.00 C ATOM 939 C PRO A 59 -2.383 1.426 -10.292 1.00 0.00 C ATOM 940 O PRO A 59 -3.484 1.530 -9.759 1.00 0.00 O ATOM 941 CB PRO A 59 -2.162 1.967 -12.733 1.00 0.00 C ATOM 942 CG PRO A 59 -1.062 2.568 -13.532 1.00 0.00 C ATOM 943 CD PRO A 59 0.129 2.616 -12.617 1.00 0.00 C ATOM 0 HA PRO A 59 -2.483 3.369 -11.052 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.136 0.878 -12.778 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.138 2.278 -13.105 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.850 1.970 -14.418 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.330 3.566 -13.878 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.745 1.722 -12.712 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.770 3.470 -12.836 1.00 0.00 H new ATOM 951 N SER A 60 -1.541 0.429 -10.021 1.00 0.00 N ATOM 952 CA SER A 60 -1.878 -0.625 -9.066 1.00 0.00 C ATOM 953 C SER A 60 -2.241 -0.034 -7.703 1.00 0.00 C ATOM 954 O SER A 60 -3.336 -0.260 -7.186 1.00 0.00 O ATOM 955 CB SER A 60 -0.695 -1.578 -8.918 1.00 0.00 C ATOM 956 OG SER A 60 -0.049 -1.767 -10.166 1.00 0.00 O ATOM 0 H SER A 60 -0.621 0.330 -10.450 1.00 0.00 H new ATOM 0 HA SER A 60 -2.744 -1.169 -9.443 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.013 -1.178 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.040 -2.537 -8.531 1.00 0.00 H new ATOM 0 HG SER A 60 -0.684 -2.148 -10.808 1.00 0.00 H new ATOM 962 N LEU A 61 -1.313 0.732 -7.135 1.00 0.00 N ATOM 963 CA LEU A 61 -1.534 1.397 -5.857 1.00 0.00 C ATOM 964 C LEU A 61 -2.697 2.389 -5.977 1.00 0.00 C ATOM 965 O LEU A 61 -3.494 2.539 -5.056 1.00 0.00 O ATOM 966 CB LEU A 61 -0.255 2.128 -5.417 1.00 0.00 C ATOM 967 CG LEU A 61 0.059 2.115 -3.910 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.148 2.510 -3.086 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.565 0.756 -3.464 1.00 0.00 C ATOM 0 H LEU A 61 -0.395 0.907 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.787 0.649 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.590 1.686 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.326 3.166 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 61 0.845 2.852 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.888 2.489 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.464 3.516 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.962 1.809 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.778 0.780 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.194 0.001 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.476 0.510 -4.010 1.00 0.00 H new ATOM 981 N SER A 62 -2.796 3.047 -7.131 1.00 0.00 N ATOM 982 CA SER A 62 -3.841 4.043 -7.365 1.00 0.00 C ATOM 983 C SER A 62 -5.232 3.408 -7.268 1.00 0.00 C ATOM 984 O SER A 62 -6.115 3.881 -6.528 1.00 0.00 O ATOM 985 CB SER A 62 -3.648 4.691 -8.741 1.00 0.00 C ATOM 986 OG SER A 62 -2.334 5.215 -8.883 1.00 0.00 O ATOM 0 H SER A 62 -2.164 2.908 -7.920 1.00 0.00 H new ATOM 0 HA SER A 62 -3.764 4.811 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.835 3.954 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.377 5.490 -8.875 1.00 0.00 H new ATOM 0 HG SER A 62 -1.699 4.478 -9.001 1.00 0.00 H new ATOM 992 N GLN A 63 -5.408 2.310 -7.994 1.00 0.00 N ATOM 993 CA GLN A 63 -6.648 1.556 -7.950 1.00 0.00 C ATOM 994 C GLN A 63 -6.897 1.054 -6.539 1.00 0.00 C ATOM 995 O GLN A 63 -8.032 1.030 -6.070 1.00 0.00 O ATOM 996 CB GLN A 63 -6.595 0.378 -8.927 1.00 0.00 C ATOM 997 CG GLN A 63 -6.533 0.801 -10.387 1.00 0.00 C ATOM 998 CD GLN A 63 -6.278 -0.357 -11.338 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.692 -0.175 -12.408 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.714 -1.552 -10.964 1.00 0.00 N ATOM 0 H GLN A 63 -4.703 1.924 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.467 2.212 -8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.723 -0.235 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.474 -0.249 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.471 1.285 -10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.744 1.543 -10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.195 -1.663 -10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.569 -2.360 -11.569 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.824 0.680 -5.855 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.930 0.181 -4.497 1.00 0.00 C ATOM 1011 C TRP A 64 -6.374 1.285 -3.540 1.00 0.00 C ATOM 1012 O TRP A 64 -7.056 1.001 -2.568 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.609 -0.456 -4.044 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.662 -1.075 -2.673 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.724 -0.958 -1.688 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.705 -1.902 -2.127 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.117 -1.652 -0.571 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.327 -2.238 -0.815 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.922 -2.390 -2.618 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.119 -3.030 0.010 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.704 -3.176 -1.798 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.302 -3.488 -0.500 1.00 0.00 C ATOM 0 H TRP A 64 -4.872 0.714 -6.221 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.695 -0.595 -4.480 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.321 -1.221 -4.765 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.828 0.304 -4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.804 -0.399 -1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.591 -1.719 0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.243 -2.155 -3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.811 -3.274 1.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.645 -3.557 -2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.939 -4.105 0.116 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.022 2.539 -3.826 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.501 3.662 -3.015 1.00 0.00 C ATOM 1035 C PHE A 65 -8.020 3.632 -2.911 1.00 0.00 C ATOM 1036 O PHE A 65 -8.582 3.670 -1.817 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.073 5.015 -3.596 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.613 5.333 -3.454 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -3.935 5.071 -2.273 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -3.924 5.918 -4.499 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.597 5.388 -2.144 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.586 6.235 -4.378 1.00 0.00 C ATOM 1043 CZ PHE A 65 -1.922 5.969 -3.200 1.00 0.00 C ATOM 0 H PHE A 65 -5.415 2.802 -4.602 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.053 3.552 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.333 5.038 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.650 5.801 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.458 4.615 -1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.440 6.130 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.079 5.182 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.061 6.690 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.875 6.215 -3.103 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.688 3.548 -4.052 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.147 3.527 -4.054 1.00 0.00 C ATOM 1055 C GLU A 66 -10.700 2.144 -3.697 1.00 0.00 C ATOM 1056 O GLU A 66 -11.756 2.026 -3.071 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.681 4.008 -5.383 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.877 5.510 -5.386 1.00 0.00 C ATOM 1059 CD GLU A 66 -12.217 5.937 -4.815 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -13.262 5.600 -5.417 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -12.229 6.631 -3.776 1.00 0.00 O ATOM 0 H GLU A 66 -8.255 3.494 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.490 4.212 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.990 3.728 -6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.629 3.515 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.078 5.976 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.790 5.880 -6.408 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.972 1.096 -4.073 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.386 -0.270 -3.754 1.00 0.00 C ATOM 1070 C HIS A 67 -10.315 -0.525 -2.253 1.00 0.00 C ATOM 1071 O HIS A 67 -11.147 -1.242 -1.707 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.530 -1.307 -4.495 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.962 -1.568 -5.910 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.990 -2.832 -6.473 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.368 -0.718 -6.885 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.391 -2.740 -7.729 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.625 -1.470 -8.001 1.00 0.00 N ATOM 0 H HIS A 67 -9.098 1.164 -4.595 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.419 -0.376 -4.085 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.494 -0.968 -4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.556 -2.245 -3.941 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.741 -3.698 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.470 0.354 -6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.507 -3.565 -8.417 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.327 0.066 -1.589 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.162 -0.111 -0.149 1.00 0.00 C ATOM 1088 C GLN A 68 -10.213 0.696 0.602 1.00 0.00 C ATOM 1089 O GLN A 68 -10.617 0.343 1.708 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.746 0.291 0.293 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.512 1.793 0.364 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.042 2.156 0.445 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.670 3.163 1.034 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.194 1.343 -0.160 1.00 0.00 N ATOM 0 H GLN A 68 -8.629 0.671 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.299 -1.166 0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.548 -0.142 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.025 -0.144 -0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.950 2.266 -0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.029 2.196 1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.539 0.513 -0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.194 1.546 -0.146 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.664 1.769 -0.032 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.735 2.602 0.502 1.00 0.00 C ATOM 1105 C GLU A 69 -13.000 1.771 0.694 1.00 0.00 C ATOM 1106 O GLU A 69 -13.771 1.985 1.633 1.00 0.00 O ATOM 1107 CB GLU A 69 -11.997 3.754 -0.470 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.140 4.678 -0.079 1.00 0.00 C ATOM 1109 CD GLU A 69 -12.834 5.498 1.153 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -11.863 6.284 1.115 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.582 5.378 2.148 1.00 0.00 O ATOM 0 H GLU A 69 -10.299 2.087 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.441 3.004 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.086 4.346 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.207 3.338 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.361 5.348 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.037 4.084 0.099 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.183 0.801 -0.191 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.367 -0.048 -0.174 1.00 0.00 C ATOM 1120 C ARG A 70 -14.011 -1.495 0.180 1.00 0.00 C ATOM 1121 O ARG A 70 -14.683 -2.431 -0.255 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.049 0.017 -1.544 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.114 -0.314 -2.697 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.702 0.086 -4.040 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.897 -0.682 -4.377 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.716 -0.372 -5.380 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -16.490 0.711 -6.117 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.765 -1.140 -5.643 1.00 0.00 N ATOM 0 H ARG A 70 -12.521 0.581 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.050 0.316 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.890 -0.676 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.457 1.017 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.163 0.198 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.904 -1.383 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.949 1.148 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.952 -0.055 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.117 -1.502 -3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.687 1.307 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.119 0.946 -6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.945 -1.969 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.392 -0.902 -6.412 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.972 -1.678 0.990 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.505 -3.020 1.339 1.00 0.00 C ATOM 1144 C LYS A 71 -11.882 -3.017 2.745 1.00 0.00 C ATOM 1145 O LYS A 71 -12.280 -2.214 3.593 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.499 -3.489 0.282 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.455 -4.995 0.061 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.475 -5.350 -1.047 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.944 -4.828 -2.395 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.011 -5.681 -2.980 1.00 0.00 N ATOM 0 H LYS A 71 -12.439 -0.920 1.416 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.345 -3.714 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.737 -3.004 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.505 -3.150 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.163 -5.494 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.450 -5.358 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.495 -4.932 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.357 -6.432 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.316 -3.810 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.098 -4.783 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.597 -5.111 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.578 -6.465 -3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.606 -6.064 -2.218 1.00 0.00 H new ATOM 1164 N LEU A 72 -10.904 -3.906 2.982 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.262 -4.064 4.291 1.00 0.00 C ATOM 1166 C LEU A 72 -11.265 -4.194 5.431 1.00 0.00 C ATOM 1167 O LEU A 72 -11.010 -3.701 6.532 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.307 -2.906 4.588 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.146 -2.763 3.614 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -7.561 -4.116 3.262 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.595 -2.045 2.374 1.00 0.00 C ATOM 0 H LEU A 72 -10.538 -4.535 2.268 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.698 -4.995 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.877 -1.977 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.905 -3.035 5.593 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.365 -2.175 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.733 -3.984 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.199 -4.602 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.330 -4.736 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.756 -1.949 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.394 -2.611 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.961 -1.053 2.640 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.401 -4.844 5.171 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.396 -5.113 6.211 1.00 0.00 C ATOM 1185 C HIS A 73 -14.056 -3.811 6.689 1.00 0.00 C ATOM 1186 O HIS A 73 -14.868 -3.810 7.614 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.716 -5.859 7.374 1.00 0.00 C ATOM 1188 CG HIS A 73 -13.625 -6.256 8.501 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -14.552 -7.265 8.406 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -13.719 -5.782 9.764 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -15.178 -7.396 9.559 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -14.690 -6.508 10.406 1.00 0.00 N ATOM 0 H HIS A 73 -12.655 -5.194 4.247 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.189 -5.740 5.803 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.240 -6.757 6.979 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.923 -5.228 7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.136 -4.979 10.190 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -15.959 -8.110 9.775 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -14.985 -6.383 11.374 1.00 0.00 H new ATOM 1201 N GLY A 74 -13.728 -2.710 6.028 1.00 0.00 N ATOM 1202 CA GLY A 74 -14.242 -1.418 6.432 1.00 0.00 C ATOM 1203 C GLY A 74 -13.467 -0.845 7.595 1.00 0.00 C ATOM 1204 O GLY A 74 -14.042 -0.330 8.554 1.00 0.00 O ATOM 0 H GLY A 74 -13.112 -2.689 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.195 -0.728 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.292 -1.514 6.707 1.00 0.00 H new ATOM 1208 N THR A 75 -12.158 -0.968 7.518 1.00 0.00 N ATOM 1209 CA THR A 75 -11.267 -0.378 8.493 1.00 0.00 C ATOM 1210 C THR A 75 -10.725 0.933 7.949 1.00 0.00 C ATOM 1211 O THR A 75 -11.302 1.503 7.018 1.00 0.00 O ATOM 1212 CB THR A 75 -10.108 -1.342 8.816 1.00 0.00 C ATOM 1213 OG1 THR A 75 -9.463 -1.757 7.606 1.00 0.00 O ATOM 1214 CG2 THR A 75 -10.614 -2.563 9.569 1.00 0.00 C ATOM 0 H THR A 75 -11.682 -1.481 6.776 1.00 0.00 H new ATOM 0 HA THR A 75 -11.818 -0.187 9.414 1.00 0.00 H new ATOM 0 HB THR A 75 -9.392 -0.815 9.447 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.927 -2.538 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.779 -3.229 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.079 -2.248 10.503 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.348 -3.089 8.958 1.00 0.00 H new ATOM 1222 N LEU A 76 -9.662 1.421 8.568 1.00 0.00 N ATOM 1223 CA LEU A 76 -8.905 2.566 8.066 1.00 0.00 C ATOM 1224 C LEU A 76 -9.577 3.886 8.413 1.00 0.00 C ATOM 1225 O LEU A 76 -10.790 3.954 8.631 1.00 0.00 O ATOM 1226 CB LEU A 76 -8.688 2.476 6.546 1.00 0.00 C ATOM 1227 CG LEU A 76 -7.770 1.348 6.084 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -7.799 1.234 4.568 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -6.353 1.597 6.579 1.00 0.00 C ATOM 0 H LEU A 76 -9.295 1.035 9.438 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.934 2.535 8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.658 2.354 6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.276 3.423 6.198 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.123 0.406 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.140 0.426 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.816 1.023 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.462 2.172 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.704 0.788 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.989 2.543 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.350 1.639 7.668 1.00 0.00 H new ATOM 1241 N PRO A 77 -8.779 4.950 8.498 1.00 0.00 N ATOM 1242 CA PRO A 77 -9.280 6.297 8.715 1.00 0.00 C ATOM 1243 C PRO A 77 -9.740 6.933 7.404 1.00 0.00 C ATOM 1244 O PRO A 77 -8.929 7.215 6.524 1.00 0.00 O ATOM 1245 CB PRO A 77 -8.055 7.004 9.288 1.00 0.00 C ATOM 1246 CG PRO A 77 -6.902 6.356 8.606 1.00 0.00 C ATOM 1247 CD PRO A 77 -7.302 4.920 8.404 1.00 0.00 C ATOM 0 HA PRO A 77 -10.153 6.346 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.084 8.075 9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.996 6.883 10.370 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.688 6.840 7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.998 6.429 9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.970 4.544 7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.866 4.272 9.164 1.00 0.00 H new ATOM 1255 N LYS A 78 -11.041 7.139 7.266 1.00 0.00 N ATOM 1256 CA LYS A 78 -11.596 7.636 6.014 1.00 0.00 C ATOM 1257 C LYS A 78 -11.346 9.131 5.845 1.00 0.00 C ATOM 1258 O LYS A 78 -12.115 9.970 6.313 1.00 0.00 O ATOM 1259 CB LYS A 78 -13.084 7.311 5.904 1.00 0.00 C ATOM 1260 CG LYS A 78 -13.356 5.827 5.725 1.00 0.00 C ATOM 1261 CD LYS A 78 -14.797 5.571 5.321 1.00 0.00 C ATOM 1262 CE LYS A 78 -15.044 4.099 5.022 1.00 0.00 C ATOM 1263 NZ LYS A 78 -14.129 3.580 3.967 1.00 0.00 N ATOM 0 H LYS A 78 -11.729 6.971 8.000 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.080 7.124 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.594 7.663 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.508 7.857 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.687 5.422 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.139 5.301 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.463 5.897 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.040 6.167 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.912 3.517 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.078 3.963 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.654 2.942 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.748 4.375 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.346 3.060 4.412 1.00 0.00 H new ATOM 1277 N LEU A 79 -10.239 9.437 5.187 1.00 0.00 N ATOM 1278 CA LEU A 79 -9.826 10.804 4.917 1.00 0.00 C ATOM 1279 C LEU A 79 -8.808 10.796 3.793 1.00 0.00 C ATOM 1280 O LEU A 79 -8.696 9.820 3.056 1.00 0.00 O ATOM 1281 CB LEU A 79 -9.241 11.450 6.185 1.00 0.00 C ATOM 1282 CG LEU A 79 -8.034 10.736 6.799 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -6.824 11.656 6.825 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -8.361 10.261 8.204 1.00 0.00 C ATOM 0 H LEU A 79 -9.595 8.735 4.822 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.690 11.396 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.952 12.474 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.028 11.507 6.937 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.797 9.870 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.977 11.130 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.575 11.959 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.052 12.540 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.494 9.755 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.622 11.117 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.203 9.569 8.168 1.00 0.00 H new ATOM 1296 N ASN A 80 -8.075 11.876 3.658 1.00 0.00 N ATOM 1297 CA ASN A 80 -6.981 11.951 2.704 1.00 0.00 C ATOM 1298 C ASN A 80 -5.744 11.219 3.242 1.00 0.00 C ATOM 1299 O ASN A 80 -4.621 11.707 3.130 1.00 0.00 O ATOM 1300 CB ASN A 80 -6.644 13.416 2.413 1.00 0.00 C ATOM 1301 CG ASN A 80 -6.551 14.253 3.677 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -7.438 15.053 3.978 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -5.509 14.029 4.452 1.00 0.00 N ATOM 0 H ASN A 80 -8.215 12.727 4.202 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.291 11.466 1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.697 13.468 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.406 13.837 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.416 14.527 5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.796 13.358 4.166 1.00 0.00 H new ATOM 1310 N PHE A 81 -5.963 10.031 3.798 1.00 0.00 N ATOM 1311 CA PHE A 81 -4.897 9.248 4.427 1.00 0.00 C ATOM 1312 C PHE A 81 -3.888 8.760 3.395 1.00 0.00 C ATOM 1313 O PHE A 81 -2.722 8.525 3.706 1.00 0.00 O ATOM 1314 CB PHE A 81 -5.495 8.066 5.202 1.00 0.00 C ATOM 1315 CG PHE A 81 -6.249 7.073 4.358 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -7.543 7.341 3.950 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -5.672 5.871 3.985 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -8.248 6.440 3.184 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -6.373 4.962 3.218 1.00 0.00 C ATOM 1320 CZ PHE A 81 -7.664 5.246 2.817 1.00 0.00 C ATOM 0 H PHE A 81 -6.879 9.583 3.827 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.368 9.894 5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.690 7.544 5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.166 8.454 5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.008 8.272 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.664 5.642 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.256 6.668 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.912 4.028 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.214 4.535 2.218 1.00 0.00 H new ATOM 1330 N GLY A 82 -4.351 8.615 2.163 1.00 0.00 N ATOM 1331 CA GLY A 82 -3.467 8.263 1.072 1.00 0.00 C ATOM 1332 C GLY A 82 -3.041 9.493 0.297 1.00 0.00 C ATOM 1333 O GLY A 82 -2.736 9.408 -0.891 1.00 0.00 O ATOM 0 H GLY A 82 -5.329 8.736 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.587 7.753 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.970 7.564 0.403 1.00 0.00 H new ATOM 1337 N MET A 83 -3.043 10.636 0.992 1.00 0.00 N ATOM 1338 CA MET A 83 -2.700 11.940 0.430 1.00 0.00 C ATOM 1339 C MET A 83 -3.738 12.424 -0.573 1.00 0.00 C ATOM 1340 O MET A 83 -4.427 13.416 -0.349 1.00 0.00 O ATOM 1341 CB MET A 83 -1.313 11.921 -0.211 1.00 0.00 C ATOM 1342 CG MET A 83 -0.189 11.612 0.765 1.00 0.00 C ATOM 1343 SD MET A 83 1.439 11.664 -0.012 1.00 0.00 S ATOM 1344 CE MET A 83 1.246 10.397 -1.259 1.00 0.00 C ATOM 0 H MET A 83 -3.289 10.677 1.981 1.00 0.00 H new ATOM 0 HA MET A 83 -2.689 12.644 1.262 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.302 11.179 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 83 -1.124 12.890 -0.674 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.219 12.328 1.586 1.00 0.00 H new ATOM 0 HG3 MET A 83 -0.350 10.624 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.227 10.028 -1.558 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.657 9.574 -0.854 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.736 10.815 -2.127 1.00 0.00 H new ATOM 1354 N LEU A 84 -3.856 11.694 -1.655 1.00 0.00 N ATOM 1355 CA LEU A 84 -4.707 12.075 -2.772 1.00 0.00 C ATOM 1356 C LEU A 84 -6.124 11.515 -2.646 1.00 0.00 C ATOM 1357 O LEU A 84 -6.925 11.640 -3.569 1.00 0.00 O ATOM 1358 CB LEU A 84 -4.054 11.626 -4.084 1.00 0.00 C ATOM 1359 CG LEU A 84 -3.453 10.223 -4.056 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -4.542 9.195 -3.844 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -2.684 9.942 -5.332 1.00 0.00 C ATOM 0 H LEU A 84 -3.364 10.811 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.806 13.160 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.800 11.670 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.269 12.336 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.752 10.161 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.102 8.198 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.045 9.388 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.265 9.258 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.264 8.937 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.356 10.019 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.878 10.668 -5.438 1.00 0.00 H new ATOM 1373 N ARG A 85 -6.433 10.906 -1.504 1.00 0.00 N ATOM 1374 CA ARG A 85 -7.733 10.260 -1.313 1.00 0.00 C ATOM 1375 C ARG A 85 -8.879 11.254 -1.442 1.00 0.00 C ATOM 1376 O ARG A 85 -8.773 12.395 -0.991 1.00 0.00 O ATOM 1377 CB ARG A 85 -7.822 9.565 0.045 1.00 0.00 C ATOM 1378 CG ARG A 85 -6.972 8.312 0.164 1.00 0.00 C ATOM 1379 CD ARG A 85 -7.449 7.241 -0.803 1.00 0.00 C ATOM 1380 NE ARG A 85 -8.877 6.969 -0.647 1.00 0.00 N ATOM 1381 CZ ARG A 85 -9.762 7.005 -1.643 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -9.386 7.313 -2.882 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -11.035 6.756 -1.399 1.00 0.00 N ATOM 0 H ARG A 85 -5.807 10.845 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.823 9.512 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.521 10.269 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.862 9.304 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.929 8.554 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.017 7.932 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.249 7.559 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.884 6.324 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.219 6.736 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.408 7.526 -3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.075 7.336 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.339 6.537 -0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.715 6.783 -2.159 1.00 0.00 H new ATOM 1397 N LYS A 86 -9.960 10.801 -2.086 1.00 0.00 N ATOM 1398 CA LYS A 86 -11.185 11.588 -2.276 1.00 0.00 C ATOM 1399 C LYS A 86 -10.998 12.690 -3.318 1.00 0.00 C ATOM 1400 O LYS A 86 -11.969 13.173 -3.907 1.00 0.00 O ATOM 1401 CB LYS A 86 -11.692 12.161 -0.949 1.00 0.00 C ATOM 1402 CG LYS A 86 -12.168 11.088 0.020 1.00 0.00 C ATOM 1403 CD LYS A 86 -12.832 11.692 1.245 1.00 0.00 C ATOM 1404 CE LYS A 86 -14.031 12.547 0.867 1.00 0.00 C ATOM 1405 NZ LYS A 86 -15.083 11.768 0.162 1.00 0.00 N ATOM 0 H LYS A 86 -10.010 9.868 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.946 10.908 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.894 12.738 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.511 12.852 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.871 10.427 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.321 10.476 0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.150 10.895 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.109 12.299 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.454 12.992 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.702 13.368 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.938 12.351 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.738 11.492 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.309 10.914 0.711 1.00 0.00 H new ATOM 1419 N MET A 87 -9.755 13.081 -3.544 1.00 0.00 N ATOM 1420 CA MET A 87 -9.426 13.996 -4.626 1.00 0.00 C ATOM 1421 C MET A 87 -9.168 13.196 -5.895 1.00 0.00 C ATOM 1422 O MET A 87 -9.328 13.696 -7.011 1.00 0.00 O ATOM 1423 CB MET A 87 -8.197 14.838 -4.274 1.00 0.00 C ATOM 1424 CG MET A 87 -8.400 15.743 -3.070 1.00 0.00 C ATOM 1425 SD MET A 87 -6.973 16.793 -2.735 1.00 0.00 S ATOM 1426 CE MET A 87 -5.713 15.556 -2.426 1.00 0.00 C ATOM 0 H MET A 87 -8.954 12.778 -2.991 1.00 0.00 H new ATOM 0 HA MET A 87 -10.264 14.675 -4.783 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.356 14.173 -4.080 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.928 15.449 -5.135 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.276 16.370 -3.237 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.609 15.131 -2.193 1.00 0.00 H new ATOM 0 HE1 MET A 87 -4.907 15.997 -1.840 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.149 14.723 -1.875 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.317 15.195 -3.375 1.00 0.00 H new ATOM 1436 N GLY A 88 -8.777 11.946 -5.704 1.00 0.00 N ATOM 1437 CA GLY A 88 -8.541 11.050 -6.809 1.00 0.00 C ATOM 1438 C GLY A 88 -8.054 9.699 -6.329 1.00 0.00 C ATOM 1439 O GLY A 88 -7.309 9.032 -7.079 1.00 0.00 O ATOM 1440 OXT GLY A 88 -8.400 9.311 -5.192 1.00 0.00 O ATOM 0 H GLY A 88 -8.617 11.533 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.460 10.925 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.803 11.486 -7.482 1.00 0.00 H new TER 1444 GLY A 88