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 46 HIS : no HE2:sc= -2.11! C(o=-1.8!,f=-4.7!) USER MOD Set 1.2: A 51 SER OG : rot 100:sc= 0.362 USER MOD Single : A 1 PHE N :NH3+ -144:sc= 0.525 (180deg=0.0168) USER MOD Single : A 6 SER OG : rot -35:sc= 0.463 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00693 USER MOD Single : A 12 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.46) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.952 K(o=-0.95,f=-4!) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.3 F(o=-3.4!,f=-2.3) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.14 F(o=-0.68,f=-0.14) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.18 F(o=-1.3!,f=-0.18) USER MOD Single : A 49 GLN : amide:sc= -3.47! C(o=-3.5!,f=-3.5!) USER MOD Single : A 55 HIS : no HE2:sc= -0.578 K(o=-0.58,f=-4.3!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.255 F(o=-3.2!,f=-0.25) USER MOD Single : A 58 ASN : amide:sc= -3.33! C(o=-3.3!,f=-6.5!) USER MOD Single : A 60 SER OG : rot -100:sc= 0.672 USER MOD Single : A 62 SER OG : rot 136:sc= 0.679 USER MOD Single : A 63 GLN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.1!) USER MOD Single : A 68 GLN :FLIP amide:sc= -2.38 F(o=-4.4!,f=-2.4) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.184) USER MOD Single : A 73 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.0031) USER MOD Single : A 75 THR OG1 : rot 43:sc= 0.00414 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0599) USER MOD Single : A 80 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 13.741 -12.776 1.336 1.00 0.00 N ATOM 2 CA PHE A 1 13.639 -11.602 2.228 1.00 0.00 C ATOM 3 C PHE A 1 12.185 -11.236 2.458 1.00 0.00 C ATOM 4 O PHE A 1 11.355 -11.318 1.550 1.00 0.00 O ATOM 5 CB PHE A 1 14.417 -10.405 1.655 1.00 0.00 C ATOM 6 CG PHE A 1 14.041 -10.016 0.246 1.00 0.00 C ATOM 7 CD1 PHE A 1 13.004 -9.125 0.007 1.00 0.00 C ATOM 8 CD2 PHE A 1 14.734 -10.532 -0.837 1.00 0.00 C ATOM 9 CE1 PHE A 1 12.667 -8.760 -1.282 1.00 0.00 C ATOM 10 CE2 PHE A 1 14.400 -10.172 -2.129 1.00 0.00 C ATOM 11 CZ PHE A 1 13.366 -9.285 -2.352 1.00 0.00 C ATOM 0 H1 PHE A 1 14.540 -13.371 1.635 1.00 0.00 H new ATOM 0 H2 PHE A 1 12.861 -13.328 1.387 1.00 0.00 H new ATOM 0 H3 PHE A 1 13.893 -12.457 0.358 1.00 0.00 H new ATOM 0 HA PHE A 1 14.086 -11.864 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 1 14.263 -9.545 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 1 15.482 -10.637 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 1 12.454 -8.712 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 1 15.546 -11.224 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 1 11.858 -8.065 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 1 14.948 -10.584 -2.964 1.00 0.00 H new ATOM 0 HZ PHE A 1 13.104 -9.002 -3.361 1.00 0.00 H new ATOM 23 N LEU A 2 11.888 -10.865 3.686 1.00 0.00 N ATOM 24 CA LEU A 2 10.564 -10.412 4.065 1.00 0.00 C ATOM 25 C LEU A 2 10.689 -9.001 4.603 1.00 0.00 C ATOM 26 O LEU A 2 11.651 -8.699 5.306 1.00 0.00 O ATOM 27 CB LEU A 2 9.966 -11.365 5.115 1.00 0.00 C ATOM 28 CG LEU A 2 8.560 -11.025 5.630 1.00 0.00 C ATOM 29 CD1 LEU A 2 7.826 -12.299 6.022 1.00 0.00 C ATOM 30 CD2 LEU A 2 8.632 -10.089 6.829 1.00 0.00 C ATOM 0 H LEU A 2 12.560 -10.869 4.453 1.00 0.00 H new ATOM 0 HA LEU A 2 9.892 -10.411 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.940 -12.368 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.643 -11.399 5.969 1.00 0.00 H new ATOM 0 HG LEU A 2 8.017 -10.524 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.830 -12.048 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.741 -12.952 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.381 -12.811 6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.623 -9.863 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.192 -10.568 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.132 -9.165 6.539 1.00 0.00 H new ATOM 42 N LEU A 3 9.751 -8.137 4.254 1.00 0.00 N ATOM 43 CA LEU A 3 9.804 -6.754 4.703 1.00 0.00 C ATOM 44 C LEU A 3 9.120 -6.602 6.056 1.00 0.00 C ATOM 45 O LEU A 3 7.890 -6.657 6.154 1.00 0.00 O ATOM 46 CB LEU A 3 9.173 -5.807 3.672 1.00 0.00 C ATOM 47 CG LEU A 3 10.068 -5.429 2.481 1.00 0.00 C ATOM 48 CD1 LEU A 3 11.372 -4.814 2.965 1.00 0.00 C ATOM 49 CD2 LEU A 3 10.345 -6.634 1.593 1.00 0.00 C ATOM 0 H LEU A 3 8.949 -8.365 3.666 1.00 0.00 H new ATOM 0 HA LEU A 3 10.853 -6.480 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.265 -6.271 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.872 -4.892 4.182 1.00 0.00 H new ATOM 0 HG LEU A 3 9.534 -4.689 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.992 -4.553 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.158 -3.916 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.902 -5.532 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.980 -6.334 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.849 -7.406 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.404 -7.026 1.208 1.00 0.00 H new ATOM 61 N PRO A 4 9.924 -6.422 7.117 1.00 0.00 N ATOM 62 CA PRO A 4 9.422 -6.258 8.484 1.00 0.00 C ATOM 63 C PRO A 4 8.629 -4.963 8.654 1.00 0.00 C ATOM 64 O PRO A 4 8.870 -3.984 7.946 1.00 0.00 O ATOM 65 CB PRO A 4 10.692 -6.215 9.348 1.00 0.00 C ATOM 66 CG PRO A 4 11.788 -6.725 8.474 1.00 0.00 C ATOM 67 CD PRO A 4 11.394 -6.378 7.068 1.00 0.00 C ATOM 0 HA PRO A 4 8.738 -7.062 8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.901 -5.201 9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.581 -6.833 10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.741 -6.266 8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.910 -7.802 8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.759 -5.393 6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.796 -7.091 6.348 1.00 0.00 H new ATOM 75 N PRO A 5 7.676 -4.943 9.602 1.00 0.00 N ATOM 76 CA PRO A 5 6.838 -3.768 9.867 1.00 0.00 C ATOM 77 C PRO A 5 7.662 -2.514 10.152 1.00 0.00 C ATOM 78 O PRO A 5 8.523 -2.514 11.036 1.00 0.00 O ATOM 79 CB PRO A 5 6.032 -4.171 11.105 1.00 0.00 C ATOM 80 CG PRO A 5 6.017 -5.660 11.078 1.00 0.00 C ATOM 81 CD PRO A 5 7.337 -6.071 10.488 1.00 0.00 C ATOM 0 HA PRO A 5 6.221 -3.511 9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.495 -3.796 12.018 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.021 -3.764 11.069 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.893 -6.068 12.081 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.187 -6.032 10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.094 -6.219 11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.257 -7.007 9.935 1.00 0.00 H new ATOM 89 N SER A 6 7.415 -1.471 9.360 1.00 0.00 N ATOM 90 CA SER A 6 8.070 -0.173 9.520 1.00 0.00 C ATOM 91 C SER A 6 9.539 -0.254 9.093 1.00 0.00 C ATOM 92 O SER A 6 10.319 0.669 9.316 1.00 0.00 O ATOM 93 CB SER A 6 7.937 0.329 10.969 1.00 0.00 C ATOM 94 OG SER A 6 8.400 1.663 11.113 1.00 0.00 O ATOM 0 H SER A 6 6.752 -1.503 8.586 1.00 0.00 H new ATOM 0 HA SER A 6 7.572 0.547 8.871 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.893 0.272 11.278 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.503 -0.325 11.633 1.00 0.00 H new ATOM 0 HG SER A 6 9.163 1.811 10.516 1.00 0.00 H new ATOM 100 N THR A 7 9.907 -1.359 8.460 1.00 0.00 N ATOM 101 CA THR A 7 11.258 -1.535 7.958 1.00 0.00 C ATOM 102 C THR A 7 11.220 -1.773 6.456 1.00 0.00 C ATOM 103 O THR A 7 11.099 -2.912 5.999 1.00 0.00 O ATOM 104 CB THR A 7 11.963 -2.719 8.650 1.00 0.00 C ATOM 105 OG1 THR A 7 11.832 -2.590 10.073 1.00 0.00 O ATOM 106 CG2 THR A 7 13.441 -2.778 8.272 1.00 0.00 C ATOM 0 H THR A 7 9.285 -2.148 8.283 1.00 0.00 H new ATOM 0 HA THR A 7 11.821 -0.627 8.176 1.00 0.00 H new ATOM 0 HB THR A 7 11.490 -3.643 8.317 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.279 -3.344 10.512 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.912 -3.623 8.775 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.536 -2.899 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.932 -1.854 8.578 1.00 0.00 H new ATOM 114 N ALA A 8 11.299 -0.699 5.687 1.00 0.00 N ATOM 115 CA ALA A 8 11.174 -0.811 4.250 1.00 0.00 C ATOM 116 C ALA A 8 12.148 0.101 3.522 1.00 0.00 C ATOM 117 O ALA A 8 11.825 1.234 3.181 1.00 0.00 O ATOM 118 CB ALA A 8 9.744 -0.519 3.820 1.00 0.00 C ATOM 0 H ALA A 8 11.448 0.249 6.033 1.00 0.00 H new ATOM 0 HA ALA A 8 11.425 -1.836 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.665 -0.607 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.069 -1.233 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.472 0.492 4.123 1.00 0.00 H new ATOM 124 N CYS A 9 13.349 -0.392 3.299 1.00 0.00 N ATOM 125 CA CYS A 9 14.274 0.271 2.406 1.00 0.00 C ATOM 126 C CYS A 9 14.319 -0.525 1.119 1.00 0.00 C ATOM 127 O CYS A 9 15.101 -1.463 0.968 1.00 0.00 O ATOM 128 CB CYS A 9 15.666 0.409 3.030 1.00 0.00 C ATOM 129 SG CYS A 9 16.856 1.379 2.033 1.00 0.00 S ATOM 0 H CYS A 9 13.706 -1.248 3.723 1.00 0.00 H new ATOM 0 HA CYS A 9 13.934 1.287 2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.566 0.877 4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.077 -0.587 3.194 1.00 0.00 H new ATOM 134 N CYS A 10 13.415 -0.180 0.222 1.00 0.00 N ATOM 135 CA CYS A 10 13.204 -0.943 -0.989 1.00 0.00 C ATOM 136 C CYS A 10 14.372 -0.823 -1.947 1.00 0.00 C ATOM 137 O CYS A 10 14.699 0.261 -2.413 1.00 0.00 O ATOM 138 CB CYS A 10 11.932 -0.468 -1.677 1.00 0.00 C ATOM 139 SG CYS A 10 10.457 -0.526 -0.615 1.00 0.00 S ATOM 0 H CYS A 10 12.809 0.635 0.314 1.00 0.00 H new ATOM 0 HA CYS A 10 13.112 -1.992 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.078 0.555 -2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.757 -1.082 -2.560 1.00 0.00 H new ATOM 144 N THR A 11 15.000 -1.947 -2.230 1.00 0.00 N ATOM 145 CA THR A 11 16.000 -2.010 -3.273 1.00 0.00 C ATOM 146 C THR A 11 15.371 -2.552 -4.552 1.00 0.00 C ATOM 147 O THR A 11 16.062 -2.895 -5.509 1.00 0.00 O ATOM 148 CB THR A 11 17.171 -2.908 -2.846 1.00 0.00 C ATOM 149 OG1 THR A 11 16.664 -4.165 -2.371 1.00 0.00 O ATOM 150 CG2 THR A 11 17.996 -2.241 -1.754 1.00 0.00 C ATOM 0 H THR A 11 14.833 -2.831 -1.749 1.00 0.00 H new ATOM 0 HA THR A 11 16.383 -1.005 -3.453 1.00 0.00 H new ATOM 0 HB THR A 11 17.814 -3.073 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.412 -4.738 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.819 -2.896 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.395 -1.297 -2.125 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.365 -2.052 -0.886 1.00 0.00 H new ATOM 158 N GLN A 12 14.045 -2.621 -4.542 1.00 0.00 N ATOM 159 CA GLN A 12 13.275 -3.131 -5.667 1.00 0.00 C ATOM 160 C GLN A 12 11.836 -2.623 -5.601 1.00 0.00 C ATOM 161 O GLN A 12 11.380 -2.173 -4.549 1.00 0.00 O ATOM 162 CB GLN A 12 13.309 -4.672 -5.716 1.00 0.00 C ATOM 163 CG GLN A 12 13.218 -5.388 -4.363 1.00 0.00 C ATOM 164 CD GLN A 12 11.950 -5.086 -3.586 1.00 0.00 C ATOM 165 OE1 GLN A 12 10.914 -5.713 -3.796 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.041 -4.158 -2.648 1.00 0.00 N ATOM 0 H GLN A 12 13.473 -2.324 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 12 13.732 -2.761 -6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.485 -5.014 -6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.232 -4.980 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.283 -6.463 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.079 -5.106 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.920 -3.661 -2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.232 -3.940 -2.066 1.00 0.00 H new ATOM 175 N LEU A 13 11.140 -2.674 -6.728 1.00 0.00 N ATOM 176 CA LEU A 13 9.741 -2.261 -6.796 1.00 0.00 C ATOM 177 C LEU A 13 8.944 -3.268 -7.621 1.00 0.00 C ATOM 178 O LEU A 13 9.412 -3.731 -8.664 1.00 0.00 O ATOM 179 CB LEU A 13 9.630 -0.855 -7.403 1.00 0.00 C ATOM 180 CG LEU A 13 10.320 0.254 -6.597 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.381 1.547 -7.393 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.595 0.485 -5.280 1.00 0.00 C ATOM 0 H LEU A 13 11.523 -3.000 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 13 9.329 -2.231 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.056 -0.874 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.575 -0.604 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 13 11.340 -0.068 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.874 2.317 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.943 1.382 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.370 1.871 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.098 1.275 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.565 0.781 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.602 -0.434 -4.695 1.00 0.00 H new ATOM 194 N TYR A 14 7.750 -3.614 -7.147 1.00 0.00 N ATOM 195 CA TYR A 14 6.940 -4.652 -7.781 1.00 0.00 C ATOM 196 C TYR A 14 6.486 -4.242 -9.187 1.00 0.00 C ATOM 197 O TYR A 14 6.518 -5.058 -10.110 1.00 0.00 O ATOM 198 CB TYR A 14 5.730 -4.987 -6.906 1.00 0.00 C ATOM 199 CG TYR A 14 4.934 -6.174 -7.399 1.00 0.00 C ATOM 200 CD1 TYR A 14 5.502 -7.441 -7.455 1.00 0.00 C ATOM 201 CD2 TYR A 14 3.617 -6.029 -7.806 1.00 0.00 C ATOM 202 CE1 TYR A 14 4.777 -8.528 -7.903 1.00 0.00 C ATOM 203 CE2 TYR A 14 2.885 -7.111 -8.256 1.00 0.00 C ATOM 204 CZ TYR A 14 3.468 -8.357 -8.304 1.00 0.00 C ATOM 205 OH TYR A 14 2.740 -9.437 -8.751 1.00 0.00 O ATOM 0 H TYR A 14 7.321 -3.190 -6.324 1.00 0.00 H new ATOM 0 HA TYR A 14 7.563 -5.540 -7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.071 -5.186 -5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.076 -4.117 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.527 -7.578 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.155 -5.053 -7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.232 -9.507 -7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.860 -6.980 -8.569 1.00 0.00 H new ATOM 0 HH TYR A 14 1.837 -9.145 -8.993 1.00 0.00 H new ATOM 215 N ARG A 15 6.038 -2.990 -9.328 1.00 0.00 N ATOM 216 CA ARG A 15 5.681 -2.399 -10.633 1.00 0.00 C ATOM 217 C ARG A 15 4.337 -2.892 -11.183 1.00 0.00 C ATOM 218 O ARG A 15 3.685 -2.182 -11.948 1.00 0.00 O ATOM 219 CB ARG A 15 6.774 -2.656 -11.676 1.00 0.00 C ATOM 220 CG ARG A 15 8.045 -1.853 -11.466 1.00 0.00 C ATOM 221 CD ARG A 15 9.114 -2.277 -12.457 1.00 0.00 C ATOM 222 NE ARG A 15 10.270 -1.383 -12.458 1.00 0.00 N ATOM 223 CZ ARG A 15 11.526 -1.803 -12.594 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.801 -3.101 -12.560 1.00 0.00 N ATOM 225 NH2 ARG A 15 12.512 -0.924 -12.723 1.00 0.00 N ATOM 0 H ARG A 15 5.911 -2.352 -8.542 1.00 0.00 H new ATOM 0 HA ARG A 15 5.586 -1.329 -10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.024 -3.717 -11.668 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.375 -2.430 -12.665 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.834 -0.790 -11.583 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.408 -1.996 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.443 -3.289 -12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.684 -2.308 -13.458 1.00 0.00 H new ATOM 0 HE ARG A 15 10.106 -0.382 -12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.050 -3.778 -12.430 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.764 -3.421 -12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.308 0.075 -12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.474 -1.248 -12.827 1.00 0.00 H new ATOM 239 N LYS A 16 3.923 -4.089 -10.807 1.00 0.00 N ATOM 240 CA LYS A 16 2.746 -4.704 -11.411 1.00 0.00 C ATOM 241 C LYS A 16 1.515 -4.584 -10.513 1.00 0.00 C ATOM 242 O LYS A 16 1.628 -4.225 -9.339 1.00 0.00 O ATOM 243 CB LYS A 16 3.037 -6.176 -11.715 1.00 0.00 C ATOM 244 CG LYS A 16 4.281 -6.384 -12.565 1.00 0.00 C ATOM 245 CD LYS A 16 4.217 -5.591 -13.861 1.00 0.00 C ATOM 246 CE LYS A 16 5.527 -5.675 -14.626 1.00 0.00 C ATOM 247 NZ LYS A 16 5.521 -4.814 -15.837 1.00 0.00 N ATOM 0 H LYS A 16 4.379 -4.655 -10.091 1.00 0.00 H new ATOM 0 HA LYS A 16 2.525 -4.172 -12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.153 -6.717 -10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.179 -6.610 -12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.163 -6.085 -11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.393 -7.444 -12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.406 -5.971 -14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.988 -4.548 -13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.348 -5.377 -13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.711 -6.709 -14.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.433 -4.901 -16.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.754 -5.114 -16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.371 -3.823 -15.558 1.00 0.00 H new ATOM 261 N PRO A 17 0.316 -4.840 -11.072 1.00 0.00 N ATOM 262 CA PRO A 17 -0.929 -4.917 -10.300 1.00 0.00 C ATOM 263 C PRO A 17 -0.991 -6.186 -9.454 1.00 0.00 C ATOM 264 O PRO A 17 -0.922 -7.299 -9.987 1.00 0.00 O ATOM 265 CB PRO A 17 -2.030 -4.942 -11.373 1.00 0.00 C ATOM 266 CG PRO A 17 -1.352 -4.588 -12.654 1.00 0.00 C ATOM 267 CD PRO A 17 0.068 -5.044 -12.505 1.00 0.00 C ATOM 0 HA PRO A 17 -1.025 -4.087 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.495 -5.926 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.821 -4.230 -11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.833 -5.079 -13.500 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.401 -3.515 -12.838 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.192 -6.088 -12.794 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.749 -4.459 -13.123 1.00 0.00 H new ATOM 275 N LEU A 18 -1.114 -6.024 -8.142 1.00 0.00 N ATOM 276 CA LEU A 18 -1.192 -7.169 -7.245 1.00 0.00 C ATOM 277 C LEU A 18 -2.572 -7.812 -7.329 1.00 0.00 C ATOM 278 O LEU A 18 -3.543 -7.168 -7.732 1.00 0.00 O ATOM 279 CB LEU A 18 -0.883 -6.780 -5.792 1.00 0.00 C ATOM 280 CG LEU A 18 0.567 -6.372 -5.511 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.784 -4.908 -5.805 1.00 0.00 C ATOM 282 CD2 LEU A 18 0.959 -6.700 -4.072 1.00 0.00 C ATOM 0 H LEU A 18 -1.162 -5.117 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.436 -7.887 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.536 -5.954 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.136 -7.622 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 18 1.210 -6.949 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.821 -4.645 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.563 -4.711 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.125 -4.309 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.993 -6.400 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.306 -6.162 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.859 -7.772 -3.903 1.00 0.00 H new ATOM 294 N SER A 19 -2.650 -9.085 -6.967 1.00 0.00 N ATOM 295 CA SER A 19 -3.908 -9.815 -6.995 1.00 0.00 C ATOM 296 C SER A 19 -4.898 -9.228 -5.994 1.00 0.00 C ATOM 297 O SER A 19 -4.568 -9.039 -4.824 1.00 0.00 O ATOM 298 CB SER A 19 -3.662 -11.290 -6.681 1.00 0.00 C ATOM 299 OG SER A 19 -2.690 -11.842 -7.553 1.00 0.00 O ATOM 0 H SER A 19 -1.852 -9.635 -6.649 1.00 0.00 H new ATOM 0 HA SER A 19 -4.335 -9.726 -7.994 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.330 -11.395 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.595 -11.845 -6.773 1.00 0.00 H new ATOM 0 HG SER A 19 -2.549 -12.786 -7.330 1.00 0.00 H new ATOM 305 N ASP A 20 -6.112 -8.956 -6.458 1.00 0.00 N ATOM 306 CA ASP A 20 -7.144 -8.353 -5.619 1.00 0.00 C ATOM 307 C ASP A 20 -7.476 -9.258 -4.436 1.00 0.00 C ATOM 308 O ASP A 20 -7.877 -8.791 -3.368 1.00 0.00 O ATOM 309 CB ASP A 20 -8.400 -8.071 -6.442 1.00 0.00 C ATOM 310 CG ASP A 20 -9.409 -7.229 -5.691 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.215 -5.998 -5.608 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.409 -7.789 -5.193 1.00 0.00 O ATOM 0 H ASP A 20 -6.408 -9.144 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.761 -7.409 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.120 -7.560 -7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.862 -9.016 -6.729 1.00 0.00 H new ATOM 317 N LYS A 21 -7.292 -10.559 -4.641 1.00 0.00 N ATOM 318 CA LYS A 21 -7.514 -11.552 -3.596 1.00 0.00 C ATOM 319 C LYS A 21 -6.648 -11.257 -2.372 1.00 0.00 C ATOM 320 O LYS A 21 -7.132 -11.279 -1.243 1.00 0.00 O ATOM 321 CB LYS A 21 -7.189 -12.946 -4.131 1.00 0.00 C ATOM 322 CG LYS A 21 -7.940 -13.298 -5.402 1.00 0.00 C ATOM 323 CD LYS A 21 -7.508 -14.645 -5.952 1.00 0.00 C ATOM 324 CE LYS A 21 -8.246 -14.982 -7.237 1.00 0.00 C ATOM 325 NZ LYS A 21 -7.771 -16.256 -7.834 1.00 0.00 N ATOM 0 H LYS A 21 -6.987 -10.953 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.561 -11.509 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.118 -13.013 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.423 -13.684 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.011 -13.314 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.768 -12.526 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.434 -14.636 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.696 -15.420 -5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.314 -15.053 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.112 -14.173 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.300 -16.448 -8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.757 -16.180 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.923 -17.033 -7.160 1.00 0.00 H new ATOM 339 N LEU A 22 -5.363 -10.993 -2.598 1.00 0.00 N ATOM 340 CA LEU A 22 -4.467 -10.637 -1.506 1.00 0.00 C ATOM 341 C LEU A 22 -4.709 -9.197 -1.061 1.00 0.00 C ATOM 342 O LEU A 22 -4.474 -8.850 0.096 1.00 0.00 O ATOM 343 CB LEU A 22 -2.992 -10.881 -1.889 1.00 0.00 C ATOM 344 CG LEU A 22 -2.423 -10.049 -3.046 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.936 -8.690 -2.562 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.295 -10.805 -3.734 1.00 0.00 C ATOM 0 H LEU A 22 -4.924 -11.019 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.686 -11.286 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.379 -10.697 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.878 -11.935 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.224 -9.879 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.539 -8.125 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.767 -8.143 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.153 -8.828 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.900 -10.204 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.500 -11.006 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.676 -11.748 -4.127 1.00 0.00 H new ATOM 358 N LEU A 23 -5.188 -8.366 -1.989 1.00 0.00 N ATOM 359 CA LEU A 23 -5.448 -6.957 -1.703 1.00 0.00 C ATOM 360 C LEU A 23 -6.489 -6.801 -0.597 1.00 0.00 C ATOM 361 O LEU A 23 -6.280 -6.049 0.348 1.00 0.00 O ATOM 362 CB LEU A 23 -5.904 -6.205 -2.963 1.00 0.00 C ATOM 363 CG LEU A 23 -4.834 -6.018 -4.048 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.389 -5.220 -5.226 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.606 -5.326 -3.470 1.00 0.00 C ATOM 0 H LEU A 23 -5.403 -8.647 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.510 -6.520 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.748 -6.740 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.270 -5.222 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.541 -7.003 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.613 -5.100 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.237 -5.751 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.713 -4.238 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.857 -5.201 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.889 -4.349 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.192 -5.933 -2.665 1.00 0.00 H new ATOM 377 N ARG A 24 -7.596 -7.532 -0.694 1.00 0.00 N ATOM 378 CA ARG A 24 -8.662 -7.450 0.309 1.00 0.00 C ATOM 379 C ARG A 24 -8.182 -7.904 1.697 1.00 0.00 C ATOM 380 O ARG A 24 -8.940 -7.866 2.668 1.00 0.00 O ATOM 381 CB ARG A 24 -9.873 -8.287 -0.127 1.00 0.00 C ATOM 382 CG ARG A 24 -9.646 -9.789 -0.064 1.00 0.00 C ATOM 383 CD ARG A 24 -10.857 -10.557 -0.568 1.00 0.00 C ATOM 384 NE ARG A 24 -10.744 -11.994 -0.318 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.660 -12.891 -0.684 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.765 -12.510 -1.316 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.476 -14.172 -0.406 1.00 0.00 N ATOM 0 H ARG A 24 -7.781 -8.187 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.955 -6.403 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.723 -8.032 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.141 -8.014 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.773 -10.051 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.429 -10.083 0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.755 -10.175 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.975 -10.384 -1.638 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.912 -12.331 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.918 -11.524 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.460 -13.204 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.635 -14.471 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.175 -14.860 -0.685 1.00 0.00 H new ATOM 401 N LYS A 25 -6.927 -8.330 1.784 1.00 0.00 N ATOM 402 CA LYS A 25 -6.336 -8.759 3.045 1.00 0.00 C ATOM 403 C LYS A 25 -5.281 -7.763 3.523 1.00 0.00 C ATOM 404 O LYS A 25 -4.659 -7.959 4.568 1.00 0.00 O ATOM 405 CB LYS A 25 -5.708 -10.141 2.901 1.00 0.00 C ATOM 406 CG LYS A 25 -6.698 -11.220 2.502 1.00 0.00 C ATOM 407 CD LYS A 25 -6.074 -12.597 2.603 1.00 0.00 C ATOM 408 CE LYS A 25 -4.825 -12.707 1.752 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.174 -14.036 1.897 1.00 0.00 N ATOM 0 H LYS A 25 -6.294 -8.387 0.986 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.134 -8.805 3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.914 -10.094 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.242 -10.419 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.577 -11.167 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.039 -11.046 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.826 -12.809 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.797 -13.349 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.082 -12.540 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.121 -11.925 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.323 -14.073 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.906 -14.185 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.837 -14.781 1.602 1.00 0.00 H new ATOM 423 N VAL A 26 -5.077 -6.699 2.753 1.00 0.00 N ATOM 424 CA VAL A 26 -4.131 -5.659 3.131 1.00 0.00 C ATOM 425 C VAL A 26 -4.736 -4.793 4.227 1.00 0.00 C ATOM 426 O VAL A 26 -5.647 -4.010 3.979 1.00 0.00 O ATOM 427 CB VAL A 26 -3.733 -4.769 1.932 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.699 -3.740 2.350 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.201 -5.613 0.784 1.00 0.00 C ATOM 0 H VAL A 26 -5.553 -6.536 1.866 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.228 -6.151 3.492 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.626 -4.246 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.432 -3.123 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.112 -3.108 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.810 -4.248 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.928 -4.964 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.323 -6.167 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.971 -6.313 0.460 1.00 0.00 H new ATOM 439 N ILE A 27 -4.232 -4.956 5.440 1.00 0.00 N ATOM 440 CA ILE A 27 -4.794 -4.282 6.600 1.00 0.00 C ATOM 441 C ILE A 27 -4.582 -2.772 6.542 1.00 0.00 C ATOM 442 O ILE A 27 -5.456 -2.005 6.947 1.00 0.00 O ATOM 443 CB ILE A 27 -4.209 -4.842 7.916 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.677 -4.776 7.903 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.686 -6.270 8.130 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.027 -5.345 9.149 1.00 0.00 C ATOM 0 H ILE A 27 -3.431 -5.552 5.647 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.866 -4.476 6.581 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.562 -4.228 8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.307 -5.318 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.369 -3.737 7.786 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.269 -6.657 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.774 -6.285 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.357 -6.892 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.943 -5.262 9.064 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.366 -4.789 10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.303 -6.394 9.257 1.00 0.00 H new ATOM 458 N GLN A 28 -3.433 -2.350 6.022 1.00 0.00 N ATOM 459 CA GLN A 28 -3.086 -0.935 5.970 1.00 0.00 C ATOM 460 C GLN A 28 -2.086 -0.643 4.862 1.00 0.00 C ATOM 461 O GLN A 28 -1.385 -1.535 4.387 1.00 0.00 O ATOM 462 CB GLN A 28 -2.503 -0.465 7.307 1.00 0.00 C ATOM 463 CG GLN A 28 -3.552 -0.023 8.311 1.00 0.00 C ATOM 464 CD GLN A 28 -4.406 1.118 7.790 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.959 1.922 6.970 1.00 0.00 O ATOM 466 NE2 GLN A 28 -5.637 1.205 8.266 1.00 0.00 N ATOM 0 H GLN A 28 -2.725 -2.971 5.630 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.008 -0.391 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.916 -1.274 7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.818 0.363 7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.193 -0.869 8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.061 0.286 9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.971 0.520 8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.252 1.957 7.955 1.00 0.00 H new ATOM 475 N VAL A 29 -2.042 0.610 4.447 1.00 0.00 N ATOM 476 CA VAL A 29 -1.034 1.071 3.507 1.00 0.00 C ATOM 477 C VAL A 29 -0.016 1.934 4.238 1.00 0.00 C ATOM 478 O VAL A 29 -0.340 2.557 5.253 1.00 0.00 O ATOM 479 CB VAL A 29 -1.648 1.872 2.336 1.00 0.00 C ATOM 480 CG1 VAL A 29 -2.540 0.982 1.486 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.424 3.080 2.848 1.00 0.00 C ATOM 0 H VAL A 29 -2.697 1.332 4.748 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.551 0.191 3.083 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.832 2.236 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.962 1.565 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.952 0.159 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.347 0.582 2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.846 3.626 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.229 2.745 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.753 3.734 3.405 1.00 0.00 H new ATOM 491 N GLU A 30 1.210 1.954 3.752 1.00 0.00 N ATOM 492 CA GLU A 30 2.244 2.752 4.379 1.00 0.00 C ATOM 493 C GLU A 30 3.034 3.526 3.332 1.00 0.00 C ATOM 494 O GLU A 30 3.389 2.996 2.277 1.00 0.00 O ATOM 495 CB GLU A 30 3.168 1.863 5.216 1.00 0.00 C ATOM 496 CG GLU A 30 3.942 0.839 4.403 1.00 0.00 C ATOM 497 CD GLU A 30 4.616 -0.205 5.273 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.413 0.173 6.157 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.350 -1.408 5.084 1.00 0.00 O ATOM 0 H GLU A 30 1.513 1.430 2.931 1.00 0.00 H new ATOM 0 HA GLU A 30 1.770 3.474 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.875 2.495 5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.573 1.342 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.264 0.345 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.696 1.350 3.804 1.00 0.00 H new ATOM 506 N LEU A 31 3.282 4.793 3.616 1.00 0.00 N ATOM 507 CA LEU A 31 4.066 5.623 2.727 1.00 0.00 C ATOM 508 C LEU A 31 5.512 5.654 3.188 1.00 0.00 C ATOM 509 O LEU A 31 5.832 6.206 4.242 1.00 0.00 O ATOM 510 CB LEU A 31 3.495 7.044 2.654 1.00 0.00 C ATOM 511 CG LEU A 31 4.336 8.050 1.859 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.589 7.552 0.442 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.647 9.404 1.828 1.00 0.00 C ATOM 0 H LEU A 31 2.950 5.267 4.456 1.00 0.00 H new ATOM 0 HA LEU A 31 4.022 5.193 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.501 6.996 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.372 7.421 3.669 1.00 0.00 H new ATOM 0 HG LEU A 31 5.300 8.156 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.188 8.284 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.124 6.603 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.637 7.412 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.255 10.109 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.670 9.304 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.521 9.772 2.846 1.00 0.00 H new ATOM 525 N GLN A 32 6.374 5.037 2.402 1.00 0.00 N ATOM 526 CA GLN A 32 7.791 5.040 2.680 1.00 0.00 C ATOM 527 C GLN A 32 8.384 6.327 2.123 1.00 0.00 C ATOM 528 O GLN A 32 8.494 6.500 0.906 1.00 0.00 O ATOM 529 CB GLN A 32 8.456 3.809 2.054 1.00 0.00 C ATOM 530 CG GLN A 32 9.722 3.348 2.769 1.00 0.00 C ATOM 531 CD GLN A 32 10.810 4.400 2.792 1.00 0.00 C ATOM 532 OE1 GLN A 32 11.629 4.421 1.757 1.00 0.00 O flip ATOM 533 NE2 GLN A 32 10.917 5.185 3.734 1.00 0.00 N flip ATOM 0 H GLN A 32 6.111 4.524 1.560 1.00 0.00 H new ATOM 0 HA GLN A 32 7.967 4.995 3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.739 2.988 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.700 4.031 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.473 3.070 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.102 2.452 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.263 5.136 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.659 5.885 3.733 1.00 0.00 H new ATOM 542 N GLU A 33 8.723 7.235 3.024 1.00 0.00 N ATOM 543 CA GLU A 33 9.207 8.558 2.658 1.00 0.00 C ATOM 544 C GLU A 33 10.545 8.465 1.928 1.00 0.00 C ATOM 545 O GLU A 33 11.317 7.536 2.151 1.00 0.00 O ATOM 546 CB GLU A 33 9.341 9.415 3.918 1.00 0.00 C ATOM 547 CG GLU A 33 8.092 9.393 4.783 1.00 0.00 C ATOM 548 CD GLU A 33 8.253 10.160 6.077 1.00 0.00 C ATOM 549 OE1 GLU A 33 9.011 9.702 6.960 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.610 11.219 6.226 1.00 0.00 O ATOM 0 H GLU A 33 8.671 7.076 4.030 1.00 0.00 H new ATOM 0 HA GLU A 33 8.491 9.023 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.189 9.061 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.560 10.443 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.259 9.814 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.833 8.359 5.010 1.00 0.00 H new ATOM 557 N ALA A 34 10.836 9.459 1.097 1.00 0.00 N ATOM 558 CA ALA A 34 12.018 9.440 0.234 1.00 0.00 C ATOM 559 C ALA A 34 13.294 9.756 1.012 1.00 0.00 C ATOM 560 O ALA A 34 14.305 10.156 0.432 1.00 0.00 O ATOM 561 CB ALA A 34 11.837 10.435 -0.899 1.00 0.00 C ATOM 0 H ALA A 34 10.264 10.298 1.000 1.00 0.00 H new ATOM 0 HA ALA A 34 12.123 8.434 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.718 10.420 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.958 10.165 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.706 11.436 -0.487 1.00 0.00 H new ATOM 567 N ASP A 35 13.235 9.540 2.316 1.00 0.00 N ATOM 568 CA ASP A 35 14.337 9.844 3.221 1.00 0.00 C ATOM 569 C ASP A 35 13.944 9.485 4.652 1.00 0.00 C ATOM 570 O ASP A 35 14.749 9.595 5.576 1.00 0.00 O ATOM 571 CB ASP A 35 14.723 11.330 3.148 1.00 0.00 C ATOM 572 CG ASP A 35 13.736 12.237 3.857 1.00 0.00 C ATOM 573 OD1 ASP A 35 12.569 12.327 3.417 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.134 12.882 4.852 1.00 0.00 O ATOM 0 H ASP A 35 12.417 9.146 2.781 1.00 0.00 H new ATOM 0 HA ASP A 35 15.200 9.252 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.711 11.464 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.796 11.629 2.102 1.00 0.00 H new ATOM 579 N GLY A 36 12.708 9.022 4.822 1.00 0.00 N ATOM 580 CA GLY A 36 12.191 8.732 6.148 1.00 0.00 C ATOM 581 C GLY A 36 12.648 7.389 6.676 1.00 0.00 C ATOM 582 O GLY A 36 12.342 7.026 7.813 1.00 0.00 O ATOM 0 H GLY A 36 12.053 8.842 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.509 9.515 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.102 8.755 6.121 1.00 0.00 H new ATOM 586 N ASP A 37 13.373 6.652 5.845 1.00 0.00 N ATOM 587 CA ASP A 37 13.914 5.353 6.224 1.00 0.00 C ATOM 588 C ASP A 37 14.867 4.866 5.142 1.00 0.00 C ATOM 589 O ASP A 37 15.957 4.369 5.424 1.00 0.00 O ATOM 590 CB ASP A 37 12.791 4.332 6.430 1.00 0.00 C ATOM 591 CG ASP A 37 13.293 3.039 7.036 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.555 3.016 8.261 1.00 0.00 O ATOM 593 OD2 ASP A 37 13.440 2.046 6.299 1.00 0.00 O ATOM 0 H ASP A 37 13.602 6.936 4.893 1.00 0.00 H new ATOM 0 HA ASP A 37 14.452 5.460 7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.027 4.762 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.315 4.121 5.472 1.00 0.00 H new ATOM 598 N CYS A 38 14.447 5.036 3.900 1.00 0.00 N ATOM 599 CA CYS A 38 15.260 4.670 2.754 1.00 0.00 C ATOM 600 C CYS A 38 15.356 5.870 1.815 1.00 0.00 C ATOM 601 O CYS A 38 14.527 6.774 1.886 1.00 0.00 O ATOM 602 CB CYS A 38 14.631 3.467 2.050 1.00 0.00 C ATOM 603 SG CYS A 38 15.718 2.602 0.868 1.00 0.00 S ATOM 0 H CYS A 38 13.537 5.430 3.659 1.00 0.00 H new ATOM 0 HA CYS A 38 16.265 4.392 3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.304 2.754 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.739 3.802 1.521 1.00 0.00 H new ATOM 608 N HIS A 39 16.354 5.877 0.937 1.00 0.00 N ATOM 609 CA HIS A 39 16.624 7.040 0.083 1.00 0.00 C ATOM 610 C HIS A 39 15.617 7.197 -1.061 1.00 0.00 C ATOM 611 O HIS A 39 15.781 8.068 -1.913 1.00 0.00 O ATOM 612 CB HIS A 39 18.048 6.975 -0.494 1.00 0.00 C ATOM 613 CG HIS A 39 18.345 5.750 -1.321 1.00 0.00 C ATOM 614 ND1 HIS A 39 17.639 5.140 -2.308 1.00 0.00 N flip ATOM 615 CD2 HIS A 39 19.499 5.010 -1.176 1.00 0.00 C flip ATOM 616 CE1 HIS A 39 18.375 4.063 -2.729 1.00 0.00 C flip ATOM 617 NE2 HIS A 39 19.492 4.006 -2.031 1.00 0.00 N flip ATOM 0 H HIS A 39 16.991 5.094 0.794 1.00 0.00 H new ATOM 0 HA HIS A 39 16.523 7.913 0.727 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.215 7.859 -1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.760 7.020 0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 39 20.289 5.220 -0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 39 18.086 3.372 -3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 39 20.226 3.305 -2.135 1.00 0.00 H new ATOM 626 N LEU A 40 14.592 6.364 -1.097 1.00 0.00 N ATOM 627 CA LEU A 40 13.602 6.448 -2.161 1.00 0.00 C ATOM 628 C LEU A 40 12.191 6.440 -1.597 1.00 0.00 C ATOM 629 O LEU A 40 11.955 5.923 -0.509 1.00 0.00 O ATOM 630 CB LEU A 40 13.803 5.316 -3.184 1.00 0.00 C ATOM 631 CG LEU A 40 13.954 3.896 -2.621 1.00 0.00 C ATOM 632 CD1 LEU A 40 12.607 3.311 -2.221 1.00 0.00 C ATOM 633 CD2 LEU A 40 14.645 3.002 -3.643 1.00 0.00 C ATOM 0 H LEU A 40 14.422 5.629 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 40 13.742 7.396 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.955 5.322 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.691 5.544 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 40 14.569 3.949 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.750 2.305 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.150 3.939 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.955 3.269 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.748 1.996 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.050 2.965 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.632 3.405 -3.870 1.00 0.00 H new ATOM 645 N GLN A 41 11.264 7.030 -2.337 1.00 0.00 N ATOM 646 CA GLN A 41 9.869 7.075 -1.927 1.00 0.00 C ATOM 647 C GLN A 41 9.131 5.864 -2.474 1.00 0.00 C ATOM 648 O GLN A 41 9.281 5.516 -3.648 1.00 0.00 O ATOM 649 CB GLN A 41 9.203 8.360 -2.427 1.00 0.00 C ATOM 650 CG GLN A 41 7.739 8.487 -2.037 1.00 0.00 C ATOM 651 CD GLN A 41 7.087 9.739 -2.596 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.572 10.200 -3.739 1.00 0.00 O flip ATOM 653 NE2 GLN A 41 6.158 10.289 -2.006 1.00 0.00 N flip ATOM 0 H GLN A 41 11.455 7.486 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 41 9.826 7.062 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.749 9.217 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.284 8.401 -3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.196 7.611 -2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.657 8.494 -0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.812 9.903 -1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.734 11.131 -2.396 1.00 0.00 H new ATOM 662 N ALA A 42 8.338 5.225 -1.630 1.00 0.00 N ATOM 663 CA ALA A 42 7.605 4.041 -2.034 1.00 0.00 C ATOM 664 C ALA A 42 6.258 3.959 -1.333 1.00 0.00 C ATOM 665 O ALA A 42 6.088 4.461 -0.225 1.00 0.00 O ATOM 666 CB ALA A 42 8.420 2.793 -1.740 1.00 0.00 C ATOM 0 H ALA A 42 8.187 5.508 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 42 7.425 4.109 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.859 1.911 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.360 2.835 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.627 2.737 -0.671 1.00 0.00 H new ATOM 672 N PHE A 43 5.302 3.335 -1.991 1.00 0.00 N ATOM 673 CA PHE A 43 4.020 3.048 -1.379 1.00 0.00 C ATOM 674 C PHE A 43 3.927 1.565 -1.086 1.00 0.00 C ATOM 675 O PHE A 43 3.678 0.759 -1.974 1.00 0.00 O ATOM 676 CB PHE A 43 2.869 3.485 -2.281 1.00 0.00 C ATOM 677 CG PHE A 43 2.300 4.820 -1.906 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.323 4.912 -0.927 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.741 5.979 -2.522 1.00 0.00 C ATOM 680 CE1 PHE A 43 0.799 6.138 -0.568 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.219 7.208 -2.168 1.00 0.00 C ATOM 682 CZ PHE A 43 1.248 7.286 -1.189 1.00 0.00 C ATOM 0 H PHE A 43 5.390 3.015 -2.956 1.00 0.00 H new ATOM 0 HA PHE A 43 3.942 3.610 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.219 3.523 -3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.079 2.736 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.968 4.016 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.501 5.922 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.039 6.199 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.569 8.106 -2.656 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.840 8.246 -0.909 1.00 0.00 H new ATOM 692 N VAL A 44 4.147 1.207 0.158 1.00 0.00 N ATOM 693 CA VAL A 44 4.238 -0.188 0.530 1.00 0.00 C ATOM 694 C VAL A 44 2.893 -0.690 1.041 1.00 0.00 C ATOM 695 O VAL A 44 2.235 -0.033 1.852 1.00 0.00 O ATOM 696 CB VAL A 44 5.340 -0.399 1.587 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.536 -1.875 1.897 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.640 0.230 1.107 1.00 0.00 C ATOM 0 H VAL A 44 4.266 1.862 0.931 1.00 0.00 H new ATOM 0 HA VAL A 44 4.505 -0.765 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 44 5.029 0.088 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.320 -1.989 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.605 -2.293 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.824 -2.403 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.416 0.079 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.945 -0.236 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.491 1.298 0.950 1.00 0.00 H new ATOM 708 N LEU A 45 2.470 -1.835 0.534 1.00 0.00 N ATOM 709 CA LEU A 45 1.206 -2.420 0.936 1.00 0.00 C ATOM 710 C LEU A 45 1.433 -3.389 2.075 1.00 0.00 C ATOM 711 O LEU A 45 2.125 -4.400 1.926 1.00 0.00 O ATOM 712 CB LEU A 45 0.528 -3.098 -0.253 1.00 0.00 C ATOM 713 CG LEU A 45 0.212 -2.152 -1.413 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.604 -2.854 -2.481 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.523 -0.921 -0.907 1.00 0.00 C ATOM 0 H LEU A 45 2.986 -2.378 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 45 0.538 -1.633 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.171 -3.899 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.398 -3.562 0.086 1.00 0.00 H new ATOM 0 HG LEU A 45 1.155 -1.838 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.815 -2.159 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.043 -3.705 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.542 -3.204 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.741 -0.258 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.456 -1.224 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.100 -0.398 -0.182 1.00 0.00 H new ATOM 727 N HIS A 46 0.844 -3.072 3.212 1.00 0.00 N ATOM 728 CA HIS A 46 1.180 -3.744 4.452 1.00 0.00 C ATOM 729 C HIS A 46 0.127 -4.772 4.831 1.00 0.00 C ATOM 730 O HIS A 46 -0.986 -4.426 5.231 1.00 0.00 O ATOM 731 CB HIS A 46 1.333 -2.713 5.569 1.00 0.00 C ATOM 732 CG HIS A 46 2.089 -3.211 6.758 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.445 -3.063 6.887 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.673 -3.839 7.880 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.837 -3.575 8.033 1.00 0.00 C ATOM 736 NE2 HIS A 46 2.780 -4.054 8.664 1.00 0.00 N ATOM 0 H HIS A 46 0.128 -2.351 3.302 1.00 0.00 H new ATOM 0 HA HIS A 46 2.123 -4.272 4.309 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.840 -1.834 5.171 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.342 -2.391 5.890 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.057 -2.623 6.199 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.657 -4.120 8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.853 -3.600 8.397 1.00 0.00 H new ATOM 745 N LEU A 47 0.481 -6.038 4.699 1.00 0.00 N ATOM 746 CA LEU A 47 -0.373 -7.111 5.163 1.00 0.00 C ATOM 747 C LEU A 47 0.116 -7.567 6.527 1.00 0.00 C ATOM 748 O LEU A 47 1.210 -7.200 6.953 1.00 0.00 O ATOM 749 CB LEU A 47 -0.398 -8.292 4.181 1.00 0.00 C ATOM 750 CG LEU A 47 -1.043 -8.012 2.819 1.00 0.00 C ATOM 751 CD1 LEU A 47 -0.086 -7.257 1.910 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.490 -9.313 2.170 1.00 0.00 C ATOM 0 H LEU A 47 1.355 -6.346 4.274 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.394 -6.737 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.627 -8.624 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.930 -9.120 4.651 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.920 -7.384 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.567 -7.070 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.182 -6.307 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.814 -7.852 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.946 -9.099 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.627 -9.964 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.217 -9.809 2.813 1.00 0.00 H new ATOM 764 N ALA A 48 -0.664 -8.398 7.191 1.00 0.00 N ATOM 765 CA ALA A 48 -0.378 -8.757 8.577 1.00 0.00 C ATOM 766 C ALA A 48 0.724 -9.803 8.663 1.00 0.00 C ATOM 767 O ALA A 48 1.098 -10.241 9.749 1.00 0.00 O ATOM 768 CB ALA A 48 -1.642 -9.254 9.267 1.00 0.00 C ATOM 0 H ALA A 48 -1.497 -8.838 6.801 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.026 -7.862 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.413 -9.518 10.300 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.397 -8.468 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.021 -10.132 8.744 1.00 0.00 H new ATOM 774 N GLN A 49 1.244 -10.200 7.511 1.00 0.00 N ATOM 775 CA GLN A 49 2.269 -11.228 7.459 1.00 0.00 C ATOM 776 C GLN A 49 3.439 -10.794 6.587 1.00 0.00 C ATOM 777 O GLN A 49 4.471 -11.466 6.552 1.00 0.00 O ATOM 778 CB GLN A 49 1.705 -12.543 6.901 1.00 0.00 C ATOM 779 CG GLN A 49 0.409 -13.011 7.557 1.00 0.00 C ATOM 780 CD GLN A 49 -0.829 -12.270 7.074 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.781 -12.088 7.827 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.846 -11.865 5.812 1.00 0.00 N ATOM 0 H GLN A 49 0.973 -9.826 6.602 1.00 0.00 H new ATOM 0 HA GLN A 49 2.614 -11.383 8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.532 -12.423 5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.457 -13.323 7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.281 -14.076 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.495 -12.889 8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.038 -12.032 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.667 -11.387 5.441 1.00 0.00 H new ATOM 791 N ARG A 50 3.285 -9.672 5.890 1.00 0.00 N ATOM 792 CA ARG A 50 4.248 -9.287 4.859 1.00 0.00 C ATOM 793 C ARG A 50 3.984 -7.880 4.348 1.00 0.00 C ATOM 794 O ARG A 50 2.919 -7.314 4.585 1.00 0.00 O ATOM 795 CB ARG A 50 4.167 -10.266 3.690 1.00 0.00 C ATOM 796 CG ARG A 50 2.757 -10.415 3.139 1.00 0.00 C ATOM 797 CD ARG A 50 2.702 -11.409 1.996 1.00 0.00 C ATOM 798 NE ARG A 50 3.313 -12.690 2.355 1.00 0.00 N ATOM 799 CZ ARG A 50 3.423 -13.728 1.528 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.032 -13.631 0.263 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.961 -14.861 1.960 1.00 0.00 N ATOM 0 H ARG A 50 2.512 -9.019 6.017 1.00 0.00 H new ATOM 0 HA ARG A 50 5.242 -9.311 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.829 -9.928 2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.530 -11.241 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.088 -10.740 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.397 -9.445 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.664 -11.571 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.214 -10.993 1.129 1.00 0.00 H new ATOM 0 HE ARG A 50 3.679 -12.794 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.643 -12.755 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.121 -14.433 -0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.289 -14.935 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.047 -15.658 1.329 1.00 0.00 H new ATOM 815 N SER A 51 4.952 -7.340 3.624 1.00 0.00 N ATOM 816 CA SER A 51 4.827 -6.016 3.040 1.00 0.00 C ATOM 817 C SER A 51 5.394 -6.021 1.623 1.00 0.00 C ATOM 818 O SER A 51 6.542 -6.413 1.405 1.00 0.00 O ATOM 819 CB SER A 51 5.571 -4.987 3.902 1.00 0.00 C ATOM 820 OG SER A 51 5.351 -5.214 5.288 1.00 0.00 O ATOM 0 H SER A 51 5.839 -7.803 3.426 1.00 0.00 H new ATOM 0 HA SER A 51 3.773 -5.743 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.639 -5.036 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.239 -3.982 3.639 1.00 0.00 H new ATOM 0 HG SER A 51 6.123 -5.682 5.669 1.00 0.00 H new ATOM 826 N ILE A 52 4.581 -5.615 0.659 1.00 0.00 N ATOM 827 CA ILE A 52 5.024 -5.543 -0.728 1.00 0.00 C ATOM 828 C ILE A 52 5.324 -4.094 -1.080 1.00 0.00 C ATOM 829 O ILE A 52 4.548 -3.202 -0.737 1.00 0.00 O ATOM 830 CB ILE A 52 3.974 -6.112 -1.721 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.707 -7.601 -1.461 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.424 -5.911 -3.163 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.724 -7.865 -0.341 1.00 0.00 C ATOM 0 H ILE A 52 3.613 -5.331 0.810 1.00 0.00 H new ATOM 0 HA ILE A 52 5.920 -6.157 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 52 3.046 -5.563 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.330 -8.057 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.651 -8.093 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.672 -6.318 -3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.551 -4.846 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.372 -6.425 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.590 -8.940 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.107 -7.441 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.766 -7.404 -0.582 1.00 0.00 H new ATOM 845 N CYS A 53 6.422 -3.851 -1.780 1.00 0.00 N ATOM 846 CA CYS A 53 6.851 -2.488 -2.033 1.00 0.00 C ATOM 847 C CYS A 53 6.477 -2.050 -3.437 1.00 0.00 C ATOM 848 O CYS A 53 6.651 -2.786 -4.414 1.00 0.00 O ATOM 849 CB CYS A 53 8.354 -2.346 -1.827 1.00 0.00 C ATOM 850 SG CYS A 53 8.937 -0.630 -1.951 1.00 0.00 S ATOM 0 H CYS A 53 7.024 -4.572 -2.178 1.00 0.00 H new ATOM 0 HA CYS A 53 6.337 -1.843 -1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.618 -2.742 -0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.874 -2.954 -2.567 1.00 0.00 H new ATOM 855 N ILE A 54 5.969 -0.836 -3.524 1.00 0.00 N ATOM 856 CA ILE A 54 5.399 -0.324 -4.746 1.00 0.00 C ATOM 857 C ILE A 54 5.892 1.093 -5.039 1.00 0.00 C ATOM 858 O ILE A 54 6.109 1.891 -4.128 1.00 0.00 O ATOM 859 CB ILE A 54 3.855 -0.363 -4.643 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.304 -1.620 -5.309 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.209 0.882 -5.217 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.803 -1.754 -5.181 1.00 0.00 C ATOM 0 H ILE A 54 5.942 -0.178 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 54 5.721 -0.953 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 54 3.603 -0.390 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.573 -1.611 -6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.779 -2.496 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.126 0.807 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.561 1.758 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.475 0.977 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.476 -2.668 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.530 -1.794 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.320 -0.896 -5.648 1.00 0.00 H new ATOM 874 N HIS A 55 6.091 1.381 -6.318 1.00 0.00 N ATOM 875 CA HIS A 55 6.427 2.725 -6.770 1.00 0.00 C ATOM 876 C HIS A 55 5.208 3.630 -6.590 1.00 0.00 C ATOM 877 O HIS A 55 4.108 3.220 -6.912 1.00 0.00 O ATOM 878 CB HIS A 55 6.827 2.667 -8.252 1.00 0.00 C ATOM 879 CG HIS A 55 7.347 3.957 -8.808 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.733 4.634 -9.837 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.442 4.680 -8.484 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.427 5.718 -10.121 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.470 5.770 -9.313 1.00 0.00 N ATOM 0 H HIS A 55 6.025 0.694 -7.069 1.00 0.00 H new ATOM 0 HA HIS A 55 7.258 3.124 -6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.589 1.898 -8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.961 2.357 -8.837 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.875 4.343 -10.306 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.161 4.442 -7.714 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.184 6.441 -10.885 1.00 0.00 H new ATOM 892 N PRO A 56 5.367 4.856 -6.057 1.00 0.00 N ATOM 893 CA PRO A 56 4.240 5.788 -5.884 1.00 0.00 C ATOM 894 C PRO A 56 3.357 5.864 -7.128 1.00 0.00 C ATOM 895 O PRO A 56 2.132 5.804 -7.037 1.00 0.00 O ATOM 896 CB PRO A 56 4.933 7.121 -5.609 1.00 0.00 C ATOM 897 CG PRO A 56 6.215 6.742 -4.951 1.00 0.00 C ATOM 898 CD PRO A 56 6.632 5.428 -5.563 1.00 0.00 C ATOM 0 HA PRO A 56 3.561 5.481 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.108 7.676 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.328 7.758 -4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.976 7.505 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.085 6.645 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.349 5.572 -6.371 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.106 4.777 -4.829 1.00 0.00 H new ATOM 906 N GLN A 57 3.985 5.991 -8.286 1.00 0.00 N ATOM 907 CA GLN A 57 3.280 5.822 -9.545 1.00 0.00 C ATOM 908 C GLN A 57 3.280 4.348 -9.930 1.00 0.00 C ATOM 909 O GLN A 57 4.160 3.886 -10.662 1.00 0.00 O ATOM 910 CB GLN A 57 3.927 6.659 -10.648 1.00 0.00 C ATOM 911 CG GLN A 57 3.834 8.156 -10.413 1.00 0.00 C ATOM 912 CD GLN A 57 2.408 8.665 -10.468 1.00 0.00 C ATOM 913 OE1 GLN A 57 1.735 8.672 -9.329 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 1.920 9.054 -11.529 1.00 0.00 N flip ATOM 0 H GLN A 57 4.977 6.210 -8.380 1.00 0.00 H new ATOM 0 HA GLN A 57 2.253 6.165 -9.423 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.977 6.379 -10.736 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.452 6.419 -11.599 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.264 8.395 -9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.431 8.676 -11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.475 9.031 -12.384 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.961 9.399 -11.553 1.00 0.00 H new ATOM 923 N ASN A 58 2.339 3.600 -9.368 1.00 0.00 N ATOM 924 CA ASN A 58 2.213 2.172 -9.658 1.00 0.00 C ATOM 925 C ASN A 58 0.763 1.823 -9.964 1.00 0.00 C ATOM 926 O ASN A 58 -0.144 2.236 -9.238 1.00 0.00 O ATOM 927 CB ASN A 58 2.704 1.346 -8.469 1.00 0.00 C ATOM 928 CG ASN A 58 3.002 -0.097 -8.815 1.00 0.00 C ATOM 929 OD1 ASN A 58 4.095 -0.414 -9.268 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.059 -0.986 -8.552 1.00 0.00 N ATOM 0 H ASN A 58 1.649 3.957 -8.707 1.00 0.00 H new ATOM 0 HA ASN A 58 2.826 1.940 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.605 1.807 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.950 1.374 -7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.229 -1.977 -8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.162 -0.681 -8.175 1.00 0.00 H new ATOM 937 N PRO A 59 0.532 1.053 -11.040 1.00 0.00 N ATOM 938 CA PRO A 59 -0.815 0.657 -11.473 1.00 0.00 C ATOM 939 C PRO A 59 -1.616 -0.040 -10.374 1.00 0.00 C ATOM 940 O PRO A 59 -2.845 0.018 -10.362 1.00 0.00 O ATOM 941 CB PRO A 59 -0.551 -0.312 -12.630 1.00 0.00 C ATOM 942 CG PRO A 59 0.797 0.061 -13.140 1.00 0.00 C ATOM 943 CD PRO A 59 1.574 0.522 -11.940 1.00 0.00 C ATOM 0 HA PRO A 59 -1.414 1.525 -11.747 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.573 -1.348 -12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.309 -0.215 -13.408 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.283 -0.789 -13.618 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.728 0.851 -13.888 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.124 -0.298 -11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.305 1.287 -12.204 1.00 0.00 H new ATOM 951 N SER A 60 -0.928 -0.707 -9.454 1.00 0.00 N ATOM 952 CA SER A 60 -1.613 -1.395 -8.370 1.00 0.00 C ATOM 953 C SER A 60 -2.067 -0.411 -7.292 1.00 0.00 C ATOM 954 O SER A 60 -3.119 -0.596 -6.699 1.00 0.00 O ATOM 955 CB SER A 60 -0.726 -2.467 -7.715 1.00 0.00 C ATOM 956 OG SER A 60 -1.526 -3.417 -7.034 1.00 0.00 O ATOM 0 H SER A 60 0.089 -0.785 -9.437 1.00 0.00 H new ATOM 0 HA SER A 60 -2.481 -1.880 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.125 -2.966 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.032 -1.998 -7.017 1.00 0.00 H new ATOM 0 HG SER A 60 -1.529 -3.215 -6.075 1.00 0.00 H new ATOM 962 N LEU A 61 -1.289 0.646 -7.065 1.00 0.00 N ATOM 963 CA LEU A 61 -1.489 1.503 -5.894 1.00 0.00 C ATOM 964 C LEU A 61 -2.677 2.445 -6.092 1.00 0.00 C ATOM 965 O LEU A 61 -3.540 2.550 -5.223 1.00 0.00 O ATOM 966 CB LEU A 61 -0.209 2.303 -5.603 1.00 0.00 C ATOM 967 CG LEU A 61 0.076 2.616 -4.121 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.011 3.483 -3.515 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.226 1.334 -3.314 1.00 0.00 C ATOM 0 H LEU A 61 -0.519 0.930 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.711 0.865 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.640 1.750 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.263 3.245 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 61 1.014 3.169 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.776 3.683 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.071 4.425 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.968 2.965 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.427 1.582 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.694 0.754 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.053 0.747 -3.713 1.00 0.00 H new ATOM 981 N SER A 62 -2.725 3.119 -7.235 1.00 0.00 N ATOM 982 CA SER A 62 -3.808 4.057 -7.518 1.00 0.00 C ATOM 983 C SER A 62 -5.155 3.327 -7.490 1.00 0.00 C ATOM 984 O SER A 62 -6.101 3.744 -6.802 1.00 0.00 O ATOM 985 CB SER A 62 -3.581 4.710 -8.884 1.00 0.00 C ATOM 986 OG SER A 62 -4.390 5.861 -9.055 1.00 0.00 O ATOM 0 H SER A 62 -2.031 3.035 -7.978 1.00 0.00 H new ATOM 0 HA SER A 62 -3.820 4.834 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.531 4.985 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.801 3.990 -9.673 1.00 0.00 H new ATOM 0 HG SER A 62 -3.853 6.584 -9.442 1.00 0.00 H new ATOM 992 N GLN A 63 -5.228 2.211 -8.212 1.00 0.00 N ATOM 993 CA GLN A 63 -6.419 1.377 -8.194 1.00 0.00 C ATOM 994 C GLN A 63 -6.681 0.858 -6.792 1.00 0.00 C ATOM 995 O GLN A 63 -7.830 0.653 -6.404 1.00 0.00 O ATOM 996 CB GLN A 63 -6.283 0.186 -9.138 1.00 0.00 C ATOM 997 CG GLN A 63 -6.169 0.550 -10.605 1.00 0.00 C ATOM 998 CD GLN A 63 -6.205 -0.685 -11.480 1.00 0.00 C ATOM 999 OE1 GLN A 63 -7.268 -1.103 -11.943 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -5.050 -1.294 -11.684 1.00 0.00 N ATOM 0 H GLN A 63 -4.479 1.868 -8.813 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.251 1.998 -8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.403 -0.389 -8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.147 -0.466 -9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.985 1.218 -10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.240 1.093 -10.776 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.194 -0.912 -11.281 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.014 -2.146 -12.244 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.614 0.646 -6.027 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.754 0.113 -4.687 1.00 0.00 C ATOM 1011 C TRP A 64 -6.472 1.104 -3.792 1.00 0.00 C ATOM 1012 O TRP A 64 -7.269 0.703 -2.960 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.403 -0.296 -4.078 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.529 -0.914 -2.715 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.736 -0.684 -1.626 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.526 -1.851 -2.288 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.184 -1.415 -0.553 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.280 -2.136 -0.935 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.607 -2.475 -2.917 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.075 -3.009 -0.206 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.388 -3.338 -2.194 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.125 -3.598 -0.854 1.00 0.00 C ATOM 0 H TRP A 64 -4.654 0.835 -6.314 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.356 -0.793 -4.761 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -3.910 -1.003 -4.746 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.761 0.582 -4.013 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.882 -0.024 -1.611 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.766 -1.419 0.378 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.823 -2.280 -3.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.872 -3.215 0.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.224 -3.825 -2.674 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.764 -4.280 -0.313 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.218 2.391 -3.982 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.935 3.412 -3.227 1.00 0.00 C ATOM 1035 C PHE A 65 -8.437 3.298 -3.459 1.00 0.00 C ATOM 1036 O PHE A 65 -9.232 3.437 -2.530 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.440 4.808 -3.592 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.471 5.363 -2.592 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.144 4.970 -2.592 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -5.895 6.274 -1.640 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.257 5.478 -1.662 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -5.014 6.784 -0.708 1.00 0.00 C ATOM 1043 CZ PHE A 65 -3.694 6.385 -0.719 1.00 0.00 C ATOM 0 H PHE A 65 -5.530 2.751 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.738 3.249 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.964 4.775 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.294 5.481 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.798 4.258 -3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.928 6.590 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.223 5.165 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.358 7.495 0.029 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.003 6.782 0.010 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.827 3.014 -4.692 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.243 2.825 -5.004 1.00 0.00 C ATOM 1055 C GLU A 66 -10.744 1.463 -4.508 1.00 0.00 C ATOM 1056 O GLU A 66 -11.859 1.340 -3.990 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.474 2.963 -6.507 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.220 4.367 -7.027 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.189 5.384 -6.456 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -12.303 5.519 -7.009 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -10.848 6.056 -5.461 1.00 0.00 O ATOM 0 H GLU A 66 -8.196 2.910 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.810 3.598 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.823 2.265 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.500 2.678 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.201 4.663 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.297 4.367 -8.114 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.911 0.442 -4.651 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.278 -0.903 -4.225 1.00 0.00 C ATOM 1070 C HIS A 67 -10.383 -0.992 -2.705 1.00 0.00 C ATOM 1071 O HIS A 67 -11.304 -1.608 -2.186 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.285 -1.944 -4.750 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.477 -2.307 -6.194 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.379 -3.600 -6.670 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -9.748 -1.535 -7.275 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.579 -3.603 -7.973 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -9.805 -2.366 -8.362 1.00 0.00 N ATOM 0 H HIS A 67 -8.979 0.518 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.258 -1.121 -4.650 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.272 -1.564 -4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.370 -2.847 -4.146 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.183 -4.424 -6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.892 -0.465 -7.278 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.561 -4.473 -8.613 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.451 -0.367 -1.993 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.474 -0.374 -0.531 1.00 0.00 C ATOM 1088 C GLN A 68 -10.653 0.442 -0.021 1.00 0.00 C ATOM 1089 O GLN A 68 -11.151 0.214 1.079 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.161 0.171 0.045 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.922 1.647 -0.246 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.527 2.109 0.130 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.565 1.209 0.071 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -6.315 3.270 0.465 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.672 0.150 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.586 -1.406 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.159 0.019 1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.331 -0.408 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.086 1.833 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.655 2.242 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.084 3.939 0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.370 3.566 0.709 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.100 1.385 -0.843 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.285 2.177 -0.545 1.00 0.00 C ATOM 1105 C GLU A 69 -13.490 1.254 -0.382 1.00 0.00 C ATOM 1106 O GLU A 69 -14.396 1.516 0.413 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.536 3.172 -1.682 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.723 4.095 -1.462 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.470 5.117 -0.380 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -12.405 5.761 -0.410 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.342 5.304 0.490 1.00 0.00 O ATOM 0 H GLU A 69 -10.653 1.620 -1.729 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.131 2.728 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.641 3.779 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.691 2.616 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.957 4.609 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.597 3.500 -1.198 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.479 0.159 -1.134 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.584 -0.788 -1.117 1.00 0.00 C ATOM 1120 C ARG A 70 -14.163 -2.140 -0.524 1.00 0.00 C ATOM 1121 O ARG A 70 -14.828 -3.154 -0.743 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.128 -0.962 -2.539 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.089 -1.444 -3.537 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.593 -1.350 -4.966 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.720 0.037 -5.416 1.00 0.00 N ATOM 1126 CZ ARG A 70 -14.969 0.386 -6.677 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -15.173 -0.543 -7.601 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -15.029 1.668 -7.008 1.00 0.00 N ATOM 0 H ARG A 70 -12.716 -0.093 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.370 -0.390 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.955 -1.672 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.534 -0.010 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.181 -0.850 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.822 -2.477 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.910 -1.884 -5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.561 -1.845 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.612 0.779 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.140 -1.530 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.363 -0.270 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.885 2.385 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.220 1.937 -7.973 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.064 -2.150 0.234 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.582 -3.370 0.894 1.00 0.00 C ATOM 1144 C LYS A 71 -12.039 -3.045 2.285 1.00 0.00 C ATOM 1145 O LYS A 71 -12.206 -1.923 2.752 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.496 -4.053 0.059 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.972 -4.523 -1.302 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.809 -4.971 -2.162 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.159 -4.904 -3.635 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.065 -6.005 -4.053 1.00 0.00 N ATOM 0 H LYS A 71 -12.489 -1.326 0.407 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.425 -4.054 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.666 -3.360 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.109 -4.908 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.676 -5.346 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.508 -3.716 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.942 -4.341 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.530 -5.991 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.633 -3.946 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.244 -4.946 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.591 -5.718 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.504 -6.855 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.735 -6.214 -3.285 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.364 -4.034 2.909 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.879 -3.971 4.310 1.00 0.00 C ATOM 1166 C LEU A 72 -11.511 -2.867 5.165 1.00 0.00 C ATOM 1167 O LEU A 72 -10.813 -1.967 5.643 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.339 -3.914 4.447 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.509 -3.272 3.327 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.552 -4.123 2.080 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.949 -1.847 3.032 1.00 0.00 C ATOM 0 H LEU A 72 -11.135 -4.915 2.448 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.221 -4.926 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.112 -3.381 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.983 -4.936 4.574 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.478 -3.219 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.958 -3.652 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.146 -5.110 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.584 -4.222 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.333 -1.434 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.994 -1.846 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.836 -1.238 3.929 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.834 -2.933 5.329 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.569 -2.080 6.274 1.00 0.00 C ATOM 1185 C HIS A 73 -13.616 -0.607 5.832 1.00 0.00 C ATOM 1186 O HIS A 73 -14.400 0.177 6.368 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.940 -2.197 7.668 1.00 0.00 C ATOM 1188 CG HIS A 73 -13.865 -1.862 8.798 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -13.423 -1.638 10.081 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -15.212 -1.752 8.841 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -14.458 -1.405 10.867 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -15.558 -1.468 10.139 1.00 0.00 N ATOM 0 H HIS A 73 -13.429 -3.579 4.811 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.600 -2.433 6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.575 -3.215 7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.073 -1.538 7.718 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.890 -1.866 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.413 -1.198 11.926 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.508 -1.329 10.484 1.00 0.00 H new ATOM 1201 N GLY A 74 -12.791 -0.241 4.858 1.00 0.00 N ATOM 1202 CA GLY A 74 -12.732 1.136 4.399 1.00 0.00 C ATOM 1203 C GLY A 74 -12.111 2.060 5.429 1.00 0.00 C ATOM 1204 O GLY A 74 -12.492 3.224 5.542 1.00 0.00 O ATOM 0 H GLY A 74 -12.157 -0.878 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.155 1.184 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.739 1.482 4.164 1.00 0.00 H new ATOM 1208 N THR A 75 -11.151 1.543 6.181 1.00 0.00 N ATOM 1209 CA THR A 75 -10.520 2.311 7.239 1.00 0.00 C ATOM 1210 C THR A 75 -9.082 2.671 6.886 1.00 0.00 C ATOM 1211 O THR A 75 -8.255 1.792 6.635 1.00 0.00 O ATOM 1212 CB THR A 75 -10.547 1.543 8.571 1.00 0.00 C ATOM 1213 OG1 THR A 75 -10.232 0.159 8.354 1.00 0.00 O ATOM 1214 CG2 THR A 75 -11.910 1.657 9.237 1.00 0.00 C ATOM 0 H THR A 75 -10.793 0.594 6.077 1.00 0.00 H new ATOM 0 HA THR A 75 -11.092 3.233 7.349 1.00 0.00 H new ATOM 0 HB THR A 75 -9.799 1.985 9.229 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.484 0.089 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.903 1.105 10.177 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.132 2.706 9.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.673 1.242 8.578 1.00 0.00 H new ATOM 1222 N LEU A 76 -8.788 3.963 6.877 1.00 0.00 N ATOM 1223 CA LEU A 76 -7.477 4.453 6.535 1.00 0.00 C ATOM 1224 C LEU A 76 -7.120 5.611 7.443 1.00 0.00 C ATOM 1225 O LEU A 76 -8.003 6.250 8.019 1.00 0.00 O ATOM 1226 CB LEU A 76 -7.445 4.923 5.081 1.00 0.00 C ATOM 1227 CG LEU A 76 -7.703 3.843 4.039 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -8.040 4.476 2.699 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -6.488 2.937 3.914 1.00 0.00 C ATOM 0 H LEU A 76 -9.459 4.696 7.108 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.756 3.645 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.188 5.710 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.471 5.370 4.883 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.553 3.240 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.222 3.693 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.933 5.092 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.207 5.097 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.683 2.168 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.624 3.527 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.286 2.465 4.875 1.00 0.00 H new ATOM 1241 N PRO A 77 -5.826 5.844 7.623 1.00 0.00 N ATOM 1242 CA PRO A 77 -5.301 7.037 8.292 1.00 0.00 C ATOM 1243 C PRO A 77 -5.956 8.335 7.816 1.00 0.00 C ATOM 1244 O PRO A 77 -6.257 8.489 6.630 1.00 0.00 O ATOM 1245 CB PRO A 77 -3.866 7.024 7.847 1.00 0.00 C ATOM 1246 CG PRO A 77 -3.517 5.589 7.752 1.00 0.00 C ATOM 1247 CD PRO A 77 -4.746 4.934 7.198 1.00 0.00 C ATOM 0 HA PRO A 77 -5.472 7.011 9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.744 7.526 6.887 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.225 7.541 8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.657 5.433 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.256 5.180 8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.700 4.841 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.883 3.930 7.598 1.00 0.00 H new ATOM 1255 N LYS A 78 -6.161 9.271 8.730 1.00 0.00 N ATOM 1256 CA LYS A 78 -6.699 10.570 8.367 1.00 0.00 C ATOM 1257 C LYS A 78 -5.587 11.483 7.868 1.00 0.00 C ATOM 1258 O LYS A 78 -4.947 12.188 8.649 1.00 0.00 O ATOM 1259 CB LYS A 78 -7.423 11.215 9.548 1.00 0.00 C ATOM 1260 CG LYS A 78 -8.619 10.417 10.037 1.00 0.00 C ATOM 1261 CD LYS A 78 -9.445 11.215 11.026 1.00 0.00 C ATOM 1262 CE LYS A 78 -10.645 10.429 11.526 1.00 0.00 C ATOM 1263 NZ LYS A 78 -10.244 9.279 12.378 1.00 0.00 N ATOM 0 H LYS A 78 -5.964 9.155 9.724 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.422 10.423 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.719 11.340 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.756 12.212 9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.240 10.131 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.277 9.495 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.821 11.502 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.786 12.137 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.300 11.090 12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.220 10.066 10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.093 8.832 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.726 8.585 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.632 9.615 13.149 1.00 0.00 H new ATOM 1277 N LEU A 79 -5.341 11.444 6.565 1.00 0.00 N ATOM 1278 CA LEU A 79 -4.285 12.244 5.960 1.00 0.00 C ATOM 1279 C LEU A 79 -4.696 12.767 4.590 1.00 0.00 C ATOM 1280 O LEU A 79 -3.849 12.994 3.725 1.00 0.00 O ATOM 1281 CB LEU A 79 -2.990 11.429 5.869 1.00 0.00 C ATOM 1282 CG LEU A 79 -3.135 9.983 5.378 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -3.339 9.918 3.871 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -1.919 9.178 5.789 1.00 0.00 C ATOM 0 H LEU A 79 -5.860 10.865 5.905 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.109 13.110 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.303 11.950 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.526 11.411 6.855 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.023 9.554 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.437 8.877 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.244 10.464 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.482 10.366 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.027 8.152 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.025 9.620 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.830 9.183 6.875 1.00 0.00 H new ATOM 1296 N ASN A 80 -6.004 12.968 4.427 1.00 0.00 N ATOM 1297 CA ASN A 80 -6.605 13.464 3.182 1.00 0.00 C ATOM 1298 C ASN A 80 -6.105 12.654 1.997 1.00 0.00 C ATOM 1299 O ASN A 80 -5.344 13.118 1.150 1.00 0.00 O ATOM 1300 CB ASN A 80 -6.432 14.991 2.976 1.00 0.00 C ATOM 1301 CG ASN A 80 -4.998 15.502 2.983 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -4.462 15.875 4.028 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -4.375 15.541 1.817 1.00 0.00 N ATOM 0 H ASN A 80 -6.687 12.790 5.163 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.682 13.319 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.891 15.265 2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.986 15.509 3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.418 15.889 1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.852 15.223 0.973 1.00 0.00 H new ATOM 1310 N PHE A 81 -6.568 11.422 1.952 1.00 0.00 N ATOM 1311 CA PHE A 81 -6.068 10.446 1.008 1.00 0.00 C ATOM 1312 C PHE A 81 -6.788 10.537 -0.334 1.00 0.00 C ATOM 1313 O PHE A 81 -6.661 9.652 -1.182 1.00 0.00 O ATOM 1314 CB PHE A 81 -6.179 9.042 1.610 1.00 0.00 C ATOM 1315 CG PHE A 81 -7.463 8.772 2.342 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -8.651 8.582 1.656 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -7.473 8.696 3.724 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -9.826 8.321 2.335 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -8.644 8.440 4.410 1.00 0.00 C ATOM 1320 CZ PHE A 81 -9.823 8.251 3.714 1.00 0.00 C ATOM 0 H PHE A 81 -7.301 11.070 2.568 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.018 10.661 0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.072 8.309 0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.346 8.889 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.659 8.638 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.554 8.839 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.745 8.172 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.638 8.388 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.740 8.049 4.248 1.00 0.00 H new ATOM 1330 N GLY A 82 -7.522 11.622 -0.534 1.00 0.00 N ATOM 1331 CA GLY A 82 -8.156 11.866 -1.812 1.00 0.00 C ATOM 1332 C GLY A 82 -7.173 12.421 -2.823 1.00 0.00 C ATOM 1333 O GLY A 82 -7.499 12.577 -3.999 1.00 0.00 O ATOM 0 H GLY A 82 -7.690 12.341 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.583 10.937 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.981 12.567 -1.682 1.00 0.00 H new ATOM 1337 N MET A 83 -5.960 12.699 -2.356 1.00 0.00 N ATOM 1338 CA MET A 83 -4.901 13.260 -3.196 1.00 0.00 C ATOM 1339 C MET A 83 -4.317 12.221 -4.153 1.00 0.00 C ATOM 1340 O MET A 83 -3.521 12.549 -5.029 1.00 0.00 O ATOM 1341 CB MET A 83 -3.781 13.830 -2.314 1.00 0.00 C ATOM 1342 CG MET A 83 -3.128 12.791 -1.414 1.00 0.00 C ATOM 1343 SD MET A 83 -1.785 13.458 -0.409 1.00 0.00 S ATOM 1344 CE MET A 83 -1.188 11.962 0.374 1.00 0.00 C ATOM 0 H MET A 83 -5.681 12.543 -1.387 1.00 0.00 H new ATOM 0 HA MET A 83 -5.346 14.054 -3.796 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.019 14.277 -2.952 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.188 14.630 -1.696 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.885 12.362 -0.757 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.743 11.978 -2.030 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.353 12.204 1.031 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.991 11.512 0.958 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.856 11.259 -0.390 1.00 0.00 H new ATOM 1354 N LEU A 84 -4.713 10.969 -3.982 1.00 0.00 N ATOM 1355 CA LEU A 84 -4.166 9.881 -4.785 1.00 0.00 C ATOM 1356 C LEU A 84 -5.266 9.122 -5.510 1.00 0.00 C ATOM 1357 O LEU A 84 -5.089 7.968 -5.895 1.00 0.00 O ATOM 1358 CB LEU A 84 -3.374 8.930 -3.894 1.00 0.00 C ATOM 1359 CG LEU A 84 -2.044 9.480 -3.389 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -1.539 8.654 -2.225 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -1.015 9.504 -4.509 1.00 0.00 C ATOM 0 H LEU A 84 -5.410 10.679 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.504 10.312 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.990 8.663 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.183 8.011 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.203 10.502 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.589 9.059 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.267 8.685 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.397 7.622 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.073 9.899 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.860 8.492 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.374 10.138 -5.320 1.00 0.00 H new ATOM 1373 N ARG A 85 -6.392 9.779 -5.730 1.00 0.00 N ATOM 1374 CA ARG A 85 -7.521 9.137 -6.383 1.00 0.00 C ATOM 1375 C ARG A 85 -7.400 9.241 -7.894 1.00 0.00 C ATOM 1376 O ARG A 85 -8.092 10.036 -8.530 1.00 0.00 O ATOM 1377 CB ARG A 85 -8.838 9.742 -5.909 1.00 0.00 C ATOM 1378 CG ARG A 85 -9.068 9.567 -4.422 1.00 0.00 C ATOM 1379 CD ARG A 85 -8.951 8.108 -4.009 1.00 0.00 C ATOM 1380 NE ARG A 85 -9.149 7.931 -2.577 1.00 0.00 N ATOM 1381 CZ ARG A 85 -9.871 6.949 -2.046 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -10.462 6.053 -2.824 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -10.009 6.865 -0.733 1.00 0.00 N ATOM 0 H ARG A 85 -6.549 10.752 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.512 8.082 -6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.851 10.805 -6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.661 9.281 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.343 10.163 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.057 9.943 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.687 7.517 -4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.968 7.729 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.708 8.599 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.364 6.114 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.014 5.302 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.562 7.554 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.563 6.112 -0.326 1.00 0.00 H new ATOM 1397 N LYS A 86 -6.485 8.450 -8.447 1.00 0.00 N ATOM 1398 CA LYS A 86 -6.217 8.429 -9.882 1.00 0.00 C ATOM 1399 C LYS A 86 -5.567 9.744 -10.322 1.00 0.00 C ATOM 1400 O LYS A 86 -5.548 10.092 -11.504 1.00 0.00 O ATOM 1401 CB LYS A 86 -7.500 8.132 -10.672 1.00 0.00 C ATOM 1402 CG LYS A 86 -7.260 7.780 -12.135 1.00 0.00 C ATOM 1403 CD LYS A 86 -8.508 7.199 -12.783 1.00 0.00 C ATOM 1404 CE LYS A 86 -8.864 5.841 -12.194 1.00 0.00 C ATOM 1405 NZ LYS A 86 -10.117 5.291 -12.777 1.00 0.00 N ATOM 0 H LYS A 86 -5.906 7.803 -7.911 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.513 7.625 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.027 7.307 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.155 9.002 -10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.949 8.672 -12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.443 7.062 -12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.343 7.886 -12.646 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.349 7.100 -13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.045 5.143 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.977 5.933 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.322 4.366 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.904 5.943 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.002 5.178 -13.804 1.00 0.00 H new ATOM 1419 N MET A 87 -5.025 10.476 -9.350 1.00 0.00 N ATOM 1420 CA MET A 87 -4.170 11.624 -9.648 1.00 0.00 C ATOM 1421 C MET A 87 -2.820 11.132 -10.153 1.00 0.00 C ATOM 1422 O MET A 87 -1.986 11.908 -10.622 1.00 0.00 O ATOM 1423 CB MET A 87 -3.967 12.517 -8.417 1.00 0.00 C ATOM 1424 CG MET A 87 -5.170 13.373 -8.048 1.00 0.00 C ATOM 1425 SD MET A 87 -6.498 12.423 -7.291 1.00 0.00 S ATOM 1426 CE MET A 87 -7.730 13.696 -7.030 1.00 0.00 C ATOM 0 H MET A 87 -5.161 10.296 -8.355 1.00 0.00 H new ATOM 0 HA MET A 87 -4.663 12.222 -10.414 1.00 0.00 H new ATOM 0 HB2 MET A 87 -3.712 11.886 -7.565 1.00 0.00 H new ATOM 0 HB3 MET A 87 -3.114 13.171 -8.596 1.00 0.00 H new ATOM 0 HG2 MET A 87 -4.854 14.158 -7.361 1.00 0.00 H new ATOM 0 HG3 MET A 87 -5.547 13.866 -8.944 1.00 0.00 H new ATOM 0 HE1 MET A 87 -8.614 13.258 -6.566 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.323 14.468 -6.377 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.005 14.138 -7.988 1.00 0.00 H new ATOM 1436 N GLY A 88 -2.617 9.830 -10.040 1.00 0.00 N ATOM 1437 CA GLY A 88 -1.426 9.195 -10.548 1.00 0.00 C ATOM 1438 C GLY A 88 -1.631 7.702 -10.656 1.00 0.00 C ATOM 1439 O GLY A 88 -0.637 6.952 -10.649 1.00 0.00 O ATOM 1440 OXT GLY A 88 -2.805 7.275 -10.709 1.00 0.00 O ATOM 0 H GLY A 88 -3.275 9.190 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.176 9.606 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.584 9.406 -9.889 1.00 0.00 H new TER 1444 GLY A 88