USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 768 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 27 GLN :FLIP amide:sc= -5.64! C(o=-10!,f=-8.9!) USER MOD Set 1.2: A 31 GLN :FLIP amide:sc= -0.627 F(o=-13,f=-8.9) USER MOD Set 1.3: A 105 MET CE :methyl -130:sc= -2.62! (180deg=-1.99) USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 166:sc= -0.585 (180deg=-1.16) USER MOD Single : A 3 THR OG1 : rot -36:sc= 0.0664 USER MOD Single : A 7 SER OG : rot 121:sc= 0.372 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.256 F(o=-2.4,f=-0.26) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.908 F(o=-3.3,f=-0.91) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 90:sc= -1.45 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0352 (180deg=-0.298) USER MOD Single : A 38 MET CE :methyl 162:sc= -2.23! (180deg=-3.58!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.552 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -10.5! C(o=-10!,f=-16!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.8!) USER MOD Single : A 54 GLN : amide:sc= -12.9! C(o=-13!,f=-15!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0769 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.847! (180deg=-1.48!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.693 K(o=-0.69,f=-2.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.133 F(o=-1.9,f=-0.13) USER MOD Single : A 72 SER OG : rot 90:sc= 1.04 USER MOD Single : A 78 THR OG1 : rot -150:sc= 0.466 USER MOD Single : A 80 SER OG : rot 134:sc= -1.99! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= -0.0305 (180deg=-0.184) USER MOD Single : A 84 SER OG : rot 139:sc= -1.11! USER MOD Single : A 86 MET CE :methyl -112:sc= -2.47! (180deg=-3.19!) USER MOD Single : A 91 ASN :FLIP amide:sc= -5.38! C(o=-8.6!,f=-5.4!) USER MOD Single : A 96 LYS NZ :NH3+ 145:sc= -0.123 (180deg=-0.57) USER MOD Single : A 103 GLN : amide:sc= -5.16! C(o=-5.2!,f=-4.8!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 6.373 -6.710 -7.949 1.00 0.00 N ATOM 34 CA THR A 3 7.309 -7.801 -8.160 1.00 0.00 C ATOM 35 C THR A 3 8.548 -7.329 -8.913 1.00 0.00 C ATOM 36 O THR A 3 9.562 -8.025 -8.942 1.00 0.00 O ATOM 37 CB THR A 3 6.655 -8.961 -8.931 1.00 0.00 C ATOM 38 OG1 THR A 3 6.175 -8.499 -10.199 1.00 0.00 O ATOM 39 CG2 THR A 3 5.506 -9.554 -8.130 1.00 0.00 C ATOM 0 HA THR A 3 7.607 -8.157 -7.174 1.00 0.00 H new ATOM 0 HB THR A 3 7.405 -9.735 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.833 -7.585 -10.106 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.056 -10.373 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.882 -9.930 -7.178 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.756 -8.785 -7.946 1.00 0.00 H new ATOM 47 N ASP A 4 8.472 -6.142 -9.528 1.00 0.00 N ATOM 48 CA ASP A 4 9.624 -5.583 -10.235 1.00 0.00 C ATOM 49 C ASP A 4 10.855 -5.684 -9.334 1.00 0.00 C ATOM 50 O ASP A 4 11.762 -6.472 -9.599 1.00 0.00 O ATOM 51 CB ASP A 4 9.360 -4.128 -10.637 1.00 0.00 C ATOM 52 CG ASP A 4 10.313 -3.645 -11.712 1.00 0.00 C ATOM 53 OD1 ASP A 4 10.025 -3.874 -12.906 1.00 0.00 O ATOM 54 OD2 ASP A 4 11.347 -3.040 -11.361 1.00 0.00 O ATOM 0 H ASP A 4 7.635 -5.559 -9.549 1.00 0.00 H new ATOM 0 HA ASP A 4 9.799 -6.149 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.335 -4.033 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.452 -3.489 -9.759 1.00 0.00 H new ATOM 59 N ILE A 5 10.884 -4.884 -8.268 1.00 0.00 N ATOM 60 CA ILE A 5 11.978 -4.954 -7.313 1.00 0.00 C ATOM 61 C ILE A 5 11.437 -5.304 -5.927 1.00 0.00 C ATOM 62 O ILE A 5 10.981 -4.436 -5.182 1.00 0.00 O ATOM 63 CB ILE A 5 12.729 -3.620 -7.232 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.763 -2.957 -8.605 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.139 -3.836 -6.705 1.00 0.00 C ATOM 66 CD1 ILE A 5 11.662 -1.941 -8.817 1.00 0.00 C ATOM 0 H ILE A 5 10.170 -4.190 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 5 12.669 -5.726 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 5 12.205 -2.961 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.728 -2.467 -8.739 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.687 -3.727 -9.373 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.659 -2.879 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.092 -4.277 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.679 -4.507 -7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.750 -1.512 -9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.692 -2.429 -8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.749 -1.150 -8.073 1.00 0.00 H new ATOM 78 N LEU A 6 11.497 -6.586 -5.602 1.00 0.00 N ATOM 79 CA LEU A 6 11.021 -7.069 -4.308 1.00 0.00 C ATOM 80 C LEU A 6 11.347 -8.533 -4.084 1.00 0.00 C ATOM 81 O LEU A 6 11.728 -9.249 -5.010 1.00 0.00 O ATOM 82 CB LEU A 6 9.518 -6.855 -4.160 1.00 0.00 C ATOM 83 CG LEU A 6 9.097 -6.252 -2.819 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.324 -4.756 -2.815 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.648 -6.575 -2.503 1.00 0.00 C ATOM 0 H LEU A 6 11.870 -7.313 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 6 11.546 -6.485 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.175 -6.202 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.012 -7.812 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 6 9.716 -6.698 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.019 -4.344 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.381 -4.548 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.736 -4.297 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.378 -6.133 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.006 -6.168 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.519 -7.656 -2.454 1.00 0.00 H new ATOM 97 N SER A 7 11.192 -8.973 -2.839 1.00 0.00 N ATOM 98 CA SER A 7 11.418 -10.367 -2.491 1.00 0.00 C ATOM 99 C SER A 7 10.176 -11.189 -2.803 1.00 0.00 C ATOM 100 O SER A 7 9.532 -11.737 -1.910 1.00 0.00 O ATOM 101 CB SER A 7 11.766 -10.523 -1.023 1.00 0.00 C ATOM 102 OG SER A 7 12.910 -9.762 -0.677 1.00 0.00 O ATOM 0 H SER A 7 10.911 -8.383 -2.056 1.00 0.00 H new ATOM 0 HA SER A 7 12.259 -10.725 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.920 -10.208 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.946 -11.575 -0.800 1.00 0.00 H new ATOM 0 HG SER A 7 12.676 -9.121 0.027 1.00 0.00 H new ATOM 108 N ALA A 8 9.853 -11.253 -4.082 1.00 0.00 N ATOM 109 CA ALA A 8 8.678 -12.002 -4.543 1.00 0.00 C ATOM 110 C ALA A 8 8.493 -13.324 -3.803 1.00 0.00 C ATOM 111 O ALA A 8 7.373 -13.828 -3.713 1.00 0.00 O ATOM 112 CB ALA A 8 8.795 -12.265 -6.032 1.00 0.00 C ATOM 0 H ALA A 8 10.382 -10.799 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 8 7.802 -11.389 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.922 -12.821 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.852 -11.316 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.695 -12.847 -6.229 1.00 0.00 H new ATOM 118 N GLU A 9 9.567 -13.890 -3.274 1.00 0.00 N ATOM 119 CA GLU A 9 9.448 -15.118 -2.509 1.00 0.00 C ATOM 120 C GLU A 9 8.695 -14.839 -1.208 1.00 0.00 C ATOM 121 O GLU A 9 7.749 -15.543 -0.852 1.00 0.00 O ATOM 122 CB GLU A 9 10.834 -15.685 -2.213 1.00 0.00 C ATOM 123 CG GLU A 9 11.591 -16.066 -3.464 1.00 0.00 C ATOM 124 CD GLU A 9 10.945 -17.218 -4.210 1.00 0.00 C ATOM 125 OE1 GLU A 9 9.944 -16.980 -4.918 1.00 0.00 O ATOM 126 OE2 GLU A 9 11.441 -18.358 -4.087 1.00 0.00 O ATOM 0 H GLU A 9 10.516 -13.525 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 9 8.891 -15.854 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.411 -14.948 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.734 -16.562 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.654 -15.201 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.612 -16.338 -3.197 1.00 0.00 H new ATOM 133 N ASP A 10 9.137 -13.795 -0.509 1.00 0.00 N ATOM 134 CA ASP A 10 8.552 -13.357 0.749 1.00 0.00 C ATOM 135 C ASP A 10 7.274 -12.560 0.526 1.00 0.00 C ATOM 136 O ASP A 10 6.611 -12.182 1.481 1.00 0.00 O ATOM 137 CB ASP A 10 9.561 -12.496 1.514 1.00 0.00 C ATOM 138 CG ASP A 10 10.611 -13.328 2.224 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.623 -13.680 1.582 1.00 0.00 O ATOM 140 OD2 ASP A 10 10.423 -13.625 3.422 1.00 0.00 O ATOM 0 H ASP A 10 9.926 -13.222 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 10 8.301 -14.246 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.051 -11.813 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.032 -11.884 2.244 1.00 0.00 H new ATOM 145 N ILE A 11 6.932 -12.300 -0.732 1.00 0.00 N ATOM 146 CA ILE A 11 5.744 -11.516 -1.033 1.00 0.00 C ATOM 147 C ILE A 11 4.502 -12.329 -0.704 1.00 0.00 C ATOM 148 O ILE A 11 3.543 -11.808 -0.139 1.00 0.00 O ATOM 149 CB ILE A 11 5.746 -11.037 -2.513 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.400 -9.654 -2.613 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.348 -11.001 -3.136 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.420 -9.101 -4.022 1.00 0.00 C ATOM 0 H ILE A 11 7.454 -12.617 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 11 5.743 -10.619 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 11 6.323 -11.768 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.865 -8.959 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.422 -9.715 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.418 -10.659 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.914 -12.001 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.715 -10.318 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.896 -8.121 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.980 -9.776 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.399 -9.008 -4.391 1.00 0.00 H new ATOM 164 N ALA A 12 4.515 -13.604 -1.070 1.00 0.00 N ATOM 165 CA ALA A 12 3.392 -14.462 -0.766 1.00 0.00 C ATOM 166 C ALA A 12 3.187 -14.479 0.726 1.00 0.00 C ATOM 167 O ALA A 12 2.080 -14.268 1.210 1.00 0.00 O ATOM 168 CB ALA A 12 3.632 -15.869 -1.272 1.00 0.00 C ATOM 0 H ALA A 12 5.281 -14.056 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 12 2.502 -14.076 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.772 -16.494 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.773 -15.848 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.524 -16.279 -0.798 1.00 0.00 H new ATOM 174 N ALA A 13 4.263 -14.732 1.463 1.00 0.00 N ATOM 175 CA ALA A 13 4.167 -14.739 2.913 1.00 0.00 C ATOM 176 C ALA A 13 3.823 -13.345 3.404 1.00 0.00 C ATOM 177 O ALA A 13 2.863 -13.140 4.132 1.00 0.00 O ATOM 178 CB ALA A 13 5.469 -15.215 3.536 1.00 0.00 C ATOM 0 H ALA A 13 5.191 -14.930 1.089 1.00 0.00 H new ATOM 0 HA ALA A 13 3.379 -15.430 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.375 -15.212 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.688 -16.226 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.279 -14.548 3.240 1.00 0.00 H new ATOM 184 N ALA A 14 4.629 -12.390 2.973 1.00 0.00 N ATOM 185 CA ALA A 14 4.421 -10.994 3.329 1.00 0.00 C ATOM 186 C ALA A 14 2.967 -10.597 3.109 1.00 0.00 C ATOM 187 O ALA A 14 2.353 -9.943 3.952 1.00 0.00 O ATOM 188 CB ALA A 14 5.332 -10.100 2.500 1.00 0.00 C ATOM 0 H ALA A 14 5.437 -12.555 2.373 1.00 0.00 H new ATOM 0 HA ALA A 14 4.662 -10.868 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.168 -9.058 2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.372 -10.365 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.110 -10.235 1.442 1.00 0.00 H new ATOM 194 N LEU A 15 2.425 -11.000 1.969 1.00 0.00 N ATOM 195 CA LEU A 15 1.045 -10.701 1.632 1.00 0.00 C ATOM 196 C LEU A 15 0.092 -11.583 2.427 1.00 0.00 C ATOM 197 O LEU A 15 -0.712 -11.101 3.219 1.00 0.00 O ATOM 198 CB LEU A 15 0.820 -10.906 0.128 1.00 0.00 C ATOM 199 CG LEU A 15 -0.521 -10.402 -0.425 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.457 -10.274 -1.941 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.651 -11.338 -0.043 1.00 0.00 C ATOM 0 H LEU A 15 2.924 -11.537 1.260 1.00 0.00 H new ATOM 0 HA LEU A 15 0.843 -9.661 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.624 -10.406 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.904 -11.971 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.714 -9.422 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.415 -9.916 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.327 -9.567 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.236 -11.247 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.590 -10.959 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.455 -12.330 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.721 -11.399 1.043 1.00 0.00 H new ATOM 213 N GLN A 16 0.217 -12.886 2.212 1.00 0.00 N ATOM 214 CA GLN A 16 -0.626 -13.911 2.817 1.00 0.00 C ATOM 215 C GLN A 16 -0.415 -14.124 4.317 1.00 0.00 C ATOM 216 O GLN A 16 -1.128 -14.923 4.925 1.00 0.00 O ATOM 217 CB GLN A 16 -0.318 -15.220 2.086 1.00 0.00 C ATOM 218 CG GLN A 16 -0.428 -15.083 0.583 1.00 0.00 C ATOM 219 CD GLN A 16 -1.851 -15.232 0.100 1.00 0.00 C ATOM 220 OE1 GLN A 16 -2.671 -14.228 0.381 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -2.219 -16.249 -0.488 1.00 0.00 N flip ATOM 0 H GLN A 16 0.930 -13.272 1.593 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.660 -13.582 2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.688 -15.549 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.005 -15.994 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.043 -14.110 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.197 -15.837 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.552 -16.995 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.191 -16.345 -0.781 1.00 0.00 H new ATOM 230 N GLU A 17 0.538 -13.437 4.924 1.00 0.00 N ATOM 231 CA GLU A 17 0.826 -13.685 6.333 1.00 0.00 C ATOM 232 C GLU A 17 -0.331 -13.344 7.255 1.00 0.00 C ATOM 233 O GLU A 17 -1.025 -14.227 7.761 1.00 0.00 O ATOM 234 CB GLU A 17 2.042 -12.865 6.767 1.00 0.00 C ATOM 235 CG GLU A 17 2.311 -12.871 8.265 1.00 0.00 C ATOM 236 CD GLU A 17 3.568 -12.108 8.634 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.662 -12.709 8.587 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.458 -10.910 8.969 1.00 0.00 O ATOM 0 H GLU A 17 1.114 -12.721 4.481 1.00 0.00 H new ATOM 0 HA GLU A 17 1.015 -14.755 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.923 -13.247 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.904 -11.834 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.459 -12.434 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.401 -13.901 8.610 1.00 0.00 H new ATOM 245 N CYS A 18 -0.529 -12.061 7.460 1.00 0.00 N ATOM 246 CA CYS A 18 -1.547 -11.547 8.353 1.00 0.00 C ATOM 247 C CYS A 18 -2.711 -10.901 7.616 1.00 0.00 C ATOM 248 O CYS A 18 -3.612 -10.364 8.254 1.00 0.00 O ATOM 249 CB CYS A 18 -0.888 -10.538 9.283 1.00 0.00 C ATOM 250 SG CYS A 18 -0.994 -10.967 11.036 1.00 0.00 S ATOM 0 H CYS A 18 0.021 -11.333 7.004 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.970 -12.382 8.912 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.162 -10.439 9.008 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.351 -9.563 9.130 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.404 -10.050 11.744 1.00 0.00 H new ATOM 256 N GLN A 19 -2.715 -10.972 6.288 1.00 0.00 N ATOM 257 CA GLN A 19 -3.717 -10.250 5.502 1.00 0.00 C ATOM 258 C GLN A 19 -5.121 -10.364 6.085 1.00 0.00 C ATOM 259 O GLN A 19 -5.536 -11.405 6.591 1.00 0.00 O ATOM 260 CB GLN A 19 -3.734 -10.757 4.062 1.00 0.00 C ATOM 261 CG GLN A 19 -4.762 -10.051 3.188 1.00 0.00 C ATOM 262 CD GLN A 19 -4.308 -9.831 1.752 1.00 0.00 C ATOM 263 OE1 GLN A 19 -3.049 -9.439 1.563 1.00 0.00 O flip ATOM 264 NE2 GLN A 19 -5.094 -9.983 0.817 1.00 0.00 N flip ATOM 0 H GLN A 19 -2.048 -11.513 5.738 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.428 -9.199 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.744 -10.625 3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.942 -11.827 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.682 -10.636 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.002 -9.086 3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.051 -10.284 0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.788 -9.808 -0.140 1.00 0.00 H new ATOM 273 N ASP A 20 -5.830 -9.243 5.985 1.00 0.00 N ATOM 274 CA ASP A 20 -7.190 -9.109 6.487 1.00 0.00 C ATOM 275 C ASP A 20 -7.666 -7.675 6.288 1.00 0.00 C ATOM 276 O ASP A 20 -6.888 -6.809 5.886 1.00 0.00 O ATOM 277 CB ASP A 20 -7.262 -9.492 7.967 1.00 0.00 C ATOM 278 CG ASP A 20 -7.940 -10.831 8.187 1.00 0.00 C ATOM 279 OD1 ASP A 20 -9.187 -10.857 8.272 1.00 0.00 O ATOM 280 OD2 ASP A 20 -7.228 -11.852 8.273 1.00 0.00 O ATOM 0 H ASP A 20 -5.471 -8.394 5.548 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.839 -9.785 5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.254 -9.527 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.804 -8.720 8.513 1.00 0.00 H new ATOM 285 N PRO A 21 -8.946 -7.400 6.563 1.00 0.00 N ATOM 286 CA PRO A 21 -9.513 -6.069 6.410 1.00 0.00 C ATOM 287 C PRO A 21 -9.327 -5.190 7.644 1.00 0.00 C ATOM 288 O PRO A 21 -10.265 -4.521 8.074 1.00 0.00 O ATOM 289 CB PRO A 21 -10.982 -6.386 6.199 1.00 0.00 C ATOM 290 CG PRO A 21 -11.227 -7.563 7.065 1.00 0.00 C ATOM 291 CD PRO A 21 -9.962 -8.369 7.015 1.00 0.00 C ATOM 0 HA PRO A 21 -9.040 -5.502 5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.616 -5.545 6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.195 -6.609 5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.458 -7.258 8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.077 -8.144 6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.713 -8.784 7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.049 -9.208 6.325 1.00 0.00 H new ATOM 299 N ASP A 22 -8.107 -5.172 8.188 1.00 0.00 N ATOM 300 CA ASP A 22 -7.821 -4.366 9.389 1.00 0.00 C ATOM 301 C ASP A 22 -6.403 -4.542 9.960 1.00 0.00 C ATOM 302 O ASP A 22 -6.061 -3.875 10.936 1.00 0.00 O ATOM 303 CB ASP A 22 -8.806 -4.724 10.504 1.00 0.00 C ATOM 304 CG ASP A 22 -8.610 -6.138 11.016 1.00 0.00 C ATOM 305 OD1 ASP A 22 -9.117 -7.079 10.370 1.00 0.00 O ATOM 306 OD2 ASP A 22 -7.953 -6.305 12.065 1.00 0.00 O ATOM 0 H ASP A 22 -7.310 -5.696 7.827 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.918 -3.332 9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.687 -4.022 11.329 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.825 -4.612 10.134 1.00 0.00 H new ATOM 311 N THR A 23 -5.573 -5.414 9.390 1.00 0.00 N ATOM 312 CA THR A 23 -4.250 -5.643 9.959 1.00 0.00 C ATOM 313 C THR A 23 -3.093 -4.993 9.201 1.00 0.00 C ATOM 314 O THR A 23 -2.124 -4.606 9.840 1.00 0.00 O ATOM 315 CB THR A 23 -3.973 -7.145 10.065 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.762 -7.376 10.794 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.871 -7.770 8.686 1.00 0.00 C ATOM 0 H THR A 23 -5.787 -5.960 8.556 1.00 0.00 H new ATOM 0 HA THR A 23 -4.287 -5.165 10.938 1.00 0.00 H new ATOM 0 HB THR A 23 -4.804 -7.608 10.597 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.597 -8.340 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.674 -8.838 8.784 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.808 -7.622 8.149 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.058 -7.300 8.133 1.00 0.00 H new ATOM 325 N PHE A 24 -3.211 -4.869 7.867 1.00 0.00 N ATOM 326 CA PHE A 24 -2.151 -4.297 6.992 1.00 0.00 C ATOM 327 C PHE A 24 -1.950 -5.174 5.761 1.00 0.00 C ATOM 328 O PHE A 24 -0.987 -5.936 5.691 1.00 0.00 O ATOM 329 CB PHE A 24 -0.777 -4.163 7.686 1.00 0.00 C ATOM 330 CG PHE A 24 -0.588 -2.904 8.499 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.918 -1.661 7.981 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.076 -2.969 9.788 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.744 -0.513 8.732 1.00 0.00 C ATOM 334 CE2 PHE A 24 0.100 -1.824 10.540 1.00 0.00 C ATOM 335 CZ PHE A 24 -0.235 -0.595 10.012 1.00 0.00 C ATOM 0 H PHE A 24 -4.044 -5.161 7.356 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.504 -3.300 6.730 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.632 -5.024 8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.002 -4.206 6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.316 -1.589 6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.188 -3.928 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.007 0.449 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.500 -1.891 11.541 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.099 0.301 10.599 1.00 0.00 H new ATOM 345 N GLU A 25 -2.851 -5.073 4.796 1.00 0.00 N ATOM 346 CA GLU A 25 -2.735 -5.866 3.578 1.00 0.00 C ATOM 347 C GLU A 25 -1.643 -5.343 2.641 1.00 0.00 C ATOM 348 O GLU A 25 -0.888 -6.128 2.069 1.00 0.00 O ATOM 349 CB GLU A 25 -4.058 -5.879 2.825 1.00 0.00 C ATOM 350 CG GLU A 25 -5.237 -6.285 3.675 1.00 0.00 C ATOM 351 CD GLU A 25 -6.504 -6.455 2.862 1.00 0.00 C ATOM 352 OE1 GLU A 25 -7.141 -5.433 2.535 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.859 -7.611 2.551 1.00 0.00 O ATOM 0 H GLU A 25 -3.663 -4.457 4.829 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.464 -6.875 3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.242 -4.886 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.978 -6.563 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.008 -7.220 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.402 -5.533 4.446 1.00 0.00 H new ATOM 360 N PRO A 26 -1.542 -4.014 2.469 1.00 0.00 N ATOM 361 CA PRO A 26 -0.559 -3.420 1.573 1.00 0.00 C ATOM 362 C PRO A 26 0.848 -3.318 2.166 1.00 0.00 C ATOM 363 O PRO A 26 1.794 -3.906 1.643 1.00 0.00 O ATOM 364 CB PRO A 26 -1.120 -2.030 1.290 1.00 0.00 C ATOM 365 CG PRO A 26 -2.050 -1.719 2.407 1.00 0.00 C ATOM 366 CD PRO A 26 -2.370 -3.000 3.129 1.00 0.00 C ATOM 0 HA PRO A 26 -0.425 -4.039 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.320 -1.292 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.641 -2.009 0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.595 -1.002 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.962 -1.261 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.135 -2.926 4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.430 -3.243 3.054 1.00 0.00 H new ATOM 374 N GLN A 27 0.982 -2.571 3.256 1.00 0.00 N ATOM 375 CA GLN A 27 2.281 -2.370 3.896 1.00 0.00 C ATOM 376 C GLN A 27 2.949 -3.675 4.303 1.00 0.00 C ATOM 377 O GLN A 27 4.164 -3.822 4.176 1.00 0.00 O ATOM 378 CB GLN A 27 2.134 -1.491 5.129 1.00 0.00 C ATOM 379 CG GLN A 27 1.700 -0.075 4.822 1.00 0.00 C ATOM 380 CD GLN A 27 1.682 0.795 6.060 1.00 0.00 C ATOM 381 OE1 GLN A 27 0.525 0.887 6.698 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 2.697 1.380 6.437 1.00 0.00 N flip ATOM 0 H GLN A 27 0.208 -2.093 3.717 1.00 0.00 H new ATOM 0 HA GLN A 27 2.915 -1.886 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.408 -1.945 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.086 -1.462 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.375 0.359 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.706 -0.090 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.567 1.280 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.668 1.965 7.272 1.00 0.00 H new ATOM 391 N LYS A 28 2.163 -4.619 4.797 1.00 0.00 N ATOM 392 CA LYS A 28 2.717 -5.893 5.233 1.00 0.00 C ATOM 393 C LYS A 28 3.371 -6.588 4.056 1.00 0.00 C ATOM 394 O LYS A 28 4.475 -7.123 4.160 1.00 0.00 O ATOM 395 CB LYS A 28 1.624 -6.772 5.835 1.00 0.00 C ATOM 396 CG LYS A 28 2.164 -7.975 6.588 1.00 0.00 C ATOM 397 CD LYS A 28 1.242 -8.393 7.720 1.00 0.00 C ATOM 398 CE LYS A 28 1.176 -7.332 8.807 1.00 0.00 C ATOM 399 NZ LYS A 28 0.382 -7.786 9.981 1.00 0.00 N ATOM 0 H LYS A 28 1.153 -4.531 4.906 1.00 0.00 H new ATOM 0 HA LYS A 28 3.468 -5.713 6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.017 -6.171 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.966 -7.117 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.292 -8.808 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.149 -7.740 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.242 -8.575 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.593 -9.332 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.186 -7.079 9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.734 -6.423 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.554 -7.148 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.630 -7.776 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.667 -8.752 10.240 1.00 0.00 H new ATOM 413 N PHE A 29 2.673 -6.572 2.933 1.00 0.00 N ATOM 414 CA PHE A 29 3.175 -7.154 1.700 1.00 0.00 C ATOM 415 C PHE A 29 4.561 -6.604 1.398 1.00 0.00 C ATOM 416 O PHE A 29 5.519 -7.346 1.184 1.00 0.00 O ATOM 417 CB PHE A 29 2.218 -6.788 0.559 1.00 0.00 C ATOM 418 CG PHE A 29 2.601 -7.318 -0.796 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.783 -6.940 -1.418 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.759 -8.192 -1.452 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.109 -7.430 -2.667 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.079 -8.685 -2.703 1.00 0.00 C ATOM 423 CZ PHE A 29 3.256 -8.302 -3.310 1.00 0.00 C ATOM 0 H PHE A 29 1.745 -6.157 2.850 1.00 0.00 H new ATOM 0 HA PHE A 29 3.238 -8.237 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.224 -7.158 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.148 -5.702 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.454 -6.256 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.836 -8.496 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.032 -7.130 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.409 -9.368 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.510 -8.684 -4.288 1.00 0.00 H new ATOM 433 N PHE A 30 4.631 -5.283 1.389 1.00 0.00 N ATOM 434 CA PHE A 30 5.858 -4.569 1.088 1.00 0.00 C ATOM 435 C PHE A 30 6.915 -4.767 2.167 1.00 0.00 C ATOM 436 O PHE A 30 8.012 -5.244 1.900 1.00 0.00 O ATOM 437 CB PHE A 30 5.570 -3.077 0.961 1.00 0.00 C ATOM 438 CG PHE A 30 4.260 -2.745 0.310 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.768 -3.494 -0.750 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.521 -1.661 0.762 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.558 -3.159 -1.341 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.317 -1.330 0.176 1.00 0.00 C ATOM 443 CZ PHE A 30 1.836 -2.079 -0.876 1.00 0.00 C ATOM 0 H PHE A 30 3.837 -4.676 1.591 1.00 0.00 H new ATOM 0 HA PHE A 30 6.242 -4.971 0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.589 -2.631 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.373 -2.613 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.329 -4.341 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.894 -1.068 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.181 -3.745 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.752 -0.485 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.894 -1.821 -1.337 1.00 0.00 H new ATOM 453 N GLN A 31 6.551 -4.422 3.392 1.00 0.00 N ATOM 454 CA GLN A 31 7.469 -4.474 4.529 1.00 0.00 C ATOM 455 C GLN A 31 8.120 -5.826 4.721 1.00 0.00 C ATOM 456 O GLN A 31 9.333 -5.970 4.567 1.00 0.00 O ATOM 457 CB GLN A 31 6.715 -4.103 5.805 1.00 0.00 C ATOM 458 CG GLN A 31 7.621 -3.774 6.977 1.00 0.00 C ATOM 459 CD GLN A 31 7.946 -2.293 7.076 1.00 0.00 C ATOM 460 OE1 GLN A 31 7.975 -1.605 5.936 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.166 -1.770 8.169 1.00 0.00 N flip ATOM 0 H GLN A 31 5.614 -4.098 3.630 1.00 0.00 H new ATOM 0 HA GLN A 31 8.267 -3.763 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.074 -3.245 5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.062 -4.930 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.143 -4.098 7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.548 -4.339 6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.134 -2.333 9.019 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.380 -0.774 8.224 1.00 0.00 H new ATOM 470 N THR A 32 7.321 -6.812 5.055 1.00 0.00 N ATOM 471 CA THR A 32 7.838 -8.147 5.306 1.00 0.00 C ATOM 472 C THR A 32 8.809 -8.603 4.214 1.00 0.00 C ATOM 473 O THR A 32 9.960 -8.932 4.499 1.00 0.00 O ATOM 474 CB THR A 32 6.693 -9.167 5.449 1.00 0.00 C ATOM 475 OG1 THR A 32 5.863 -8.816 6.561 1.00 0.00 O ATOM 476 CG2 THR A 32 7.233 -10.578 5.644 1.00 0.00 C ATOM 0 H THR A 32 6.311 -6.720 5.160 1.00 0.00 H new ATOM 0 HA THR A 32 8.389 -8.098 6.245 1.00 0.00 H new ATOM 0 HB THR A 32 6.107 -9.146 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.136 -9.468 6.645 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.401 -11.276 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.841 -10.857 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.844 -10.612 6.546 1.00 0.00 H new ATOM 484 N SER A 33 8.345 -8.620 2.968 1.00 0.00 N ATOM 485 CA SER A 33 9.170 -9.070 1.856 1.00 0.00 C ATOM 486 C SER A 33 10.155 -8.016 1.341 1.00 0.00 C ATOM 487 O SER A 33 11.366 -8.232 1.350 1.00 0.00 O ATOM 488 CB SER A 33 8.274 -9.571 0.715 1.00 0.00 C ATOM 489 OG SER A 33 8.312 -8.703 -0.408 1.00 0.00 O ATOM 0 H SER A 33 7.404 -8.328 2.705 1.00 0.00 H new ATOM 0 HA SER A 33 9.786 -9.884 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.594 -10.569 0.414 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.248 -9.659 1.071 1.00 0.00 H new ATOM 0 HG SER A 33 9.031 -8.981 -1.012 1.00 0.00 H new ATOM 495 N GLY A 34 9.627 -6.880 0.896 1.00 0.00 N ATOM 496 CA GLY A 34 10.483 -5.880 0.275 1.00 0.00 C ATOM 497 C GLY A 34 10.950 -4.684 1.105 1.00 0.00 C ATOM 498 O GLY A 34 12.131 -4.578 1.432 1.00 0.00 O ATOM 0 H GLY A 34 8.639 -6.634 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.372 -6.392 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.955 -5.490 -0.595 1.00 0.00 H new ATOM 502 N LEU A 35 10.016 -3.820 1.495 1.00 0.00 N ATOM 503 CA LEU A 35 10.336 -2.564 2.176 1.00 0.00 C ATOM 504 C LEU A 35 11.478 -2.686 3.181 1.00 0.00 C ATOM 505 O LEU A 35 12.347 -1.816 3.235 1.00 0.00 O ATOM 506 CB LEU A 35 9.081 -2.036 2.870 1.00 0.00 C ATOM 507 CG LEU A 35 8.581 -0.677 2.380 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.523 -0.645 0.861 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.212 -0.376 2.971 1.00 0.00 C ATOM 0 H LEU A 35 9.017 -3.969 1.349 1.00 0.00 H new ATOM 0 HA LEU A 35 10.680 -1.866 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.282 -2.766 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.280 -1.966 3.939 1.00 0.00 H new ATOM 0 HG LEU A 35 9.281 0.090 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.165 0.330 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.519 -0.822 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.844 -1.420 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.867 0.595 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.506 -1.147 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.281 -0.359 4.059 1.00 0.00 H new ATOM 521 N SER A 36 11.455 -3.743 3.985 1.00 0.00 N ATOM 522 CA SER A 36 12.492 -3.983 4.998 1.00 0.00 C ATOM 523 C SER A 36 13.883 -3.487 4.574 1.00 0.00 C ATOM 524 O SER A 36 14.673 -3.069 5.421 1.00 0.00 O ATOM 525 CB SER A 36 12.562 -5.475 5.327 1.00 0.00 C ATOM 526 OG SER A 36 13.553 -5.737 6.305 1.00 0.00 O ATOM 0 H SER A 36 10.726 -4.456 3.959 1.00 0.00 H new ATOM 0 HA SER A 36 12.204 -3.409 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.592 -5.817 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.782 -6.040 4.421 1.00 0.00 H new ATOM 0 HG SER A 36 13.576 -6.697 6.498 1.00 0.00 H new ATOM 532 N LYS A 37 14.189 -3.530 3.277 1.00 0.00 N ATOM 533 CA LYS A 37 15.499 -3.064 2.807 1.00 0.00 C ATOM 534 C LYS A 37 15.457 -2.350 1.443 1.00 0.00 C ATOM 535 O LYS A 37 16.399 -1.638 1.093 1.00 0.00 O ATOM 536 CB LYS A 37 16.468 -4.242 2.732 1.00 0.00 C ATOM 537 CG LYS A 37 16.631 -4.979 4.048 1.00 0.00 C ATOM 538 CD LYS A 37 17.531 -6.194 3.897 1.00 0.00 C ATOM 539 CE LYS A 37 17.701 -6.929 5.217 1.00 0.00 C ATOM 540 NZ LYS A 37 18.275 -6.049 6.271 1.00 0.00 N ATOM 0 H LYS A 37 13.566 -3.874 2.546 1.00 0.00 H new ATOM 0 HA LYS A 37 15.836 -2.325 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.117 -4.942 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.443 -3.880 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.050 -4.305 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.653 -5.292 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.109 -6.871 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.507 -5.881 3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.735 -7.309 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.350 -7.792 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.611 -6.631 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.072 -5.509 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.544 -5.391 6.609 1.00 0.00 H new ATOM 554 N MET A 38 14.384 -2.529 0.678 1.00 0.00 N ATOM 555 CA MET A 38 14.273 -1.917 -0.647 1.00 0.00 C ATOM 556 C MET A 38 14.590 -0.422 -0.661 1.00 0.00 C ATOM 557 O MET A 38 14.255 0.318 0.265 1.00 0.00 O ATOM 558 CB MET A 38 12.877 -2.144 -1.207 1.00 0.00 C ATOM 559 CG MET A 38 12.558 -3.606 -1.433 1.00 0.00 C ATOM 560 SD MET A 38 13.528 -4.330 -2.771 1.00 0.00 S ATOM 561 CE MET A 38 13.562 -6.050 -2.273 1.00 0.00 C ATOM 0 H MET A 38 13.578 -3.092 0.951 1.00 0.00 H new ATOM 0 HA MET A 38 15.023 -2.403 -1.271 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.144 -1.720 -0.521 1.00 0.00 H new ATOM 0 HB3 MET A 38 12.779 -1.607 -2.150 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.744 -4.161 -0.513 1.00 0.00 H new ATOM 0 HG3 MET A 38 11.497 -3.712 -1.660 1.00 0.00 H new ATOM 0 HE1 MET A 38 13.834 -6.671 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.296 -6.184 -1.478 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.577 -6.343 -1.910 1.00 0.00 H new ATOM 571 N SER A 39 15.246 -0.004 -1.743 1.00 0.00 N ATOM 572 CA SER A 39 15.614 1.394 -1.950 1.00 0.00 C ATOM 573 C SER A 39 14.382 2.244 -2.219 1.00 0.00 C ATOM 574 O SER A 39 13.291 1.719 -2.393 1.00 0.00 O ATOM 575 CB SER A 39 16.587 1.529 -3.118 1.00 0.00 C ATOM 576 OG SER A 39 16.670 2.873 -3.560 1.00 0.00 O ATOM 0 H SER A 39 15.536 -0.624 -2.499 1.00 0.00 H new ATOM 0 HA SER A 39 16.097 1.747 -1.039 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.574 1.181 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.263 0.892 -3.941 1.00 0.00 H new ATOM 0 HG SER A 39 17.301 2.933 -4.308 1.00 0.00 H new ATOM 582 N ALA A 40 14.566 3.559 -2.231 1.00 0.00 N ATOM 583 CA ALA A 40 13.462 4.492 -2.478 1.00 0.00 C ATOM 584 C ALA A 40 12.877 4.349 -3.887 1.00 0.00 C ATOM 585 O ALA A 40 11.660 4.317 -4.066 1.00 0.00 O ATOM 586 CB ALA A 40 13.900 5.930 -2.238 1.00 0.00 C ATOM 0 H ALA A 40 15.468 4.008 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 40 12.675 4.235 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.063 6.602 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.228 6.043 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.723 6.177 -2.909 1.00 0.00 H new ATOM 592 N SER A 41 13.749 4.270 -4.887 1.00 0.00 N ATOM 593 CA SER A 41 13.323 4.176 -6.281 1.00 0.00 C ATOM 594 C SER A 41 12.227 3.141 -6.479 1.00 0.00 C ATOM 595 O SER A 41 11.130 3.466 -6.934 1.00 0.00 O ATOM 596 CB SER A 41 14.517 3.831 -7.169 1.00 0.00 C ATOM 597 OG SER A 41 15.431 4.911 -7.242 1.00 0.00 O ATOM 0 H SER A 41 14.761 4.269 -4.758 1.00 0.00 H new ATOM 0 HA SER A 41 12.916 5.148 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.023 2.949 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.168 3.578 -8.170 1.00 0.00 H new ATOM 0 HG SER A 41 16.186 4.662 -7.815 1.00 0.00 H new ATOM 603 N GLN A 42 12.522 1.899 -6.136 1.00 0.00 N ATOM 604 CA GLN A 42 11.552 0.823 -6.300 1.00 0.00 C ATOM 605 C GLN A 42 10.245 1.154 -5.592 1.00 0.00 C ATOM 606 O GLN A 42 9.179 0.677 -5.976 1.00 0.00 O ATOM 607 CB GLN A 42 12.112 -0.494 -5.782 1.00 0.00 C ATOM 608 CG GLN A 42 12.288 -0.522 -4.284 1.00 0.00 C ATOM 609 CD GLN A 42 11.008 -0.877 -3.547 1.00 0.00 C ATOM 610 OE1 GLN A 42 10.276 -0.005 -3.084 1.00 0.00 O ATOM 611 NE2 GLN A 42 10.734 -2.167 -3.434 1.00 0.00 N ATOM 0 H GLN A 42 13.418 1.609 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 42 11.349 0.718 -7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.446 -1.305 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.075 -0.683 -6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.062 -1.245 -4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.638 0.453 -3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.368 -2.860 -3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.889 -2.468 -2.948 1.00 0.00 H new ATOM 620 N VAL A 43 10.337 1.988 -4.566 1.00 0.00 N ATOM 621 CA VAL A 43 9.150 2.374 -3.814 1.00 0.00 C ATOM 622 C VAL A 43 8.162 3.038 -4.752 1.00 0.00 C ATOM 623 O VAL A 43 6.949 2.871 -4.624 1.00 0.00 O ATOM 624 CB VAL A 43 9.454 3.336 -2.659 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.245 3.461 -1.757 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.665 2.877 -1.868 1.00 0.00 C ATOM 0 H VAL A 43 11.208 2.406 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 43 8.739 1.463 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 43 9.684 4.315 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.470 4.146 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.401 3.845 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.992 2.482 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.856 3.578 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.476 1.886 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.534 2.836 -2.524 1.00 0.00 H new ATOM 636 N LYS A 44 8.699 3.796 -5.702 1.00 0.00 N ATOM 637 CA LYS A 44 7.877 4.466 -6.697 1.00 0.00 C ATOM 638 C LYS A 44 6.963 3.450 -7.362 1.00 0.00 C ATOM 639 O LYS A 44 5.772 3.693 -7.541 1.00 0.00 O ATOM 640 CB LYS A 44 8.757 5.139 -7.748 1.00 0.00 C ATOM 641 CG LYS A 44 9.452 6.397 -7.253 1.00 0.00 C ATOM 642 CD LYS A 44 10.779 6.619 -7.963 1.00 0.00 C ATOM 643 CE LYS A 44 10.629 6.537 -9.473 1.00 0.00 C ATOM 644 NZ LYS A 44 11.926 6.744 -10.174 1.00 0.00 N ATOM 0 H LYS A 44 9.701 3.960 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 44 7.276 5.232 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.511 4.428 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.145 5.390 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.804 7.259 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.621 6.321 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.179 7.595 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.500 5.874 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.221 5.563 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.912 7.287 -9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.779 6.680 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.303 7.683 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.603 6.013 -9.875 1.00 0.00 H new ATOM 658 N ASP A 45 7.542 2.307 -7.723 1.00 0.00 N ATOM 659 CA ASP A 45 6.785 1.232 -8.344 1.00 0.00 C ATOM 660 C ASP A 45 5.795 0.669 -7.336 1.00 0.00 C ATOM 661 O ASP A 45 4.617 0.488 -7.639 1.00 0.00 O ATOM 662 CB ASP A 45 7.716 0.132 -8.839 1.00 0.00 C ATOM 663 CG ASP A 45 6.962 -1.038 -9.440 1.00 0.00 C ATOM 664 OD1 ASP A 45 6.475 -1.890 -8.668 1.00 0.00 O ATOM 665 OD2 ASP A 45 6.858 -1.102 -10.684 1.00 0.00 O ATOM 0 H ASP A 45 8.534 2.105 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 45 6.245 1.628 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.396 0.544 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.329 -0.222 -8.010 1.00 0.00 H new ATOM 670 N ILE A 46 6.286 0.392 -6.127 1.00 0.00 N ATOM 671 CA ILE A 46 5.445 -0.110 -5.049 1.00 0.00 C ATOM 672 C ILE A 46 4.208 0.780 -4.922 1.00 0.00 C ATOM 673 O ILE A 46 3.072 0.312 -5.003 1.00 0.00 O ATOM 674 CB ILE A 46 6.263 -0.159 -3.732 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.033 -1.475 -3.649 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.396 0.021 -2.493 1.00 0.00 C ATOM 677 CD1 ILE A 46 7.791 -1.830 -4.911 1.00 0.00 C ATOM 0 H ILE A 46 7.267 0.509 -5.873 1.00 0.00 H new ATOM 0 HA ILE A 46 5.110 -1.124 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 46 6.960 0.679 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.737 -1.419 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.333 -2.279 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.022 -0.022 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.894 0.987 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.651 -0.773 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.310 -2.778 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.092 -1.920 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.517 -1.048 -5.131 1.00 0.00 H new ATOM 689 N PHE A 47 4.455 2.068 -4.717 1.00 0.00 N ATOM 690 CA PHE A 47 3.401 3.076 -4.621 1.00 0.00 C ATOM 691 C PHE A 47 2.277 2.797 -5.618 1.00 0.00 C ATOM 692 O PHE A 47 1.092 2.927 -5.306 1.00 0.00 O ATOM 693 CB PHE A 47 4.036 4.446 -4.906 1.00 0.00 C ATOM 694 CG PHE A 47 3.108 5.485 -5.486 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.154 6.105 -4.701 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.198 5.829 -6.826 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.306 7.052 -5.241 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.353 6.776 -7.371 1.00 0.00 C ATOM 699 CZ PHE A 47 1.405 7.388 -6.577 1.00 0.00 C ATOM 0 H PHE A 47 5.396 2.447 -4.612 1.00 0.00 H new ATOM 0 HA PHE A 47 2.961 3.055 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.452 4.834 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.870 4.304 -5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.071 5.846 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.938 5.351 -7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.565 7.530 -4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.434 7.037 -8.416 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.742 8.128 -6.999 1.00 0.00 H new ATOM 709 N ARG A 48 2.680 2.412 -6.812 1.00 0.00 N ATOM 710 CA ARG A 48 1.742 2.134 -7.891 1.00 0.00 C ATOM 711 C ARG A 48 0.719 1.076 -7.498 1.00 0.00 C ATOM 712 O ARG A 48 -0.405 1.082 -8.000 1.00 0.00 O ATOM 713 CB ARG A 48 2.490 1.700 -9.148 1.00 0.00 C ATOM 714 CG ARG A 48 3.594 2.662 -9.533 1.00 0.00 C ATOM 715 CD ARG A 48 3.073 4.087 -9.649 1.00 0.00 C ATOM 716 NE ARG A 48 2.084 4.213 -10.715 1.00 0.00 N ATOM 717 CZ ARG A 48 2.401 4.349 -11.999 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.673 4.377 -12.372 1.00 0.00 N ATOM 719 NH2 ARG A 48 1.446 4.451 -12.914 1.00 0.00 N ATOM 0 H ARG A 48 3.660 2.282 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 48 1.200 3.057 -8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.916 0.710 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.784 1.614 -9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.389 2.623 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.032 2.355 -10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.628 4.390 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.905 4.764 -9.842 1.00 0.00 H new ATOM 0 HE ARG A 48 1.096 4.196 -10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.411 4.294 -11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.913 4.481 -13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.466 4.425 -12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.692 4.555 -13.898 1.00 0.00 H new ATOM 733 N PHE A 49 1.098 0.165 -6.603 1.00 0.00 N ATOM 734 CA PHE A 49 0.174 -0.881 -6.178 1.00 0.00 C ATOM 735 C PHE A 49 -1.142 -0.273 -5.717 1.00 0.00 C ATOM 736 O PHE A 49 -2.198 -0.580 -6.270 1.00 0.00 O ATOM 737 CB PHE A 49 0.771 -1.762 -5.072 1.00 0.00 C ATOM 738 CG PHE A 49 -0.224 -2.735 -4.490 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.605 -3.865 -5.198 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.784 -2.513 -3.240 1.00 0.00 C ATOM 741 CE1 PHE A 49 -1.522 -4.754 -4.670 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.701 -3.400 -2.709 1.00 0.00 C ATOM 743 CZ PHE A 49 -2.070 -4.521 -3.424 1.00 0.00 C ATOM 0 H PHE A 49 2.019 0.130 -6.167 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.011 -1.520 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.619 -2.316 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.156 -1.125 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.180 -4.052 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.500 -1.637 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.810 -5.630 -5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.129 -3.216 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.786 -5.215 -3.010 1.00 0.00 H new ATOM 753 N ILE A 50 -1.086 0.586 -4.705 1.00 0.00 N ATOM 754 CA ILE A 50 -2.298 1.205 -4.212 1.00 0.00 C ATOM 755 C ILE A 50 -2.927 2.107 -5.281 1.00 0.00 C ATOM 756 O ILE A 50 -3.022 1.699 -6.439 1.00 0.00 O ATOM 757 CB ILE A 50 -2.075 1.941 -2.866 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.932 2.964 -2.943 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.792 0.930 -1.772 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.662 3.649 -1.610 1.00 0.00 C ATOM 0 H ILE A 50 -0.231 0.862 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.013 0.410 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.987 2.492 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.024 2.463 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.176 3.718 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.636 1.450 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.639 0.251 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.897 0.361 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.155 4.361 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.559 4.176 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.389 2.901 -0.865 1.00 0.00 H new ATOM 772 N ASP A 51 -3.358 3.317 -4.931 1.00 0.00 N ATOM 773 CA ASP A 51 -3.983 4.192 -5.911 1.00 0.00 C ATOM 774 C ASP A 51 -2.917 4.844 -6.800 1.00 0.00 C ATOM 775 O ASP A 51 -1.756 4.944 -6.404 1.00 0.00 O ATOM 776 CB ASP A 51 -4.871 5.204 -5.190 1.00 0.00 C ATOM 777 CG ASP A 51 -6.186 4.579 -4.770 1.00 0.00 C ATOM 778 OD1 ASP A 51 -7.062 4.399 -5.642 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.340 4.268 -3.570 1.00 0.00 O ATOM 0 H ASP A 51 -3.286 3.706 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.625 3.618 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.351 5.587 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.062 6.055 -5.844 1.00 0.00 H new ATOM 784 N ASN A 52 -3.303 5.284 -8.003 1.00 0.00 N ATOM 785 CA ASN A 52 -2.315 5.837 -8.933 1.00 0.00 C ATOM 786 C ASN A 52 -2.556 7.271 -9.440 1.00 0.00 C ATOM 787 O ASN A 52 -1.609 8.053 -9.504 1.00 0.00 O ATOM 788 CB ASN A 52 -2.202 4.900 -10.135 1.00 0.00 C ATOM 789 CG ASN A 52 -1.199 5.371 -11.175 1.00 0.00 C ATOM 790 OD1 ASN A 52 -1.366 5.117 -12.368 1.00 0.00 O ATOM 791 ND2 ASN A 52 -0.148 6.059 -10.735 1.00 0.00 N ATOM 0 H ASN A 52 -4.263 5.269 -8.348 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.397 5.909 -8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.915 3.908 -9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.181 4.802 -10.604 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.554 6.396 -11.394 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.044 6.250 -9.738 1.00 0.00 H new ATOM 798 N ASP A 53 -3.784 7.638 -9.807 1.00 0.00 N ATOM 799 CA ASP A 53 -3.995 8.976 -10.381 1.00 0.00 C ATOM 800 C ASP A 53 -5.113 9.784 -9.736 1.00 0.00 C ATOM 801 O ASP A 53 -6.094 10.133 -10.396 1.00 0.00 O ATOM 802 CB ASP A 53 -4.297 8.834 -11.867 1.00 0.00 C ATOM 803 CG ASP A 53 -3.259 8.004 -12.596 1.00 0.00 C ATOM 804 OD1 ASP A 53 -3.403 6.763 -12.622 1.00 0.00 O ATOM 805 OD2 ASP A 53 -2.301 8.593 -13.139 1.00 0.00 O ATOM 0 H ASP A 53 -4.619 7.059 -9.724 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.074 9.527 -10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.278 8.375 -11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.348 9.824 -12.320 1.00 0.00 H new ATOM 810 N GLN A 54 -4.980 10.086 -8.460 1.00 0.00 N ATOM 811 CA GLN A 54 -5.993 10.874 -7.778 1.00 0.00 C ATOM 812 C GLN A 54 -5.586 12.338 -7.609 1.00 0.00 C ATOM 813 O GLN A 54 -6.089 13.028 -6.725 1.00 0.00 O ATOM 814 CB GLN A 54 -6.355 10.255 -6.451 1.00 0.00 C ATOM 815 CG GLN A 54 -6.047 8.771 -6.387 1.00 0.00 C ATOM 816 CD GLN A 54 -6.699 8.094 -5.210 1.00 0.00 C ATOM 817 OE1 GLN A 54 -7.140 6.955 -5.306 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.769 8.799 -4.092 1.00 0.00 N ATOM 0 H GLN A 54 -4.191 9.803 -7.878 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.877 10.868 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.813 10.768 -5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.417 10.409 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.383 8.294 -7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.968 8.630 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.387 9.744 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.205 8.397 -3.262 1.00 0.00 H new ATOM 827 N SER A 55 -4.663 12.788 -8.458 1.00 0.00 N ATOM 828 CA SER A 55 -4.185 14.178 -8.475 1.00 0.00 C ATOM 829 C SER A 55 -2.966 14.380 -7.590 1.00 0.00 C ATOM 830 O SER A 55 -2.958 15.231 -6.699 1.00 0.00 O ATOM 831 CB SER A 55 -5.285 15.168 -8.068 1.00 0.00 C ATOM 832 OG SER A 55 -6.490 14.912 -8.768 1.00 0.00 O ATOM 0 H SER A 55 -4.220 12.197 -9.161 1.00 0.00 H new ATOM 0 HA SER A 55 -3.897 14.379 -9.507 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.463 15.097 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.954 16.187 -8.270 1.00 0.00 H new ATOM 0 HG SER A 55 -7.174 15.556 -8.488 1.00 0.00 H new ATOM 838 N GLY A 56 -1.935 13.587 -7.847 1.00 0.00 N ATOM 839 CA GLY A 56 -0.694 13.715 -7.108 1.00 0.00 C ATOM 840 C GLY A 56 -0.742 13.126 -5.718 1.00 0.00 C ATOM 841 O GLY A 56 0.218 13.262 -4.959 1.00 0.00 O ATOM 0 H GLY A 56 -1.936 12.854 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.103 13.229 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.434 14.771 -7.035 1.00 0.00 H new ATOM 845 N TYR A 57 -1.841 12.476 -5.364 1.00 0.00 N ATOM 846 CA TYR A 57 -1.943 11.896 -4.036 1.00 0.00 C ATOM 847 C TYR A 57 -3.074 10.898 -3.909 1.00 0.00 C ATOM 848 O TYR A 57 -3.929 10.797 -4.777 1.00 0.00 O ATOM 849 CB TYR A 57 -2.114 12.983 -2.978 1.00 0.00 C ATOM 850 CG TYR A 57 -3.230 13.950 -3.282 1.00 0.00 C ATOM 851 CD1 TYR A 57 -4.551 13.527 -3.368 1.00 0.00 C ATOM 852 CD2 TYR A 57 -2.957 15.289 -3.489 1.00 0.00 C ATOM 853 CE1 TYR A 57 -5.568 14.420 -3.650 1.00 0.00 C ATOM 854 CE2 TYR A 57 -3.965 16.191 -3.774 1.00 0.00 C ATOM 855 CZ TYR A 57 -5.270 15.751 -3.853 1.00 0.00 C ATOM 856 OH TYR A 57 -6.278 16.643 -4.136 1.00 0.00 O ATOM 0 H TYR A 57 -2.656 12.339 -5.962 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.008 11.360 -3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.305 12.513 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.180 13.537 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.787 12.485 -3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.937 15.637 -3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.590 14.077 -3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.732 17.233 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.899 17.540 -4.250 1.00 0.00 H new ATOM 866 N LEU A 58 -3.043 10.151 -2.814 1.00 0.00 N ATOM 867 CA LEU A 58 -4.066 9.165 -2.521 1.00 0.00 C ATOM 868 C LEU A 58 -4.777 9.557 -1.230 1.00 0.00 C ATOM 869 O LEU A 58 -4.223 10.320 -0.451 1.00 0.00 O ATOM 870 CB LEU A 58 -3.435 7.783 -2.416 1.00 0.00 C ATOM 871 CG LEU A 58 -2.536 7.432 -3.600 1.00 0.00 C ATOM 872 CD1 LEU A 58 -2.005 6.011 -3.481 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.285 7.640 -4.900 1.00 0.00 C ATOM 0 H LEU A 58 -2.309 10.213 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.802 9.132 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.851 7.728 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.225 7.037 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.673 8.098 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.368 5.788 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.426 5.915 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.840 5.311 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.636 7.387 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.167 7.000 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.592 8.683 -4.980 1.00 0.00 H new ATOM 885 N ASP A 59 -5.992 9.058 -0.982 1.00 0.00 N ATOM 886 CA ASP A 59 -6.691 9.446 0.232 1.00 0.00 C ATOM 887 C ASP A 59 -7.603 8.353 0.748 1.00 0.00 C ATOM 888 O ASP A 59 -8.126 7.530 -0.004 1.00 0.00 O ATOM 889 CB ASP A 59 -7.485 10.717 -0.019 1.00 0.00 C ATOM 890 CG ASP A 59 -8.007 11.339 1.261 1.00 0.00 C ATOM 891 OD1 ASP A 59 -9.132 10.988 1.677 1.00 0.00 O ATOM 892 OD2 ASP A 59 -7.292 12.179 1.848 1.00 0.00 O ATOM 0 H ASP A 59 -6.493 8.407 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.940 9.624 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.855 11.438 -0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.324 10.493 -0.678 1.00 0.00 H new ATOM 897 N GLY A 60 -7.785 8.387 2.061 1.00 0.00 N ATOM 898 CA GLY A 60 -8.557 7.383 2.777 1.00 0.00 C ATOM 899 C GLY A 60 -9.851 6.990 2.105 1.00 0.00 C ATOM 900 O GLY A 60 -10.334 5.873 2.293 1.00 0.00 O ATOM 0 H GLY A 60 -7.399 9.116 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.942 6.492 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.781 7.759 3.775 1.00 0.00 H new ATOM 904 N ASP A 61 -10.421 7.898 1.331 1.00 0.00 N ATOM 905 CA ASP A 61 -11.668 7.610 0.649 1.00 0.00 C ATOM 906 C ASP A 61 -11.408 6.657 -0.506 1.00 0.00 C ATOM 907 O ASP A 61 -12.089 5.646 -0.675 1.00 0.00 O ATOM 908 CB ASP A 61 -12.311 8.901 0.136 1.00 0.00 C ATOM 909 CG ASP A 61 -12.613 9.880 1.254 1.00 0.00 C ATOM 910 OD1 ASP A 61 -11.731 10.700 1.581 1.00 0.00 O ATOM 911 OD2 ASP A 61 -13.735 9.826 1.802 1.00 0.00 O ATOM 0 H ASP A 61 -10.044 8.831 1.161 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.356 7.142 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.645 9.373 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.234 8.660 -0.391 1.00 0.00 H new ATOM 916 N GLU A 62 -10.405 7.011 -1.295 1.00 0.00 N ATOM 917 CA GLU A 62 -10.013 6.244 -2.469 1.00 0.00 C ATOM 918 C GLU A 62 -9.152 5.025 -2.129 1.00 0.00 C ATOM 919 O GLU A 62 -9.193 4.010 -2.824 1.00 0.00 O ATOM 920 CB GLU A 62 -9.237 7.142 -3.404 1.00 0.00 C ATOM 921 CG GLU A 62 -9.957 8.431 -3.752 1.00 0.00 C ATOM 922 CD GLU A 62 -11.142 8.216 -4.672 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.923 7.997 -5.881 1.00 0.00 O ATOM 924 OE2 GLU A 62 -12.289 8.265 -4.180 1.00 0.00 O ATOM 0 H GLU A 62 -9.836 7.843 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.928 5.876 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.278 7.385 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.023 6.596 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.298 8.909 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.255 9.116 -4.227 1.00 0.00 H new ATOM 931 N LEU A 63 -8.378 5.139 -1.057 1.00 0.00 N ATOM 932 CA LEU A 63 -7.449 4.086 -0.647 1.00 0.00 C ATOM 933 C LEU A 63 -8.028 2.678 -0.793 1.00 0.00 C ATOM 934 O LEU A 63 -7.333 1.763 -1.232 1.00 0.00 O ATOM 935 CB LEU A 63 -7.023 4.304 0.807 1.00 0.00 C ATOM 936 CG LEU A 63 -6.046 5.447 1.039 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.479 5.373 2.444 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.953 5.470 -0.024 1.00 0.00 C ATOM 0 H LEU A 63 -8.374 5.958 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.592 4.154 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.916 4.485 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.572 3.383 1.177 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.585 6.390 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.781 6.196 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.291 5.445 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.957 4.425 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.272 6.299 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.399 4.532 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.405 5.596 -1.008 1.00 0.00 H new ATOM 950 N LYS A 64 -9.292 2.498 -0.428 1.00 0.00 N ATOM 951 CA LYS A 64 -9.920 1.186 -0.502 1.00 0.00 C ATOM 952 C LYS A 64 -9.992 0.629 -1.929 1.00 0.00 C ATOM 953 O LYS A 64 -10.205 -0.569 -2.113 1.00 0.00 O ATOM 954 CB LYS A 64 -11.322 1.240 0.127 1.00 0.00 C ATOM 955 CG LYS A 64 -12.166 2.462 -0.237 1.00 0.00 C ATOM 956 CD LYS A 64 -12.666 2.410 -1.672 1.00 0.00 C ATOM 957 CE LYS A 64 -13.767 1.379 -1.837 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.016 1.792 -1.139 1.00 0.00 N ATOM 0 H LYS A 64 -9.899 3.240 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.288 0.500 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.867 0.344 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.215 1.205 1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.018 2.528 0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.574 3.366 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.038 3.392 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.838 2.170 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.974 1.233 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.430 0.420 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.818 1.244 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.918 1.615 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.185 2.806 -1.300 1.00 0.00 H new ATOM 972 N TYR A 65 -9.818 1.480 -2.937 1.00 0.00 N ATOM 973 CA TYR A 65 -9.843 1.017 -4.328 1.00 0.00 C ATOM 974 C TYR A 65 -8.534 0.319 -4.706 1.00 0.00 C ATOM 975 O TYR A 65 -8.447 -0.327 -5.751 1.00 0.00 O ATOM 976 CB TYR A 65 -10.098 2.171 -5.299 1.00 0.00 C ATOM 977 CG TYR A 65 -11.348 2.966 -5.001 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.553 2.329 -4.742 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.324 4.356 -4.987 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.701 3.053 -4.477 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.468 5.084 -4.721 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.652 4.429 -4.467 1.00 0.00 C ATOM 983 OH TYR A 65 -14.792 5.152 -4.202 1.00 0.00 O ATOM 0 H TYR A 65 -9.660 2.481 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.663 0.303 -4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.240 2.843 -5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.168 1.771 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.595 1.250 -4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.398 4.874 -5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.631 2.542 -4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.433 6.163 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.586 6.110 -4.232 1.00 0.00 H new ATOM 993 N PHE A 66 -7.524 0.447 -3.848 1.00 0.00 N ATOM 994 CA PHE A 66 -6.213 -0.120 -4.096 1.00 0.00 C ATOM 995 C PHE A 66 -6.282 -1.563 -4.615 1.00 0.00 C ATOM 996 O PHE A 66 -5.474 -1.971 -5.450 1.00 0.00 O ATOM 997 CB PHE A 66 -5.400 -0.034 -2.790 1.00 0.00 C ATOM 998 CG PHE A 66 -5.628 -1.155 -1.814 1.00 0.00 C ATOM 999 CD1 PHE A 66 -6.900 -1.571 -1.492 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -4.559 -1.810 -1.235 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -7.102 -2.615 -0.623 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.762 -2.859 -0.362 1.00 0.00 C ATOM 1003 CZ PHE A 66 -6.029 -3.262 -0.059 1.00 0.00 C ATOM 0 H PHE A 66 -7.598 0.948 -2.963 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.724 0.452 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.340 -0.005 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.636 0.909 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.751 -1.069 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.552 -1.497 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.107 -2.928 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.916 -3.362 0.082 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.188 -4.086 0.621 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.242 -2.319 -4.117 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.445 -3.691 -4.493 1.00 0.00 C ATOM 1015 C LEU A 67 -8.277 -3.757 -5.752 1.00 0.00 C ATOM 1016 O LEU A 67 -8.129 -4.660 -6.567 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.130 -4.414 -3.338 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.174 -5.136 -2.404 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -7.900 -5.649 -1.175 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.491 -6.250 -3.153 1.00 0.00 C ATOM 0 H LEU A 67 -7.912 -1.982 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.491 -4.176 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.707 -3.691 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.838 -5.136 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.415 -4.437 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.193 -6.162 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.346 -4.811 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.683 -6.343 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.804 -6.770 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.239 -6.952 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.935 -5.836 -3.994 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.138 -2.767 -5.905 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.014 -2.686 -7.047 1.00 0.00 C ATOM 1034 C GLN A 68 -9.197 -2.448 -8.300 1.00 0.00 C ATOM 1035 O GLN A 68 -9.456 -3.047 -9.345 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.036 -1.576 -6.825 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.052 -1.923 -5.754 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.333 -1.120 -5.877 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.330 0.003 -6.380 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.437 -1.694 -5.413 1.00 0.00 N ATOM 0 H GLN A 68 -9.245 -2.001 -5.240 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.554 -3.624 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.516 -0.660 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.556 -1.373 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.287 -2.986 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.612 -1.749 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.393 -2.627 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.329 -1.202 -5.466 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.205 -1.569 -8.199 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.327 -1.288 -9.323 1.00 0.00 C ATOM 1051 C LYS A 69 -6.752 -2.575 -9.894 1.00 0.00 C ATOM 1052 O LYS A 69 -6.994 -2.927 -11.048 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.152 -0.415 -8.870 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.522 0.718 -7.927 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.734 1.493 -8.397 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.600 1.931 -9.846 1.00 0.00 C ATOM 1057 NZ LYS A 69 -8.820 2.637 -10.327 1.00 0.00 N ATOM 0 H LYS A 69 -7.992 -1.042 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.918 -0.774 -10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.414 -1.050 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.672 0.008 -9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.718 0.311 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.675 1.398 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.625 0.876 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.872 2.370 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.736 2.588 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.414 1.059 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.689 2.920 -11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.640 2.002 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.984 3.483 -9.745 1.00 0.00 H new ATOM 1071 N PHE A 70 -5.989 -3.264 -9.063 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.339 -4.504 -9.454 1.00 0.00 C ATOM 1073 C PHE A 70 -6.348 -5.651 -9.594 1.00 0.00 C ATOM 1074 O PHE A 70 -6.316 -6.396 -10.571 1.00 0.00 O ATOM 1075 CB PHE A 70 -4.221 -4.808 -8.433 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.173 -6.219 -7.901 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -3.459 -7.206 -8.560 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.848 -6.548 -6.737 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -3.418 -8.497 -8.065 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -4.812 -7.833 -6.238 1.00 0.00 C ATOM 1081 CZ PHE A 70 -4.096 -8.810 -6.902 1.00 0.00 C ATOM 0 H PHE A 70 -5.803 -2.981 -8.101 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.891 -4.396 -10.442 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.261 -4.584 -8.899 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.333 -4.127 -7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.929 -6.965 -9.470 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.410 -5.788 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.857 -9.259 -8.586 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.343 -8.075 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.066 -9.817 -6.513 1.00 0.00 H new ATOM 1091 N GLN A 71 -7.239 -5.788 -8.618 1.00 0.00 N ATOM 1092 CA GLN A 71 -8.236 -6.853 -8.653 1.00 0.00 C ATOM 1093 C GLN A 71 -9.419 -6.479 -9.544 1.00 0.00 C ATOM 1094 O GLN A 71 -9.530 -6.977 -10.665 1.00 0.00 O ATOM 1095 CB GLN A 71 -8.726 -7.196 -7.241 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.539 -8.481 -7.182 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.056 -8.803 -5.790 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.416 -7.776 -5.025 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.149 -9.971 -5.409 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.292 -5.181 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.754 -7.734 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.866 -7.288 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.333 -6.373 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.384 -8.400 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.923 -9.309 -7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.863 -10.732 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.512 -10.176 -4.478 1.00 0.00 H new ATOM 1108 N SER A 72 -10.291 -5.603 -9.014 1.00 0.00 N ATOM 1109 CA SER A 72 -11.514 -5.116 -9.684 1.00 0.00 C ATOM 1110 C SER A 72 -12.757 -5.583 -8.923 1.00 0.00 C ATOM 1111 O SER A 72 -13.873 -5.509 -9.438 1.00 0.00 O ATOM 1112 CB SER A 72 -11.617 -5.548 -11.148 1.00 0.00 C ATOM 1113 OG SER A 72 -10.511 -5.078 -11.900 1.00 0.00 O ATOM 0 H SER A 72 -10.163 -5.203 -8.084 1.00 0.00 H new ATOM 0 HA SER A 72 -11.453 -4.028 -9.677 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.664 -6.635 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.542 -5.165 -11.579 1.00 0.00 H new ATOM 0 HG SER A 72 -9.790 -5.741 -11.870 1.00 0.00 H new ATOM 1119 N ASP A 73 -12.557 -6.063 -7.693 1.00 0.00 N ATOM 1120 CA ASP A 73 -13.656 -6.551 -6.869 1.00 0.00 C ATOM 1121 C ASP A 73 -13.286 -6.515 -5.389 1.00 0.00 C ATOM 1122 O ASP A 73 -13.750 -7.342 -4.605 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.032 -7.977 -7.279 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.302 -8.460 -6.604 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.394 -8.242 -7.170 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -15.204 -9.058 -5.512 1.00 0.00 O ATOM 0 H ASP A 73 -11.641 -6.122 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.513 -5.896 -7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.161 -8.019 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.213 -8.651 -7.029 1.00 0.00 H new ATOM 1131 N ALA A 74 -12.448 -5.552 -5.008 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.021 -5.419 -3.623 1.00 0.00 C ATOM 1133 C ALA A 74 -13.210 -5.290 -2.688 1.00 0.00 C ATOM 1134 O ALA A 74 -14.306 -4.917 -3.107 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.125 -4.202 -3.464 1.00 0.00 C ATOM 0 H ALA A 74 -12.054 -4.855 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.468 -6.321 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.812 -4.114 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.246 -4.312 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.673 -3.306 -3.755 1.00 0.00 H new ATOM 1141 N ARG A 75 -12.988 -5.599 -1.417 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.039 -5.488 -0.421 1.00 0.00 C ATOM 1143 C ARG A 75 -14.220 -4.030 0.009 1.00 0.00 C ATOM 1144 O ARG A 75 -15.230 -3.681 0.614 1.00 0.00 O ATOM 1145 CB ARG A 75 -13.733 -6.368 0.793 1.00 0.00 C ATOM 1146 CG ARG A 75 -12.627 -5.834 1.690 1.00 0.00 C ATOM 1147 CD ARG A 75 -11.248 -6.099 1.109 1.00 0.00 C ATOM 1148 NE ARG A 75 -10.243 -6.256 2.156 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.064 -7.386 2.836 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -10.794 -8.457 2.553 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -9.159 -7.445 3.801 1.00 0.00 N ATOM 0 H ARG A 75 -12.093 -5.927 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.970 -5.836 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.642 -6.480 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.454 -7.363 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.761 -4.762 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.702 -6.298 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.278 -6.999 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.965 -5.276 0.453 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.647 -5.458 2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.494 -8.416 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.655 -9.322 3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.597 -6.623 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.024 -8.312 4.321 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.214 -3.198 -0.305 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.220 -1.760 -0.005 1.00 0.00 C ATOM 1167 C GLU A 76 -12.576 -1.472 1.339 1.00 0.00 C ATOM 1168 O GLU A 76 -13.026 -0.615 2.099 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.625 -1.171 -0.062 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.342 -1.485 -1.362 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.807 -1.096 -1.336 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.616 -1.861 -0.769 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.147 -0.024 -1.881 1.00 0.00 O ATOM 0 H GLU A 76 -12.366 -3.509 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.626 -1.275 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.210 -1.557 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.566 -0.090 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.847 -0.962 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.258 -2.552 -1.569 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.492 -2.180 1.574 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.693 -2.096 2.799 1.00 0.00 C ATOM 1182 C LEU A 77 -11.464 -1.744 4.065 1.00 0.00 C ATOM 1183 O LEU A 77 -10.863 -1.265 5.025 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.574 -1.082 2.576 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.468 -1.583 1.703 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.375 -0.542 1.597 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.908 -2.888 2.240 1.00 0.00 C ATOM 0 H LEU A 77 -11.123 -2.854 0.903 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.311 -3.101 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.996 -0.182 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.159 -0.795 3.542 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.871 -1.770 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.575 -0.918 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.784 0.372 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.978 -0.329 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.105 -3.234 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.518 -2.730 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.699 -3.638 2.271 1.00 0.00 H new ATOM 1199 N THR A 78 -12.758 -2.051 4.099 1.00 0.00 N ATOM 1200 CA THR A 78 -13.605 -1.740 5.250 1.00 0.00 C ATOM 1201 C THR A 78 -13.227 -0.402 5.887 1.00 0.00 C ATOM 1202 O THR A 78 -12.476 0.387 5.315 1.00 0.00 O ATOM 1203 CB THR A 78 -13.508 -2.841 6.321 1.00 0.00 C ATOM 1204 OG1 THR A 78 -12.257 -2.742 7.014 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.629 -4.217 5.686 1.00 0.00 C ATOM 0 H THR A 78 -13.247 -2.519 3.336 1.00 0.00 H new ATOM 0 HA THR A 78 -14.627 -1.679 4.876 1.00 0.00 H new ATOM 0 HB THR A 78 -14.327 -2.706 7.028 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.978 -3.632 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.558 -4.982 6.459 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.591 -4.301 5.180 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.825 -4.356 4.963 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.808 -0.114 7.031 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.463 1.097 7.748 1.00 0.00 C ATOM 1215 C GLU A 79 -12.034 0.981 8.277 1.00 0.00 C ATOM 1216 O GLU A 79 -11.238 1.917 8.204 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.440 1.334 8.902 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.868 1.587 8.446 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.814 1.846 9.603 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -17.396 0.870 10.124 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -16.974 3.024 9.985 1.00 0.00 O ATOM 0 H GLU A 79 -14.515 -0.694 7.482 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.529 1.947 7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.426 0.467 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.098 2.187 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.883 2.443 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.222 0.726 7.878 1.00 0.00 H new ATOM 1228 N SER A 80 -11.740 -0.204 8.810 1.00 0.00 N ATOM 1229 CA SER A 80 -10.447 -0.520 9.418 1.00 0.00 C ATOM 1230 C SER A 80 -9.263 -0.641 8.452 1.00 0.00 C ATOM 1231 O SER A 80 -8.255 0.037 8.643 1.00 0.00 O ATOM 1232 CB SER A 80 -10.566 -1.812 10.223 1.00 0.00 C ATOM 1233 OG SER A 80 -9.409 -2.029 11.010 1.00 0.00 O ATOM 0 H SER A 80 -12.400 -0.981 8.832 1.00 0.00 H new ATOM 0 HA SER A 80 -10.218 0.340 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.444 -1.764 10.867 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.713 -2.654 9.546 1.00 0.00 H new ATOM 0 HG SER A 80 -9.674 -2.284 11.918 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.355 -1.487 7.421 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.214 -1.696 6.539 1.00 0.00 C ATOM 1241 C GLU A 81 -7.686 -0.407 5.918 1.00 0.00 C ATOM 1242 O GLU A 81 -6.479 -0.195 5.903 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.538 -2.706 5.442 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.479 -3.792 5.284 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.061 -3.250 5.347 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.579 -2.718 4.326 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.434 -3.357 6.422 1.00 0.00 O ATOM 0 H GLU A 81 -10.189 -2.024 7.184 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.423 -2.094 7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.497 -3.174 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.650 -2.178 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.612 -4.539 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.626 -4.300 4.331 1.00 0.00 H new ATOM 1254 N THR A 82 -8.548 0.473 5.414 1.00 0.00 N ATOM 1255 CA THR A 82 -8.049 1.709 4.828 1.00 0.00 C ATOM 1256 C THR A 82 -7.123 2.425 5.806 1.00 0.00 C ATOM 1257 O THR A 82 -6.280 3.226 5.401 1.00 0.00 O ATOM 1258 CB THR A 82 -9.178 2.660 4.413 1.00 0.00 C ATOM 1259 OG1 THR A 82 -10.088 2.858 5.502 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.925 2.121 3.204 1.00 0.00 C ATOM 0 H THR A 82 -9.561 0.359 5.399 1.00 0.00 H new ATOM 0 HA THR A 82 -7.500 1.429 3.929 1.00 0.00 H new ATOM 0 HB THR A 82 -8.731 3.617 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.803 3.468 5.224 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.721 2.814 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.234 2.012 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.357 1.150 3.446 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.281 2.132 7.097 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.421 2.721 8.106 1.00 0.00 C ATOM 1270 C LYS A 83 -4.979 2.306 7.829 1.00 0.00 C ATOM 1271 O LYS A 83 -4.047 3.084 8.035 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.848 2.274 9.507 1.00 0.00 C ATOM 1273 CG LYS A 83 -6.091 2.976 10.619 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.562 2.525 11.990 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.694 3.107 13.095 1.00 0.00 C ATOM 1276 NZ LYS A 83 -5.639 4.594 13.033 1.00 0.00 N ATOM 0 H LYS A 83 -7.991 1.496 7.460 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.503 3.807 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.915 2.459 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.699 1.198 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.025 2.775 10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.223 4.054 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.597 2.831 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.541 1.437 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.085 2.798 14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.685 2.703 13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.168 4.960 13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.106 4.887 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.605 4.975 12.981 1.00 0.00 H new ATOM 1290 N SER A 84 -4.801 1.064 7.361 1.00 0.00 N ATOM 1291 CA SER A 84 -3.489 0.548 7.028 1.00 0.00 C ATOM 1292 C SER A 84 -2.826 1.473 6.028 1.00 0.00 C ATOM 1293 O SER A 84 -1.718 1.962 6.244 1.00 0.00 O ATOM 1294 CB SER A 84 -3.632 -0.849 6.437 1.00 0.00 C ATOM 1295 OG SER A 84 -3.833 -1.816 7.451 1.00 0.00 O ATOM 0 H SER A 84 -5.562 0.402 7.207 1.00 0.00 H new ATOM 0 HA SER A 84 -2.873 0.493 7.925 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.471 -0.868 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.738 -1.098 5.865 1.00 0.00 H new ATOM 0 HG SER A 84 -4.506 -2.465 7.156 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.527 1.703 4.931 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.067 2.595 3.903 1.00 0.00 C ATOM 1303 C LEU A 85 -2.864 3.980 4.503 1.00 0.00 C ATOM 1304 O LEU A 85 -1.905 4.682 4.183 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.119 2.605 2.805 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.105 1.380 1.896 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.014 1.591 0.697 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.690 1.058 1.455 1.00 0.00 C ATOM 0 H LEU A 85 -4.431 1.272 4.736 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.114 2.275 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.104 2.688 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.977 3.496 2.193 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.485 0.529 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.989 0.706 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.034 1.764 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.671 2.455 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.701 0.181 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.277 1.907 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.073 0.854 2.331 1.00 0.00 H new ATOM 1320 N MET A 86 -3.782 4.351 5.386 1.00 0.00 N ATOM 1321 CA MET A 86 -3.706 5.608 6.087 1.00 0.00 C ATOM 1322 C MET A 86 -2.380 5.691 6.832 1.00 0.00 C ATOM 1323 O MET A 86 -1.667 6.688 6.751 1.00 0.00 O ATOM 1324 CB MET A 86 -4.867 5.708 7.068 1.00 0.00 C ATOM 1325 CG MET A 86 -5.234 7.131 7.366 1.00 0.00 C ATOM 1326 SD MET A 86 -7.009 7.402 7.425 1.00 0.00 S ATOM 1327 CE MET A 86 -7.345 7.468 5.673 1.00 0.00 C ATOM 0 H MET A 86 -4.595 3.785 5.630 1.00 0.00 H new ATOM 0 HA MET A 86 -3.767 6.433 5.377 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.733 5.189 6.658 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.602 5.201 7.996 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.796 7.421 8.321 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.798 7.779 6.606 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.643 8.480 5.398 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.448 7.191 5.120 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.150 6.774 5.430 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.074 4.618 7.559 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.834 4.494 8.324 1.00 0.00 C ATOM 1339 C ASP A 87 0.400 4.319 7.424 1.00 0.00 C ATOM 1340 O ASP A 87 1.529 4.271 7.912 1.00 0.00 O ATOM 1341 CB ASP A 87 -0.929 3.288 9.251 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.096 3.382 10.212 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -2.195 4.400 10.931 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.909 2.435 10.252 1.00 0.00 O ATOM 0 H ASP A 87 -2.684 3.804 7.634 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.713 5.419 8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.028 2.382 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.003 3.197 9.818 1.00 0.00 H new ATOM 1349 N ALA A 88 0.178 4.228 6.116 1.00 0.00 N ATOM 1350 CA ALA A 88 1.249 3.980 5.153 1.00 0.00 C ATOM 1351 C ALA A 88 2.219 5.144 4.958 1.00 0.00 C ATOM 1352 O ALA A 88 3.384 4.923 4.632 1.00 0.00 O ATOM 1353 CB ALA A 88 0.632 3.579 3.836 1.00 0.00 C ATOM 0 H ALA A 88 -0.746 4.324 5.694 1.00 0.00 H new ATOM 0 HA ALA A 88 1.860 3.177 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.420 3.391 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.040 2.674 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.011 4.382 3.476 1.00 0.00 H new ATOM 1359 N ALA A 89 1.763 6.376 5.131 1.00 0.00 N ATOM 1360 CA ALA A 89 2.651 7.519 4.951 1.00 0.00 C ATOM 1361 C ALA A 89 2.160 8.741 5.719 1.00 0.00 C ATOM 1362 O ALA A 89 2.632 9.023 6.820 1.00 0.00 O ATOM 1363 CB ALA A 89 2.793 7.849 3.468 1.00 0.00 C ATOM 0 H ALA A 89 0.804 6.609 5.390 1.00 0.00 H new ATOM 0 HA ALA A 89 3.627 7.246 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.458 8.704 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.208 6.989 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.814 8.090 3.053 1.00 0.00 H new ATOM 1369 N ASP A 90 1.211 9.462 5.137 1.00 0.00 N ATOM 1370 CA ASP A 90 0.667 10.649 5.779 1.00 0.00 C ATOM 1371 C ASP A 90 -0.483 10.243 6.691 1.00 0.00 C ATOM 1372 O ASP A 90 -1.650 10.506 6.402 1.00 0.00 O ATOM 1373 CB ASP A 90 0.217 11.672 4.737 1.00 0.00 C ATOM 1374 CG ASP A 90 0.824 13.038 4.985 1.00 0.00 C ATOM 1375 OD1 ASP A 90 0.558 13.620 6.056 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.570 13.524 4.108 1.00 0.00 O ATOM 0 H ASP A 90 0.804 9.247 4.227 1.00 0.00 H new ATOM 0 HA ASP A 90 1.443 11.123 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.499 11.325 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.870 11.750 4.751 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.132 9.595 7.795 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.121 9.097 8.752 1.00 0.00 C ATOM 1383 C ASN A 91 -1.561 10.183 9.715 1.00 0.00 C ATOM 1384 O ASN A 91 -2.731 10.564 9.763 1.00 0.00 O ATOM 1385 CB ASN A 91 -0.554 7.933 9.584 1.00 0.00 C ATOM 1386 CG ASN A 91 0.658 7.291 8.995 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.612 7.075 7.712 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.622 6.977 9.694 1.00 0.00 N flip ATOM 0 H ASN A 91 0.835 9.400 8.054 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.973 8.758 8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.309 8.300 10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.329 7.176 9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.609 7.168 10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.433 6.526 9.271 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.601 10.670 10.479 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.858 11.678 11.491 1.00 0.00 C ATOM 1397 C ASP A 92 -0.500 13.085 11.032 1.00 0.00 C ATOM 1398 O ASP A 92 -0.198 13.941 11.863 1.00 0.00 O ATOM 1399 CB ASP A 92 -0.072 11.340 12.753 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.670 10.172 13.512 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -1.555 10.407 14.361 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -0.251 9.023 13.258 1.00 0.00 O ATOM 0 H ASP A 92 0.375 10.380 10.416 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.930 11.669 11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.958 11.106 12.484 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.041 12.214 13.403 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.524 13.348 9.729 1.00 0.00 N ATOM 1408 CA GLY A 93 -0.180 14.677 9.263 1.00 0.00 C ATOM 1409 C GLY A 93 -0.904 15.068 7.982 1.00 0.00 C ATOM 1410 O GLY A 93 -0.543 16.058 7.347 1.00 0.00 O ATOM 0 H GLY A 93 -0.771 12.678 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.417 15.401 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.896 14.729 9.095 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.931 14.302 7.602 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.683 14.591 6.380 1.00 0.00 C ATOM 1416 C ASP A 94 -3.798 13.572 6.141 1.00 0.00 C ATOM 1417 O ASP A 94 -4.982 13.894 6.230 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.759 14.626 5.159 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.399 15.316 3.971 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.207 14.668 3.273 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -2.096 16.505 3.739 1.00 0.00 O ATOM 0 H ASP A 94 -2.257 13.485 8.118 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.136 15.573 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.835 15.141 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.489 13.607 4.882 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.398 12.338 5.835 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.356 11.280 5.550 1.00 0.00 C ATOM 1428 C GLY A 95 -4.273 10.808 4.104 1.00 0.00 C ATOM 1429 O GLY A 95 -5.086 9.997 3.664 1.00 0.00 O ATOM 0 H GLY A 95 -2.421 12.051 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.174 10.437 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.364 11.639 5.757 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.281 11.318 3.366 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.094 10.955 1.964 1.00 0.00 C ATOM 1435 C LYS A 96 -1.829 10.103 1.799 1.00 0.00 C ATOM 1436 O LYS A 96 -0.898 10.214 2.591 1.00 0.00 O ATOM 1437 CB LYS A 96 -3.041 12.251 1.109 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.758 12.485 0.316 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.553 12.659 1.226 1.00 0.00 C ATOM 1440 CE LYS A 96 0.300 13.843 0.796 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.453 15.127 0.870 1.00 0.00 N ATOM 0 H LYS A 96 -2.596 11.985 3.721 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.932 10.350 1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.877 12.234 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.195 13.104 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.587 11.643 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.873 13.372 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.888 12.804 2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.049 11.751 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.184 13.903 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.651 13.686 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.191 15.891 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.856 15.347 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.220 15.040 1.567 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.793 9.264 0.765 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.622 8.425 0.521 1.00 0.00 C ATOM 1457 C ILE A 97 -0.127 8.531 -0.915 1.00 0.00 C ATOM 1458 O ILE A 97 -0.634 7.853 -1.797 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.918 6.939 0.773 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.543 6.726 2.143 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.358 6.121 0.645 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.653 7.138 3.292 1.00 0.00 C ATOM 0 H ILE A 97 -2.550 9.148 0.091 1.00 0.00 H new ATOM 0 HA ILE A 97 0.135 8.791 1.214 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.633 6.605 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.475 7.289 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.800 5.673 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.136 5.069 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.766 6.238 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.088 6.468 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.168 6.956 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.269 6.557 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.416 8.199 3.207 1.00 0.00 H new ATOM 1474 N GLY A 98 0.890 9.345 -1.130 1.00 0.00 N ATOM 1475 CA GLY A 98 1.484 9.481 -2.450 1.00 0.00 C ATOM 1476 C GLY A 98 2.810 8.755 -2.521 1.00 0.00 C ATOM 1477 O GLY A 98 3.329 8.333 -1.499 1.00 0.00 O ATOM 0 H GLY A 98 1.323 9.922 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.804 9.081 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.629 10.536 -2.681 1.00 0.00 H new ATOM 1481 N ALA A 99 3.361 8.586 -3.714 1.00 0.00 N ATOM 1482 CA ALA A 99 4.635 7.882 -3.846 1.00 0.00 C ATOM 1483 C ALA A 99 5.690 8.488 -2.918 1.00 0.00 C ATOM 1484 O ALA A 99 6.362 7.775 -2.175 1.00 0.00 O ATOM 1485 CB ALA A 99 5.112 7.922 -5.290 1.00 0.00 C ATOM 0 H ALA A 99 2.959 8.918 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 99 4.484 6.842 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.062 7.394 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.372 7.442 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.244 8.958 -5.601 1.00 0.00 H new ATOM 1491 N ASP A 100 5.817 9.810 -2.965 1.00 0.00 N ATOM 1492 CA ASP A 100 6.768 10.526 -2.117 1.00 0.00 C ATOM 1493 C ASP A 100 6.469 10.270 -0.645 1.00 0.00 C ATOM 1494 O ASP A 100 7.360 9.940 0.136 1.00 0.00 O ATOM 1495 CB ASP A 100 6.714 12.027 -2.406 1.00 0.00 C ATOM 1496 CG ASP A 100 7.788 12.801 -1.667 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.947 12.799 -2.133 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.472 13.406 -0.621 1.00 0.00 O ATOM 0 H ASP A 100 5.272 10.411 -3.583 1.00 0.00 H new ATOM 0 HA ASP A 100 7.770 10.159 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.825 12.191 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.734 12.413 -2.124 1.00 0.00 H new ATOM 1503 N GLU A 101 5.203 10.423 -0.282 1.00 0.00 N ATOM 1504 CA GLU A 101 4.754 10.192 1.085 1.00 0.00 C ATOM 1505 C GLU A 101 5.035 8.746 1.458 1.00 0.00 C ATOM 1506 O GLU A 101 5.593 8.454 2.514 1.00 0.00 O ATOM 1507 CB GLU A 101 3.254 10.482 1.185 1.00 0.00 C ATOM 1508 CG GLU A 101 2.894 11.840 1.775 1.00 0.00 C ATOM 1509 CD GLU A 101 3.911 12.925 1.464 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.884 13.065 2.236 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.735 13.631 0.449 1.00 0.00 O ATOM 0 H GLU A 101 4.462 10.709 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 101 5.286 10.852 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.819 10.410 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.790 9.705 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.920 12.146 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.797 11.743 2.856 1.00 0.00 H new ATOM 1518 N PHE A 102 4.635 7.847 0.567 1.00 0.00 N ATOM 1519 CA PHE A 102 4.863 6.427 0.749 1.00 0.00 C ATOM 1520 C PHE A 102 6.349 6.186 1.008 1.00 0.00 C ATOM 1521 O PHE A 102 6.718 5.443 1.917 1.00 0.00 O ATOM 1522 CB PHE A 102 4.387 5.651 -0.487 1.00 0.00 C ATOM 1523 CG PHE A 102 4.486 4.160 -0.328 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.719 3.553 -0.176 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.349 3.368 -0.322 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.822 2.188 -0.021 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.444 1.997 -0.169 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.684 1.405 -0.018 1.00 0.00 C ATOM 0 H PHE A 102 4.146 8.084 -0.296 1.00 0.00 H new ATOM 0 HA PHE A 102 4.293 6.070 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.352 5.919 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.979 5.957 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.614 4.158 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.378 3.826 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.793 1.730 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.551 1.390 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.763 0.335 0.102 1.00 0.00 H new ATOM 1538 N GLN A 103 7.203 6.821 0.196 1.00 0.00 N ATOM 1539 CA GLN A 103 8.652 6.686 0.353 1.00 0.00 C ATOM 1540 C GLN A 103 9.076 7.063 1.765 1.00 0.00 C ATOM 1541 O GLN A 103 10.071 6.555 2.282 1.00 0.00 O ATOM 1542 CB GLN A 103 9.409 7.578 -0.638 1.00 0.00 C ATOM 1543 CG GLN A 103 9.188 7.238 -2.096 1.00 0.00 C ATOM 1544 CD GLN A 103 10.468 7.288 -2.904 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.407 8.005 -2.558 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.503 6.542 -4.001 1.00 0.00 N ATOM 0 H GLN A 103 6.916 7.429 -0.571 1.00 0.00 H new ATOM 0 HA GLN A 103 8.898 5.643 0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.113 8.614 -0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.475 7.513 -0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.753 6.241 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.466 7.934 -2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.701 5.962 -4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.332 6.548 -4.596 1.00 0.00 H new ATOM 1555 N GLU A 104 8.314 7.958 2.386 1.00 0.00 N ATOM 1556 CA GLU A 104 8.635 8.410 3.735 1.00 0.00 C ATOM 1557 C GLU A 104 8.617 7.241 4.711 1.00 0.00 C ATOM 1558 O GLU A 104 9.446 7.162 5.617 1.00 0.00 O ATOM 1559 CB GLU A 104 7.652 9.489 4.197 1.00 0.00 C ATOM 1560 CG GLU A 104 7.547 10.667 3.244 1.00 0.00 C ATOM 1561 CD GLU A 104 8.863 11.401 3.078 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.720 10.918 2.308 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.036 12.460 3.718 1.00 0.00 O ATOM 0 H GLU A 104 7.478 8.381 1.982 1.00 0.00 H new ATOM 0 HA GLU A 104 9.637 8.838 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.665 9.042 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.959 9.852 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.207 10.313 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.792 11.361 3.612 1.00 0.00 H new ATOM 1570 N MET A 105 7.668 6.338 4.517 1.00 0.00 N ATOM 1571 CA MET A 105 7.531 5.175 5.381 1.00 0.00 C ATOM 1572 C MET A 105 8.763 4.274 5.320 1.00 0.00 C ATOM 1573 O MET A 105 9.386 4.003 6.347 1.00 0.00 O ATOM 1574 CB MET A 105 6.275 4.396 5.010 1.00 0.00 C ATOM 1575 CG MET A 105 5.513 3.874 6.214 1.00 0.00 C ATOM 1576 SD MET A 105 6.301 2.441 6.972 1.00 0.00 S ATOM 1577 CE MET A 105 6.098 1.222 5.675 1.00 0.00 C ATOM 0 H MET A 105 6.979 6.388 3.766 1.00 0.00 H new ATOM 0 HA MET A 105 7.441 5.529 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.618 5.038 4.424 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.552 3.556 4.372 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.425 4.669 6.955 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.501 3.608 5.910 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.674 0.310 6.096 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.428 1.614 4.909 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.068 1.000 5.230 1.00 0.00 H new ATOM 1587 N VAL A 106 9.120 3.804 4.123 1.00 0.00 N ATOM 1588 CA VAL A 106 10.281 2.936 3.970 1.00 0.00 C ATOM 1589 C VAL A 106 11.559 3.651 4.391 1.00 0.00 C ATOM 1590 O VAL A 106 12.518 3.019 4.835 1.00 0.00 O ATOM 1591 CB VAL A 106 10.438 2.433 2.522 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.696 3.587 1.573 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.553 1.397 2.436 1.00 0.00 C ATOM 0 H VAL A 106 8.625 4.009 3.255 1.00 0.00 H new ATOM 0 HA VAL A 106 10.113 2.077 4.620 1.00 0.00 H new ATOM 0 HB VAL A 106 9.505 1.957 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.803 3.206 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.859 4.285 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.611 4.101 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.651 1.052 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.492 1.846 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.314 0.551 3.081 1.00 0.00 H new ATOM 1603 N HIS A 107 11.569 4.972 4.246 1.00 0.00 N ATOM 1604 CA HIS A 107 12.729 5.775 4.611 1.00 0.00 C ATOM 1605 C HIS A 107 12.727 6.074 6.106 1.00 0.00 C ATOM 1606 O HIS A 107 13.558 5.560 6.855 1.00 0.00 O ATOM 1607 CB HIS A 107 12.738 7.079 3.811 1.00 0.00 C ATOM 1608 CG HIS A 107 13.963 7.912 4.032 1.00 0.00 C ATOM 1609 ND1 HIS A 107 13.969 9.054 4.806 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.229 7.766 3.574 1.00 0.00 C ATOM 1611 CE1 HIS A 107 15.184 9.574 4.812 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.967 8.811 4.073 1.00 0.00 N ATOM 0 H HIS A 107 10.784 5.510 3.877 1.00 0.00 H new ATOM 0 HA HIS A 107 13.630 5.209 4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.655 6.844 2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.858 7.665 4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.591 6.974 2.935 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.485 10.471 5.333 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.959 8.971 3.900 1.00 0.00 H new ATOM 1621 N SER A 108 11.786 6.914 6.533 1.00 0.00 N ATOM 1622 CA SER A 108 11.660 7.287 7.937 1.00 0.00 C ATOM 1623 C SER A 108 13.020 7.603 8.557 1.00 0.00 C ATOM 1624 O SER A 108 13.430 8.782 8.513 1.00 0.00 O ATOM 1625 CB SER A 108 10.974 6.166 8.715 1.00 0.00 C ATOM 1626 OG SER A 108 10.820 6.510 10.080 1.00 0.00 O ATOM 1627 OXT SER A 108 13.662 6.670 9.082 1.00 0.00 O ATOM 0 H SER A 108 11.097 7.350 5.921 1.00 0.00 H new ATOM 0 HA SER A 108 11.052 8.190 7.992 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.997 5.960 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.560 5.251 8.632 1.00 0.00 H new ATOM 0 HG SER A 108 10.377 5.776 10.554 1.00 0.00 H new