USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 160 SER OG : rot 180:sc= 0.865 USER MOD Set 1.2: A 163 SER OG : rot 77:sc= 1.02 USER MOD Single : A 80 MET CE :methyl -178:sc= 0 (180deg=-0.00491) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.038 F(o=-0.69,f=-0.038) USER MOD Single : A 84 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=-0.17) USER MOD Single : A 85 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00528 X(o=-0.0053,f=-0.26) USER MOD Single : A 87 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0.026) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= -0.326 K(o=-0.33,f=-1.1) USER MOD Single : A 91 HIS : no HD1:sc=-0.00597 X(o=-0.006,f=-0.31) USER MOD Single : A 92 SER OG : rot -48:sc= 0.402 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.217 K(o=0.22,f=-2.2) USER MOD Single : A 101 MET CE :methyl -159:sc= -0.0404 (180deg=-0.174) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -10:sc= 1.29 USER MOD Single : A 107 CYS SG : rot 180:sc= -0.0869 USER MOD Single : A 113 SER OG : rot -50:sc= 0.616 USER MOD Single : A 116 THR OG1 : rot 31:sc= 0.888 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD Single : A 134 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 138 SER OG : rot -80:sc= 1.08 USER MOD Single : A 145 SER OG : rot 87:sc= 0.141 USER MOD Single : A 146 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 149 TYR OH : rot 7:sc= 1.26 USER MOD Single : A 155 THR OG1 : rot 82:sc= 0.642 USER MOD Single : A 157 ASN : amide:sc=-0.00227 K(o=-0.0023,f=-1.3!) USER MOD Single : A 158 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.032) USER MOD Single : A 164 TYR OH : rot 70:sc= 0.757 USER MOD Single : A 167 LYS NZ :NH3+ -165:sc= -0.0485 (180deg=-0.329) USER MOD Single : A 176 GLN : amide:sc= 0.198 K(o=0.2,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 11.574 10.936 2.177 1.00 25.00 N ATOM 2 CA MET A 80 12.063 12.252 1.665 1.00 25.00 C ATOM 3 C MET A 80 13.532 12.221 1.277 1.00 25.00 C ATOM 4 O MET A 80 14.224 13.200 1.105 1.00 25.00 O ATOM 5 CB MET A 80 11.812 13.341 2.726 1.00 25.00 C ATOM 6 CG MET A 80 10.309 13.460 3.046 1.00 25.00 C ATOM 7 SD MET A 80 9.944 14.824 4.201 1.00 25.00 S ATOM 8 CE MET A 80 10.577 14.141 5.769 1.00 25.00 C ATOM 0 HA MET A 80 11.505 12.480 0.757 1.00 25.00 H new ATOM 0 HB2 MET A 80 12.364 13.103 3.635 1.00 25.00 H new ATOM 0 HB3 MET A 80 12.188 14.299 2.366 1.00 25.00 H new ATOM 0 HG2 MET A 80 9.755 13.615 2.120 1.00 25.00 H new ATOM 0 HG3 MET A 80 9.957 12.522 3.475 1.00 25.00 H new ATOM 0 HE1 MET A 80 10.391 14.850 6.576 1.00 25.00 H new ATOM 0 HE2 MET A 80 10.070 13.201 5.987 1.00 25.00 H new ATOM 0 HE3 MET A 80 11.649 13.964 5.682 1.00 25.00 H new ATOM 18 N GLY A 81 14.012 10.983 1.151 1.00 25.00 N ATOM 19 CA GLY A 81 15.383 10.708 0.756 1.00 25.00 C ATOM 20 C GLY A 81 15.535 10.790 -0.750 1.00 25.00 C ATOM 21 O GLY A 81 14.561 10.644 -1.483 1.00 25.00 O ATOM 0 H GLY A 81 13.456 10.145 1.322 1.00 25.00 H new ATOM 0 HA2 GLY A 81 16.054 11.422 1.233 1.00 25.00 H new ATOM 0 HA3 GLY A 81 15.674 9.716 1.102 1.00 25.00 H new ATOM 25 N HIS A 82 16.757 10.996 -1.217 1.00 25.00 N ATOM 26 CA HIS A 82 17.037 11.064 -2.648 1.00 25.00 C ATOM 27 C HIS A 82 18.380 10.399 -2.910 1.00 25.00 C ATOM 28 O HIS A 82 19.324 10.604 -2.145 1.00 25.00 O ATOM 29 CB HIS A 82 17.067 12.520 -3.114 1.00 25.00 C ATOM 30 CG HIS A 82 17.301 12.670 -4.585 1.00 25.00 C ATOM 31 ND1 HIS A 82 18.385 13.306 -5.136 1.00 25.00 N ATOM 32 CD2 HIS A 82 16.565 12.241 -5.648 1.00 25.00 C ATOM 33 CE1 HIS A 82 18.277 13.241 -6.459 1.00 25.00 C ATOM 34 NE2 HIS A 82 17.190 12.594 -6.828 1.00 25.00 N ATOM 0 H HIS A 82 17.577 11.120 -0.623 1.00 25.00 H new ATOM 0 HA HIS A 82 16.254 10.548 -3.203 1.00 25.00 H new ATOM 0 HB2 HIS A 82 16.122 12.996 -2.854 1.00 25.00 H new ATOM 0 HB3 HIS A 82 17.851 13.051 -2.573 1.00 25.00 H new ATOM 0 HD2 HIS A 82 15.631 11.704 -5.578 1.00 25.00 H new ATOM 0 HE1 HIS A 82 18.992 13.666 -7.147 1.00 25.00 H new ATOM 0 HE2 HIS A 82 16.878 12.397 -7.779 1.00 25.00 H new ATOM 42 N HIS A 83 18.433 9.599 -3.976 1.00 25.00 N ATOM 43 CA HIS A 83 19.607 8.792 -4.357 1.00 25.00 C ATOM 44 C HIS A 83 19.890 7.706 -3.300 1.00 25.00 C ATOM 45 O HIS A 83 19.260 7.674 -2.246 1.00 25.00 O ATOM 46 CB HIS A 83 20.835 9.689 -4.602 1.00 25.00 C ATOM 47 CG HIS A 83 21.820 9.110 -5.568 1.00 25.00 C ATOM 48 ND1 HIS A 83 22.976 8.424 -5.351 1.00 25.00 N flip ATOM 49 CD2 HIS A 83 21.712 9.201 -6.934 1.00 25.00 C flip ATOM 50 CE1 HIS A 83 23.562 8.089 -6.554 1.00 25.00 C flip ATOM 51 NE2 HIS A 83 22.761 8.586 -7.475 1.00 25.00 N flip ATOM 0 H HIS A 83 17.647 9.487 -4.616 1.00 25.00 H new ATOM 0 HA HIS A 83 19.386 8.284 -5.296 1.00 25.00 H new ATOM 0 HB2 HIS A 83 20.499 10.656 -4.976 1.00 25.00 H new ATOM 0 HB3 HIS A 83 21.336 9.871 -3.651 1.00 25.00 H new ATOM 0 HD2 HIS A 83 20.914 9.687 -7.475 1.00 25.00 H new ATOM 0 HE1 HIS A 83 24.478 7.539 -6.708 1.00 25.00 H new ATOM 0 HE2 HIS A 83 22.925 8.509 -8.479 1.00 25.00 H new ATOM 59 N HIS A 84 20.786 6.773 -3.604 1.00 25.00 N ATOM 60 CA HIS A 84 21.071 5.672 -2.687 1.00 25.00 C ATOM 61 C HIS A 84 22.490 5.137 -2.864 1.00 25.00 C ATOM 62 O HIS A 84 22.928 4.903 -3.980 1.00 25.00 O ATOM 63 CB HIS A 84 20.069 4.537 -2.934 1.00 25.00 C ATOM 64 CG HIS A 84 20.242 3.373 -2.008 1.00 25.00 C ATOM 65 ND1 HIS A 84 20.871 2.202 -2.347 1.00 25.00 N ATOM 66 CD2 HIS A 84 19.854 3.204 -0.715 1.00 25.00 C ATOM 67 CE1 HIS A 84 20.847 1.396 -1.291 1.00 25.00 C ATOM 68 NE2 HIS A 84 20.246 1.959 -0.264 1.00 25.00 N ATOM 0 H HIS A 84 21.324 6.755 -4.470 1.00 25.00 H new ATOM 0 HA HIS A 84 20.980 6.051 -1.669 1.00 25.00 H new ATOM 0 HB2 HIS A 84 19.057 4.928 -2.828 1.00 25.00 H new ATOM 0 HB3 HIS A 84 20.171 4.191 -3.962 1.00 25.00 H new ATOM 0 HD2 HIS A 84 19.319 3.935 -0.128 1.00 25.00 H new ATOM 0 HE1 HIS A 84 21.269 0.402 -1.277 1.00 25.00 H new ATOM 0 HE2 HIS A 84 20.101 1.562 0.664 1.00 25.00 H new ATOM 76 N HIS A 85 23.174 4.935 -1.740 1.00 25.00 N ATOM 77 CA HIS A 85 24.511 4.318 -1.689 1.00 25.00 C ATOM 78 C HIS A 85 25.539 4.840 -2.712 1.00 25.00 C ATOM 79 O HIS A 85 26.253 4.065 -3.344 1.00 25.00 O ATOM 80 CB HIS A 85 24.377 2.793 -1.801 1.00 25.00 C ATOM 81 CG HIS A 85 25.478 2.042 -1.116 1.00 25.00 C ATOM 82 ND1 HIS A 85 25.419 1.596 0.182 1.00 25.00 N ATOM 83 CD2 HIS A 85 26.701 1.650 -1.568 1.00 25.00 C ATOM 84 CE1 HIS A 85 26.565 0.981 0.462 1.00 25.00 C ATOM 85 NE2 HIS A 85 27.386 0.989 -0.567 1.00 25.00 N ATOM 0 H HIS A 85 22.816 5.197 -0.822 1.00 25.00 H new ATOM 0 HA HIS A 85 24.921 4.614 -0.723 1.00 25.00 H new ATOM 0 HB2 HIS A 85 23.421 2.488 -1.375 1.00 25.00 H new ATOM 0 HB3 HIS A 85 24.360 2.515 -2.855 1.00 25.00 H new ATOM 0 HD2 HIS A 85 27.080 1.830 -2.563 1.00 25.00 H new ATOM 0 HE1 HIS A 85 26.794 0.530 1.416 1.00 25.00 H new ATOM 0 HE2 HIS A 85 28.325 0.593 -0.615 1.00 25.00 H new ATOM 93 N HIS A 86 25.656 6.152 -2.840 1.00 25.00 N ATOM 94 CA HIS A 86 26.706 6.718 -3.680 1.00 25.00 C ATOM 95 C HIS A 86 28.029 6.501 -2.941 1.00 25.00 C ATOM 96 O HIS A 86 28.221 7.030 -1.847 1.00 25.00 O ATOM 97 CB HIS A 86 26.471 8.208 -3.923 1.00 25.00 C ATOM 98 CG HIS A 86 27.411 8.804 -4.923 1.00 25.00 C ATOM 99 ND1 HIS A 86 28.709 9.157 -4.653 1.00 25.00 N ATOM 100 CD2 HIS A 86 27.230 9.104 -6.239 1.00 25.00 C ATOM 101 CE1 HIS A 86 29.251 9.633 -5.770 1.00 25.00 C ATOM 102 NE2 HIS A 86 28.391 9.631 -6.768 1.00 25.00 N ATOM 0 H HIS A 86 25.052 6.836 -2.384 1.00 25.00 H new ATOM 0 HA HIS A 86 26.716 6.234 -4.657 1.00 25.00 H new ATOM 0 HB2 HIS A 86 25.447 8.355 -4.266 1.00 25.00 H new ATOM 0 HB3 HIS A 86 26.571 8.743 -2.978 1.00 25.00 H new ATOM 0 HD2 HIS A 86 26.313 8.952 -6.788 1.00 25.00 H new ATOM 0 HE1 HIS A 86 30.271 9.979 -5.849 1.00 25.00 H new ATOM 0 HE2 HIS A 86 28.549 9.950 -7.724 1.00 25.00 H new ATOM 110 N HIS A 87 28.912 5.691 -3.506 1.00 25.00 N ATOM 111 CA HIS A 87 30.154 5.315 -2.833 1.00 25.00 C ATOM 112 C HIS A 87 31.359 5.562 -3.734 1.00 25.00 C ATOM 113 O HIS A 87 31.267 5.427 -4.952 1.00 25.00 O ATOM 114 CB HIS A 87 30.086 3.837 -2.444 1.00 25.00 C ATOM 115 CG HIS A 87 31.019 3.463 -1.336 1.00 25.00 C ATOM 116 ND1 HIS A 87 30.723 3.591 -0.003 1.00 25.00 N ATOM 117 CD2 HIS A 87 32.282 2.950 -1.369 1.00 25.00 C ATOM 118 CE1 HIS A 87 31.771 3.175 0.699 1.00 25.00 C ATOM 119 NE2 HIS A 87 32.755 2.778 -0.083 1.00 25.00 N ATOM 0 H HIS A 87 28.794 5.279 -4.431 1.00 25.00 H new ATOM 0 HA HIS A 87 30.270 5.928 -1.939 1.00 25.00 H new ATOM 0 HB2 HIS A 87 29.066 3.596 -2.145 1.00 25.00 H new ATOM 0 HB3 HIS A 87 30.314 3.229 -3.320 1.00 25.00 H new ATOM 0 HD2 HIS A 87 32.831 2.713 -2.268 1.00 25.00 H new ATOM 0 HE1 HIS A 87 31.812 3.163 1.778 1.00 25.00 H new ATOM 0 HE2 HIS A 87 33.668 2.421 0.200 1.00 25.00 H new ATOM 127 N HIS A 88 32.483 5.931 -3.138 1.00 25.00 N ATOM 128 CA HIS A 88 33.708 6.163 -3.895 1.00 25.00 C ATOM 129 C HIS A 88 34.264 4.824 -4.373 1.00 25.00 C ATOM 130 O HIS A 88 34.240 3.845 -3.643 1.00 25.00 O ATOM 131 CB HIS A 88 34.748 6.863 -3.015 1.00 25.00 C ATOM 132 CG HIS A 88 34.337 8.237 -2.585 1.00 25.00 C ATOM 133 ND1 HIS A 88 34.404 9.352 -3.385 1.00 25.00 N ATOM 134 CD2 HIS A 88 33.838 8.682 -1.399 1.00 25.00 C ATOM 135 CE1 HIS A 88 33.957 10.391 -2.685 1.00 25.00 C ATOM 136 NE2 HIS A 88 33.591 10.038 -1.469 1.00 25.00 N ATOM 0 H HIS A 88 32.574 6.077 -2.133 1.00 25.00 H new ATOM 0 HA HIS A 88 33.485 6.799 -4.752 1.00 25.00 H new ATOM 0 HB2 HIS A 88 34.933 6.254 -2.130 1.00 25.00 H new ATOM 0 HB3 HIS A 88 35.690 6.928 -3.560 1.00 25.00 H new ATOM 0 HD2 HIS A 88 33.661 8.064 -0.531 1.00 25.00 H new ATOM 0 HE1 HIS A 88 33.901 11.400 -3.066 1.00 25.00 H new ATOM 0 HE2 HIS A 88 33.208 10.637 -0.738 1.00 25.00 H new ATOM 144 N HIS A 89 34.782 4.790 -5.591 1.00 25.00 N ATOM 145 CA HIS A 89 35.335 3.561 -6.164 1.00 25.00 C ATOM 146 C HIS A 89 36.851 3.701 -6.333 1.00 25.00 C ATOM 147 O HIS A 89 37.421 3.360 -7.366 1.00 25.00 O ATOM 148 CB HIS A 89 34.642 3.253 -7.496 1.00 25.00 C ATOM 149 CG HIS A 89 34.730 1.815 -7.898 1.00 25.00 C ATOM 150 ND1 HIS A 89 33.907 0.826 -7.419 1.00 25.00 N ATOM 151 CD2 HIS A 89 35.580 1.183 -8.753 1.00 25.00 C ATOM 152 CE1 HIS A 89 34.271 -0.325 -7.977 1.00 25.00 C ATOM 153 NE2 HIS A 89 35.282 -0.166 -8.805 1.00 25.00 N ATOM 0 H HIS A 89 34.833 5.600 -6.208 1.00 25.00 H new ATOM 0 HA HIS A 89 35.152 2.724 -5.490 1.00 25.00 H new ATOM 0 HB2 HIS A 89 33.592 3.538 -7.424 1.00 25.00 H new ATOM 0 HB3 HIS A 89 35.087 3.868 -8.278 1.00 25.00 H new ATOM 0 HD2 HIS A 89 36.371 1.665 -9.309 1.00 25.00 H new ATOM 0 HE1 HIS A 89 33.796 -1.274 -7.776 1.00 25.00 H new ATOM 0 HE2 HIS A 89 35.745 -0.883 -9.364 1.00 25.00 H new ATOM 161 N HIS A 90 37.492 4.266 -5.321 1.00 25.00 N ATOM 162 CA HIS A 90 38.933 4.493 -5.347 1.00 25.00 C ATOM 163 C HIS A 90 39.425 4.520 -3.905 1.00 25.00 C ATOM 164 O HIS A 90 38.708 4.999 -3.029 1.00 25.00 O ATOM 165 CB HIS A 90 39.233 5.821 -6.046 1.00 0.00 C ATOM 166 CG HIS A 90 40.609 5.894 -6.627 1.00 25.00 C ATOM 167 ND1 HIS A 90 41.059 5.089 -7.643 1.00 25.00 N ATOM 168 CD2 HIS A 90 41.655 6.715 -6.337 1.00 25.00 C ATOM 169 CE1 HIS A 90 42.312 5.430 -7.919 1.00 25.00 C ATOM 170 NE2 HIS A 90 42.725 6.423 -7.157 1.00 25.00 N ATOM 0 H HIS A 90 37.035 4.579 -4.464 1.00 25.00 H new ATOM 0 HA HIS A 90 39.441 3.701 -5.897 1.00 25.00 H new ATOM 0 HB2 HIS A 90 38.503 5.977 -6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 90 39.105 6.635 -5.332 1.00 0.00 H new ATOM 0 HD1 HIS A 90 40.523 4.355 -8.106 1.00 25.00 H new ATOM 0 HD2 HIS A 90 41.648 7.482 -5.577 1.00 25.00 H new ATOM 0 HE1 HIS A 90 42.918 4.953 -8.675 1.00 25.00 H new ATOM 178 N HIS A 91 40.613 3.989 -3.651 1.00 25.00 N ATOM 179 CA HIS A 91 41.147 3.898 -2.291 1.00 25.00 C ATOM 180 C HIS A 91 42.669 3.961 -2.323 1.00 25.00 C ATOM 181 O HIS A 91 43.287 3.279 -3.124 1.00 25.00 O ATOM 182 CB HIS A 91 40.702 2.573 -1.661 1.00 25.00 C ATOM 183 CG HIS A 91 41.264 2.336 -0.294 1.00 25.00 C ATOM 184 ND1 HIS A 91 42.455 1.701 -0.047 1.00 25.00 N ATOM 185 CD2 HIS A 91 40.777 2.662 0.935 1.00 25.00 C ATOM 186 CE1 HIS A 91 42.647 1.670 1.268 1.00 25.00 C ATOM 187 NE2 HIS A 91 41.655 2.247 1.916 1.00 25.00 N ATOM 0 H HIS A 91 41.231 3.612 -4.370 1.00 25.00 H new ATOM 0 HA HIS A 91 40.770 4.732 -1.700 1.00 25.00 H new ATOM 0 HB2 HIS A 91 39.614 2.556 -1.604 1.00 25.00 H new ATOM 0 HB3 HIS A 91 41.000 1.753 -2.314 1.00 25.00 H new ATOM 0 HD2 HIS A 91 39.841 3.170 1.116 1.00 25.00 H new ATOM 0 HE1 HIS A 91 43.508 1.227 1.746 1.00 25.00 H new ATOM 0 HE2 HIS A 91 41.557 2.362 2.925 1.00 25.00 H new ATOM 195 N SER A 92 43.246 4.777 -1.443 1.00 25.00 N ATOM 196 CA SER A 92 44.708 4.945 -1.313 1.00 25.00 C ATOM 197 C SER A 92 45.421 5.315 -2.623 1.00 25.00 C ATOM 198 O SER A 92 46.595 4.986 -2.808 1.00 25.00 O ATOM 199 CB SER A 92 45.336 3.682 -0.713 1.00 25.00 C ATOM 200 OG SER A 92 46.645 3.939 -0.237 1.00 25.00 O ATOM 0 H SER A 92 42.713 5.350 -0.789 1.00 25.00 H new ATOM 0 HA SER A 92 44.849 5.794 -0.644 1.00 25.00 H new ATOM 0 HB2 SER A 92 44.714 3.316 0.104 1.00 25.00 H new ATOM 0 HB3 SER A 92 45.368 2.895 -1.466 1.00 25.00 H new ATOM 0 HG SER A 92 47.155 4.417 -0.924 1.00 25.00 H new ATOM 206 N SER A 93 44.704 6.022 -3.493 1.00 25.00 N ATOM 207 CA SER A 93 45.200 6.445 -4.812 1.00 25.00 C ATOM 208 C SER A 93 45.588 5.263 -5.717 1.00 25.00 C ATOM 209 O SER A 93 45.460 4.102 -5.343 1.00 25.00 O ATOM 210 CB SER A 93 46.374 7.421 -4.659 1.00 25.00 C ATOM 211 OG SER A 93 46.003 8.509 -3.827 1.00 25.00 O ATOM 0 H SER A 93 43.748 6.324 -3.305 1.00 25.00 H new ATOM 0 HA SER A 93 44.374 6.955 -5.307 1.00 25.00 H new ATOM 0 HB2 SER A 93 47.233 6.904 -4.232 1.00 25.00 H new ATOM 0 HB3 SER A 93 46.679 7.790 -5.638 1.00 25.00 H new ATOM 0 HG SER A 93 46.761 9.124 -3.735 1.00 25.00 H new ATOM 217 N GLY A 94 46.030 5.570 -6.927 1.00 25.00 N ATOM 218 CA GLY A 94 46.455 4.539 -7.858 1.00 25.00 C ATOM 219 C GLY A 94 47.954 4.615 -8.031 1.00 25.00 C ATOM 220 O GLY A 94 48.537 5.689 -7.885 1.00 25.00 O ATOM 0 H GLY A 94 46.103 6.522 -7.285 1.00 25.00 H new ATOM 0 HA2 GLY A 94 46.169 3.555 -7.486 1.00 25.00 H new ATOM 0 HA3 GLY A 94 45.958 4.673 -8.819 1.00 25.00 H new ATOM 224 N HIS A 95 48.584 3.494 -8.338 1.00 25.00 N ATOM 225 CA HIS A 95 50.022 3.477 -8.566 1.00 25.00 C ATOM 226 C HIS A 95 50.307 4.089 -9.933 1.00 25.00 C ATOM 227 O HIS A 95 49.465 4.042 -10.830 1.00 25.00 O ATOM 228 CB HIS A 95 50.557 2.045 -8.520 1.00 25.00 C ATOM 229 CG HIS A 95 50.155 1.295 -7.290 1.00 25.00 C ATOM 230 ND1 HIS A 95 50.501 1.656 -6.011 1.00 25.00 N ATOM 231 CD2 HIS A 95 49.405 0.168 -7.147 1.00 25.00 C ATOM 232 CE1 HIS A 95 49.965 0.775 -5.171 1.00 25.00 C ATOM 233 NE2 HIS A 95 49.287 -0.157 -5.811 1.00 25.00 N ATOM 0 H HIS A 95 48.127 2.587 -8.435 1.00 25.00 H new ATOM 0 HA HIS A 95 50.518 4.053 -7.785 1.00 25.00 H new ATOM 0 HB2 HIS A 95 50.201 1.505 -9.397 1.00 25.00 H new ATOM 0 HB3 HIS A 95 51.645 2.070 -8.581 1.00 25.00 H new ATOM 0 HD2 HIS A 95 48.966 -0.390 -7.961 1.00 25.00 H new ATOM 0 HE1 HIS A 95 50.072 0.818 -4.097 1.00 25.00 H new ATOM 0 HE2 HIS A 95 48.784 -0.947 -5.406 1.00 25.00 H new ATOM 241 N ILE A 96 51.501 4.635 -10.094 1.00 25.00 N ATOM 242 CA ILE A 96 51.926 5.223 -11.355 1.00 25.00 C ATOM 243 C ILE A 96 53.424 4.951 -11.433 1.00 25.00 C ATOM 244 O ILE A 96 54.061 4.724 -10.404 1.00 25.00 O ATOM 245 CB ILE A 96 51.592 6.759 -11.405 1.00 25.00 C ATOM 246 CG1 ILE A 96 51.705 7.285 -12.849 1.00 25.00 C ATOM 247 CG2 ILE A 96 52.499 7.566 -10.432 1.00 25.00 C ATOM 248 CD1 ILE A 96 51.098 8.680 -13.066 1.00 25.00 C ATOM 0 H ILE A 96 52.203 4.683 -9.355 1.00 25.00 H new ATOM 0 HA ILE A 96 51.404 4.793 -12.210 1.00 25.00 H new ATOM 0 HB ILE A 96 50.563 6.897 -11.073 1.00 25.00 H new ATOM 0 HG12 ILE A 96 52.757 7.312 -13.131 1.00 25.00 H new ATOM 0 HG13 ILE A 96 51.213 6.580 -13.519 1.00 25.00 H new ATOM 0 HG21 ILE A 96 52.244 8.624 -10.490 1.00 25.00 H new ATOM 0 HG22 ILE A 96 52.346 7.211 -9.413 1.00 25.00 H new ATOM 0 HG23 ILE A 96 53.544 7.429 -10.711 1.00 25.00 H new ATOM 0 HD11 ILE A 96 51.221 8.972 -14.109 1.00 25.00 H new ATOM 0 HD12 ILE A 96 50.037 8.658 -12.818 1.00 25.00 H new ATOM 0 HD13 ILE A 96 51.605 9.401 -12.425 1.00 25.00 H new ATOM 260 N GLU A 97 53.975 4.931 -12.634 1.00 25.00 N ATOM 261 CA GLU A 97 55.402 4.707 -12.809 1.00 25.00 C ATOM 262 C GLU A 97 56.153 5.959 -12.341 1.00 25.00 C ATOM 263 O GLU A 97 55.698 7.081 -12.565 1.00 25.00 O ATOM 264 CB GLU A 97 55.701 4.401 -14.282 1.00 25.00 C ATOM 265 CG GLU A 97 57.164 4.106 -14.579 1.00 25.00 C ATOM 266 CD GLU A 97 57.705 2.928 -13.777 1.00 25.00 C ATOM 267 OE1 GLU A 97 58.155 3.146 -12.632 1.00 25.00 O ATOM 268 OE2 GLU A 97 57.813 1.817 -14.340 1.00 25.00 O1- ATOM 0 H GLU A 97 53.458 5.067 -13.503 1.00 25.00 H new ATOM 0 HA GLU A 97 55.730 3.853 -12.217 1.00 25.00 H new ATOM 0 HB2 GLU A 97 55.100 3.546 -14.592 1.00 25.00 H new ATOM 0 HB3 GLU A 97 55.384 5.250 -14.888 1.00 25.00 H new ATOM 0 HG2 GLU A 97 57.279 3.898 -15.643 1.00 25.00 H new ATOM 0 HG3 GLU A 97 57.760 4.992 -14.361 1.00 25.00 H new ATOM 275 N GLY A 98 57.282 5.757 -11.674 1.00 25.00 N ATOM 276 CA GLY A 98 58.062 6.867 -11.144 1.00 25.00 C ATOM 277 C GLY A 98 59.351 7.096 -11.908 1.00 25.00 C ATOM 278 O GLY A 98 59.421 7.966 -12.763 1.00 25.00 O ATOM 0 H GLY A 98 57.678 4.836 -11.487 1.00 25.00 H new ATOM 0 HA2 GLY A 98 57.460 7.775 -11.175 1.00 25.00 H new ATOM 0 HA3 GLY A 98 58.295 6.674 -10.097 1.00 25.00 H new ATOM 282 N ARG A 99 60.373 6.308 -11.578 1.00 25.00 N ATOM 283 CA ARG A 99 61.711 6.398 -12.206 1.00 25.00 C ATOM 284 C ARG A 99 62.297 7.812 -12.158 1.00 25.00 C ATOM 285 O ARG A 99 62.821 8.314 -13.142 1.00 25.00 O ATOM 286 CB ARG A 99 61.675 5.888 -13.657 1.00 25.00 C ATOM 287 CG ARG A 99 61.080 4.501 -13.778 1.00 25.00 C ATOM 288 CD ARG A 99 61.257 3.925 -15.169 1.00 25.00 C ATOM 289 NE ARG A 99 60.423 2.724 -15.331 1.00 25.00 N ATOM 290 CZ ARG A 99 60.427 1.911 -16.377 1.00 25.00 C ATOM 291 NH1 ARG A 99 61.235 2.077 -17.396 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 59.593 0.913 -16.390 1.00 25.00 N ATOM 0 H ARG A 99 60.306 5.582 -10.865 1.00 25.00 H new ATOM 0 HA ARG A 99 62.368 5.757 -11.618 1.00 25.00 H new ATOM 0 HB2 ARG A 99 61.095 6.581 -14.266 1.00 25.00 H new ATOM 0 HB3 ARG A 99 62.688 5.880 -14.060 1.00 25.00 H new ATOM 0 HG2 ARG A 99 61.550 3.840 -13.050 1.00 25.00 H new ATOM 0 HG3 ARG A 99 60.018 4.540 -13.534 1.00 25.00 H new ATOM 0 HD2 ARG A 99 60.984 4.670 -15.916 1.00 25.00 H new ATOM 0 HD3 ARG A 99 62.305 3.675 -15.336 1.00 25.00 H new ATOM 0 HE ARG A 99 59.784 2.497 -14.569 1.00 25.00 H new ATOM 0 HH11 ARG A 99 61.893 2.856 -17.403 1.00 25.00 H new ATOM 0 HH12 ARG A 99 61.205 1.427 -18.182 1.00 25.00 H new ATOM 0 HH21 ARG A 99 58.956 0.771 -15.606 1.00 25.00 H new ATOM 0 HH22 ARG A 99 59.576 0.273 -17.184 1.00 25.00 H new ATOM 306 N HIS A 100 62.226 8.428 -10.990 1.00 25.00 N ATOM 307 CA HIS A 100 62.804 9.753 -10.763 1.00 25.00 C ATOM 308 C HIS A 100 63.766 9.601 -9.601 1.00 25.00 C ATOM 309 O HIS A 100 63.702 8.601 -8.888 1.00 25.00 O ATOM 310 CB HIS A 100 61.709 10.772 -10.441 1.00 25.00 C ATOM 311 CG HIS A 100 60.689 10.920 -11.526 1.00 25.00 C ATOM 312 ND1 HIS A 100 61.001 10.947 -12.890 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.338 11.053 -11.482 1.00 25.00 C ATOM 314 CE1 HIS A 100 59.882 11.098 -13.582 1.00 25.00 C ATOM 315 NE2 HIS A 100 58.871 11.159 -12.756 1.00 25.00 N ATOM 0 H HIS A 100 61.768 8.029 -10.170 1.00 25.00 H new ATOM 0 HA HIS A 100 63.319 10.120 -11.651 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.207 10.474 -9.520 1.00 25.00 H new ATOM 0 HB3 HIS A 100 62.171 11.741 -10.253 1.00 25.00 H new ATOM 0 HD1 HIS A 100 61.937 10.864 -13.286 1.00 25.00 H new ATOM 0 HD2 HIS A 100 58.735 11.072 -10.586 1.00 25.00 H new ATOM 0 HE1 HIS A 100 59.815 11.161 -14.658 1.00 25.00 H new ATOM 323 N MET A 101 64.656 10.561 -9.423 1.00 25.00 N ATOM 324 CA MET A 101 65.683 10.492 -8.385 1.00 25.00 C ATOM 325 C MET A 101 65.389 11.526 -7.308 1.00 25.00 C ATOM 326 O MET A 101 64.608 12.444 -7.524 1.00 25.00 O ATOM 327 CB MET A 101 67.067 10.721 -9.010 1.00 25.00 C ATOM 328 CG MET A 101 67.255 12.078 -9.663 1.00 25.00 C ATOM 329 SD MET A 101 68.812 12.128 -10.558 1.00 25.00 S ATOM 330 CE MET A 101 68.932 13.859 -10.948 1.00 25.00 C ATOM 0 H MET A 101 64.692 11.409 -9.988 1.00 25.00 H new ATOM 0 HA MET A 101 65.677 9.505 -7.924 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.824 10.598 -8.236 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.246 9.947 -9.756 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.429 12.279 -10.345 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.239 12.860 -8.904 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.611 13.996 -11.789 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.946 14.242 -11.212 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.312 14.401 -10.082 1.00 25.00 H new ATOM 340 N LEU A 102 65.994 11.367 -6.142 1.00 25.00 N ATOM 341 CA LEU A 102 65.777 12.290 -5.030 1.00 25.00 C ATOM 342 C LEU A 102 67.123 12.830 -4.587 1.00 25.00 C ATOM 343 O LEU A 102 68.074 12.073 -4.467 1.00 25.00 O ATOM 344 CB LEU A 102 65.075 11.566 -3.878 1.00 25.00 C ATOM 345 CG LEU A 102 64.771 12.433 -2.642 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.283 12.385 -2.307 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.599 11.953 -1.452 1.00 25.00 C ATOM 0 H LEU A 102 66.642 10.606 -5.937 1.00 25.00 H new ATOM 0 HA LEU A 102 65.139 13.116 -5.343 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.138 11.151 -4.249 1.00 25.00 H new ATOM 0 HB3 LEU A 102 65.695 10.725 -3.568 1.00 25.00 H new ATOM 0 HG LEU A 102 65.039 13.466 -2.865 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.087 13.003 -1.431 1.00 25.00 H new ATOM 0 HD12 LEU A 102 62.707 12.761 -3.153 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.990 11.356 -2.098 1.00 25.00 H new ATOM 0 HD21 LEU A 102 65.378 12.571 -0.582 1.00 25.00 H new ATOM 0 HD22 LEU A 102 65.351 10.915 -1.232 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.659 12.030 -1.692 1.00 25.00 H new ATOM 359 N LEU A 103 67.203 14.131 -4.371 1.00 25.00 N ATOM 360 CA LEU A 103 68.446 14.786 -3.969 1.00 25.00 C ATOM 361 C LEU A 103 68.207 15.517 -2.671 1.00 25.00 C ATOM 362 O LEU A 103 67.089 15.956 -2.407 1.00 25.00 O ATOM 363 CB LEU A 103 68.883 15.797 -5.030 1.00 25.00 C ATOM 364 CG LEU A 103 69.103 15.245 -6.443 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.439 16.404 -7.372 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.206 14.213 -6.484 1.00 25.00 C ATOM 0 H LEU A 103 66.412 14.767 -4.468 1.00 25.00 H new ATOM 0 HA LEU A 103 69.226 14.034 -3.852 1.00 25.00 H new ATOM 0 HB2 LEU A 103 68.131 16.584 -5.083 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.810 16.264 -4.697 1.00 25.00 H new ATOM 0 HG LEU A 103 68.188 14.748 -6.766 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.598 16.026 -8.382 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.615 17.117 -7.377 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.345 16.899 -7.023 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.327 13.850 -7.505 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.139 14.664 -6.147 1.00 25.00 H new ATOM 0 HD23 LEU A 103 69.949 13.380 -5.830 1.00 25.00 H new ATOM 378 N THR A 104 69.251 15.684 -1.880 1.00 25.00 N ATOM 379 CA THR A 104 69.150 16.418 -0.623 1.00 25.00 C ATOM 380 C THR A 104 69.745 17.799 -0.843 1.00 25.00 C ATOM 381 O THR A 104 70.744 17.939 -1.536 1.00 25.00 O ATOM 382 CB THR A 104 69.916 15.695 0.501 1.00 25.00 C ATOM 383 OG1 THR A 104 69.569 14.308 0.490 1.00 25.00 O ATOM 384 CG2 THR A 104 69.561 16.261 1.872 1.00 25.00 C ATOM 0 H THR A 104 70.183 15.322 -2.083 1.00 25.00 H new ATOM 0 HA THR A 104 68.105 16.487 -0.321 1.00 25.00 H new ATOM 0 HB THR A 104 70.982 15.837 0.324 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.055 13.843 1.203 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.119 15.728 2.641 1.00 25.00 H new ATOM 0 HG22 THR A 104 69.817 17.320 1.906 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.492 16.140 2.050 1.00 25.00 H new ATOM 392 N VAL A 105 69.127 18.821 -0.279 1.00 25.00 N ATOM 393 CA VAL A 105 69.615 20.187 -0.413 1.00 25.00 C ATOM 394 C VAL A 105 69.801 20.767 0.981 1.00 25.00 C ATOM 395 O VAL A 105 68.910 20.677 1.821 1.00 25.00 O ATOM 396 CB VAL A 105 68.618 21.063 -1.209 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.178 22.477 -1.399 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.317 20.433 -2.585 1.00 25.00 C ATOM 0 H VAL A 105 68.279 18.732 0.281 1.00 25.00 H new ATOM 0 HA VAL A 105 70.559 20.176 -0.957 1.00 25.00 H new ATOM 0 HB VAL A 105 67.691 21.122 -0.638 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.464 23.079 -1.961 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.350 22.934 -0.425 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.119 22.425 -1.947 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.614 21.065 -3.128 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.242 20.345 -3.155 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.882 19.443 -2.445 1.00 25.00 H new ATOM 408 N TYR A 106 70.962 21.351 1.230 1.00 25.00 N ATOM 409 CA TYR A 106 71.266 21.968 2.515 1.00 25.00 C ATOM 410 C TYR A 106 71.473 23.467 2.307 1.00 25.00 C ATOM 411 O TYR A 106 72.428 23.894 1.657 1.00 25.00 O ATOM 412 CB TYR A 106 72.513 21.310 3.114 1.00 25.00 C ATOM 413 CG TYR A 106 72.627 21.477 4.614 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.707 22.755 5.201 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.650 20.349 5.461 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.807 22.905 6.613 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.750 20.498 6.872 1.00 25.00 C ATOM 418 CZ TYR A 106 72.833 21.777 7.431 1.00 25.00 C ATOM 419 OH TYR A 106 72.942 21.919 8.791 1.00 25.00 O ATOM 0 H TYR A 106 71.720 21.412 0.550 1.00 25.00 H new ATOM 0 HA TYR A 106 70.441 21.825 3.213 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.502 20.247 2.875 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.399 21.734 2.642 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.692 23.632 4.572 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.591 19.359 5.032 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.863 23.891 7.050 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.762 19.626 7.509 1.00 25.00 H new ATOM 0 HH TYR A 106 73.156 22.851 9.007 1.00 25.00 H new ATOM 429 N CYS A 107 70.561 24.260 2.842 1.00 25.00 N ATOM 430 CA CYS A 107 70.617 25.713 2.729 1.00 25.00 C ATOM 431 C CYS A 107 71.239 26.271 4.000 1.00 25.00 C ATOM 432 O CYS A 107 70.726 26.043 5.086 1.00 25.00 O ATOM 433 CB CYS A 107 69.200 26.270 2.582 1.00 25.00 C ATOM 434 SG CYS A 107 69.142 28.074 2.564 1.00 25.00 S ATOM 0 H CYS A 107 69.758 23.917 3.369 1.00 25.00 H new ATOM 0 HA CYS A 107 71.209 25.996 1.859 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.761 25.890 1.659 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.585 25.902 3.403 1.00 25.00 H new ATOM 0 HG CYS A 107 67.910 28.467 2.435 1.00 25.00 H new ATOM 440 N VAL A 108 72.334 27.008 3.872 1.00 25.00 N ATOM 441 CA VAL A 108 73.014 27.575 5.036 1.00 25.00 C ATOM 442 C VAL A 108 72.922 29.097 5.040 1.00 25.00 C ATOM 443 O VAL A 108 73.330 29.770 4.082 1.00 25.00 O ATOM 444 CB VAL A 108 74.520 27.171 5.091 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.151 27.617 6.428 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.688 25.662 4.931 1.00 25.00 C ATOM 0 H VAL A 108 72.772 27.229 2.978 1.00 25.00 H new ATOM 0 HA VAL A 108 72.506 27.169 5.911 1.00 25.00 H new ATOM 0 HB VAL A 108 75.027 27.672 4.266 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.202 27.327 6.449 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.071 28.700 6.525 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.626 27.139 7.255 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.747 25.407 4.973 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.159 25.150 5.735 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.278 25.350 3.971 1.00 25.00 H new ATOM 456 N ARG A 109 72.443 29.642 6.150 1.00 25.00 N ATOM 457 CA ARG A 109 72.424 31.083 6.371 1.00 25.00 C ATOM 458 C ARG A 109 73.414 31.373 7.479 1.00 25.00 C ATOM 459 O ARG A 109 73.519 30.606 8.423 1.00 25.00 O ATOM 460 CB ARG A 109 71.028 31.536 6.802 1.00 25.00 C ATOM 461 CG ARG A 109 70.442 32.610 5.911 1.00 25.00 C ATOM 462 CD ARG A 109 69.270 33.295 6.599 1.00 25.00 C ATOM 463 NE ARG A 109 68.721 34.389 5.790 1.00 25.00 N ATOM 464 CZ ARG A 109 67.947 35.368 6.242 1.00 25.00 C ATOM 465 NH1 ARG A 109 67.599 35.472 7.503 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 67.526 36.266 5.398 1.00 25.00 N ATOM 0 H ARG A 109 72.057 29.099 6.922 1.00 25.00 H new ATOM 0 HA ARG A 109 72.685 31.615 5.456 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.360 30.675 6.807 1.00 25.00 H new ATOM 0 HB3 ARG A 109 71.075 31.909 7.825 1.00 25.00 H new ATOM 0 HG2 ARG A 109 71.208 33.346 5.667 1.00 25.00 H new ATOM 0 HG3 ARG A 109 70.112 32.170 4.970 1.00 25.00 H new ATOM 0 HD2 ARG A 109 68.487 32.563 6.797 1.00 25.00 H new ATOM 0 HD3 ARG A 109 69.594 33.685 7.564 1.00 25.00 H new ATOM 0 HE ARG A 109 68.954 34.398 4.797 1.00 25.00 H new ATOM 0 HH11 ARG A 109 67.926 34.783 8.181 1.00 25.00 H new ATOM 0 HH12 ARG A 109 67.002 36.242 7.805 1.00 25.00 H new ATOM 0 HH21 ARG A 109 67.792 36.207 4.415 1.00 25.00 H new ATOM 0 HH22 ARG A 109 66.930 37.029 5.720 1.00 25.00 H new ATOM 480 N ARG A 110 74.115 32.497 7.388 1.00 25.00 N ATOM 481 CA ARG A 110 75.069 32.893 8.439 1.00 25.00 C ATOM 482 C ARG A 110 74.341 33.091 9.766 1.00 25.00 C ATOM 483 O ARG A 110 74.908 32.919 10.831 1.00 25.00 O ATOM 484 CB ARG A 110 75.787 34.192 8.042 1.00 25.00 C ATOM 485 CG ARG A 110 76.915 34.587 9.001 1.00 25.00 C ATOM 486 CD ARG A 110 77.559 35.904 8.608 1.00 25.00 C ATOM 487 NE ARG A 110 78.612 36.275 9.570 1.00 25.00 N ATOM 488 CZ ARG A 110 79.336 37.388 9.528 1.00 25.00 C ATOM 489 NH1 ARG A 110 79.183 38.287 8.587 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 80.232 37.598 10.452 1.00 25.00 N ATOM 0 H ARG A 110 74.048 33.151 6.608 1.00 25.00 H new ATOM 0 HA ARG A 110 75.807 32.099 8.554 1.00 25.00 H new ATOM 0 HB2 ARG A 110 76.198 34.078 7.039 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.058 35.001 7.998 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.520 34.665 10.014 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.672 33.803 9.014 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.985 35.822 7.608 1.00 25.00 H new ATOM 0 HD3 ARG A 110 76.802 36.688 8.569 1.00 25.00 H new ATOM 0 HE ARG A 110 78.801 35.623 10.331 1.00 25.00 H new ATOM 0 HH11 ARG A 110 78.489 38.144 7.853 1.00 25.00 H new ATOM 0 HH12 ARG A 110 79.758 39.130 8.588 1.00 25.00 H new ATOM 0 HH21 ARG A 110 80.370 36.912 11.194 1.00 25.00 H new ATOM 0 HH22 ARG A 110 80.795 38.448 10.432 1.00 25.00 H new ATOM 504 N ASP A 111 73.070 33.441 9.661 1.00 25.00 N ATOM 505 CA ASP A 111 72.204 33.722 10.807 1.00 25.00 C ATOM 506 C ASP A 111 71.727 32.469 11.565 1.00 25.00 C ATOM 507 O ASP A 111 70.796 32.545 12.350 1.00 25.00 O ATOM 508 CB ASP A 111 70.978 34.470 10.268 1.00 25.00 C ATOM 509 CG ASP A 111 70.496 35.573 11.194 1.00 25.00 C ATOM 510 OD1 ASP A 111 71.294 36.076 12.013 1.00 25.00 O ATOM 511 OD2 ASP A 111 69.356 36.041 10.980 1.00 25.00 O1- ATOM 0 H ASP A 111 72.597 33.541 8.763 1.00 25.00 H new ATOM 0 HA ASP A 111 72.783 34.302 11.526 1.00 25.00 H new ATOM 0 HB2 ASP A 111 71.221 34.900 9.296 1.00 25.00 H new ATOM 0 HB3 ASP A 111 70.168 33.759 10.108 1.00 25.00 H new ATOM 516 N LEU A 112 72.327 31.315 11.258 1.00 25.00 N ATOM 517 CA LEU A 112 71.959 30.002 11.837 1.00 25.00 C ATOM 518 C LEU A 112 70.494 29.645 11.566 1.00 25.00 C ATOM 519 O LEU A 112 69.893 28.818 12.232 1.00 25.00 O ATOM 520 CB LEU A 112 72.263 29.939 13.344 1.00 25.00 C ATOM 521 CG LEU A 112 73.718 30.225 13.753 1.00 25.00 C ATOM 522 CD1 LEU A 112 73.819 30.231 15.279 1.00 25.00 C ATOM 523 CD2 LEU A 112 74.689 29.181 13.179 1.00 25.00 C ATOM 0 H LEU A 112 73.096 31.257 10.590 1.00 25.00 H new ATOM 0 HA LEU A 112 72.579 29.258 11.337 1.00 25.00 H new ATOM 0 HB2 LEU A 112 71.616 30.653 13.855 1.00 25.00 H new ATOM 0 HB3 LEU A 112 71.993 28.947 13.707 1.00 25.00 H new ATOM 0 HG LEU A 112 73.998 31.198 13.348 1.00 25.00 H new ATOM 0 HD11 LEU A 112 74.848 30.433 15.575 1.00 25.00 H new ATOM 0 HD12 LEU A 112 73.166 31.005 15.684 1.00 25.00 H new ATOM 0 HD13 LEU A 112 73.514 29.259 15.668 1.00 25.00 H new ATOM 0 HD21 LEU A 112 75.706 29.419 13.491 1.00 25.00 H new ATOM 0 HD22 LEU A 112 74.419 28.191 13.548 1.00 25.00 H new ATOM 0 HD23 LEU A 112 74.632 29.191 12.091 1.00 25.00 H new ATOM 535 N SER A 113 69.963 30.258 10.521 1.00 25.00 N ATOM 536 CA SER A 113 68.596 30.040 10.044 1.00 25.00 C ATOM 537 C SER A 113 68.629 28.948 8.972 1.00 25.00 C ATOM 538 O SER A 113 67.862 28.967 8.012 1.00 25.00 O ATOM 539 CB SER A 113 68.034 31.347 9.487 1.00 25.00 C ATOM 540 OG SER A 113 66.698 31.208 9.042 1.00 25.00 O ATOM 0 H SER A 113 70.478 30.939 9.963 1.00 25.00 H new ATOM 0 HA SER A 113 67.948 29.719 10.860 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.080 32.118 10.257 1.00 25.00 H new ATOM 0 HB3 SER A 113 68.657 31.685 8.659 1.00 25.00 H new ATOM 0 HG SER A 113 66.628 30.426 8.456 1.00 25.00 H new ATOM 546 N GLU A 114 69.638 28.100 9.065 1.00 25.00 N ATOM 547 CA GLU A 114 69.892 27.067 8.069 1.00 25.00 C ATOM 548 C GLU A 114 68.858 25.937 8.153 1.00 25.00 C ATOM 549 O GLU A 114 68.240 25.715 9.192 1.00 25.00 O ATOM 550 CB GLU A 114 71.313 26.524 8.263 1.00 25.00 C ATOM 551 CG GLU A 114 71.590 25.868 9.606 1.00 25.00 C ATOM 552 CD GLU A 114 73.074 25.612 9.788 1.00 25.00 C ATOM 553 OE1 GLU A 114 73.798 26.563 10.160 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.535 24.491 9.474 1.00 25.00 O1- ATOM 0 H GLU A 114 70.308 28.106 9.834 1.00 25.00 H new ATOM 0 HA GLU A 114 69.802 27.506 7.075 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.515 25.798 7.476 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.017 27.345 8.128 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.226 26.508 10.410 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.044 24.927 9.675 1.00 25.00 H new ATOM 561 N VAL A 115 68.647 25.258 7.032 1.00 25.00 N ATOM 562 CA VAL A 115 67.626 24.217 6.927 1.00 25.00 C ATOM 563 C VAL A 115 68.087 23.233 5.859 1.00 25.00 C ATOM 564 O VAL A 115 68.838 23.599 4.956 1.00 25.00 O ATOM 565 CB VAL A 115 66.223 24.850 6.554 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.236 25.478 5.142 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.083 23.822 6.670 1.00 25.00 C ATOM 0 H VAL A 115 69.175 25.411 6.173 1.00 25.00 H new ATOM 0 HA VAL A 115 67.499 23.703 7.880 1.00 25.00 H new ATOM 0 HB VAL A 115 66.038 25.644 7.278 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.256 25.902 4.923 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.989 26.265 5.101 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.473 24.711 4.405 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.138 24.296 6.406 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.273 22.990 5.993 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.030 23.452 7.694 1.00 25.00 H new ATOM 577 N THR A 116 67.631 21.997 5.933 1.00 25.00 N ATOM 578 CA THR A 116 67.915 21.022 4.894 1.00 25.00 C ATOM 579 C THR A 116 66.607 20.324 4.571 1.00 25.00 C ATOM 580 O THR A 116 65.729 20.205 5.429 1.00 25.00 O ATOM 581 CB THR A 116 69.041 20.032 5.305 1.00 25.00 C ATOM 582 OG1 THR A 116 69.356 19.173 4.206 1.00 25.00 O ATOM 583 CG2 THR A 116 68.645 19.167 6.495 1.00 25.00 C ATOM 0 H THR A 116 67.062 21.643 6.702 1.00 25.00 H new ATOM 0 HA THR A 116 68.302 21.517 4.003 1.00 25.00 H new ATOM 0 HB THR A 116 69.905 20.633 5.590 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.214 19.654 3.364 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.465 18.493 6.743 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.427 19.805 7.352 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.759 18.584 6.242 1.00 25.00 H new ATOM 591 N PHE A 117 66.452 19.942 3.317 1.00 25.00 N ATOM 592 CA PHE A 117 65.223 19.346 2.813 1.00 25.00 C ATOM 593 C PHE A 117 65.638 18.497 1.625 1.00 25.00 C ATOM 594 O PHE A 117 66.809 18.489 1.261 1.00 25.00 O ATOM 595 CB PHE A 117 64.223 20.439 2.400 1.00 25.00 C ATOM 596 CG PHE A 117 64.780 21.448 1.428 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.695 21.227 0.040 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.374 22.639 1.897 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.195 22.182 -0.880 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.880 23.603 0.987 1.00 25.00 C ATOM 601 CZ PHE A 117 65.787 23.375 -0.404 1.00 25.00 C ATOM 0 H PHE A 117 67.182 20.037 2.610 1.00 25.00 H new ATOM 0 HA PHE A 117 64.721 18.744 3.570 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.348 19.966 1.954 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.882 20.961 3.294 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.243 20.318 -0.328 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.444 22.819 2.960 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.124 21.999 -1.942 1.00 25.00 H new ATOM 0 HE2 PHE A 117 66.335 24.510 1.357 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.166 24.108 -1.101 1.00 25.00 H new ATOM 611 N SER A 118 64.707 17.776 1.026 1.00 25.00 N ATOM 612 CA SER A 118 65.018 16.949 -0.131 1.00 25.00 C ATOM 613 C SER A 118 63.986 17.187 -1.217 1.00 25.00 C ATOM 614 O SER A 118 62.860 17.584 -0.937 1.00 25.00 O ATOM 615 CB SER A 118 65.057 15.473 0.267 1.00 25.00 C ATOM 616 OG SER A 118 64.103 15.199 1.280 1.00 25.00 O ATOM 0 H SER A 118 63.731 17.745 1.319 1.00 25.00 H new ATOM 0 HA SER A 118 66.001 17.221 -0.515 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.856 14.851 -0.605 1.00 25.00 H new ATOM 0 HB3 SER A 118 66.055 15.213 0.621 1.00 25.00 H new ATOM 0 HG SER A 118 64.143 14.249 1.519 1.00 25.00 H new ATOM 622 N LEU A 119 64.392 16.968 -2.457 1.00 25.00 N ATOM 623 CA LEU A 119 63.538 17.189 -3.619 1.00 25.00 C ATOM 624 C LEU A 119 63.570 15.964 -4.495 1.00 25.00 C ATOM 625 O LEU A 119 64.610 15.331 -4.631 1.00 25.00 O ATOM 626 CB LEU A 119 64.068 18.358 -4.452 1.00 25.00 C ATOM 627 CG LEU A 119 63.843 19.775 -3.920 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.628 20.728 -4.800 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.361 20.138 -3.950 1.00 25.00 C ATOM 0 H LEU A 119 65.326 16.631 -2.690 1.00 25.00 H new ATOM 0 HA LEU A 119 62.528 17.402 -3.270 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.141 18.216 -4.583 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.615 18.296 -5.442 1.00 25.00 H new ATOM 0 HG LEU A 119 64.178 19.840 -2.885 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.488 21.749 -4.446 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.687 20.472 -4.760 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.274 20.649 -5.828 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.226 21.150 -3.567 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.994 20.086 -4.975 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.802 19.438 -3.329 1.00 25.00 H new ATOM 641 N GLN A 120 62.461 15.680 -5.156 1.00 25.00 N ATOM 642 CA GLN A 120 62.429 14.613 -6.149 1.00 25.00 C ATOM 643 C GLN A 120 62.442 15.298 -7.502 1.00 25.00 C ATOM 644 O GLN A 120 61.646 16.200 -7.753 1.00 25.00 O ATOM 645 CB GLN A 120 61.200 13.711 -6.001 1.00 25.00 C ATOM 646 CG GLN A 120 61.302 12.453 -6.872 1.00 25.00 C ATOM 647 CD GLN A 120 60.097 11.549 -6.759 1.00 25.00 C ATOM 648 OE1 GLN A 120 59.247 11.521 -7.636 1.00 25.00 O ATOM 649 NE2 GLN A 120 60.033 10.785 -5.700 1.00 25.00 N ATOM 0 H GLN A 120 61.575 16.168 -5.027 1.00 25.00 H new ATOM 0 HA GLN A 120 63.287 13.952 -6.022 1.00 25.00 H new ATOM 0 HB2 GLN A 120 61.087 13.421 -4.956 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.305 14.270 -6.275 1.00 25.00 H new ATOM 0 HG2 GLN A 120 61.429 12.750 -7.913 1.00 25.00 H new ATOM 0 HG3 GLN A 120 62.194 11.895 -6.589 1.00 25.00 H new ATOM 0 HE21 GLN A 120 60.762 10.837 -4.989 1.00 25.00 H new ATOM 0 HE22 GLN A 120 59.254 10.137 -5.585 1.00 25.00 H new ATOM 658 N VAL A 121 63.382 14.905 -8.341 1.00 25.00 N ATOM 659 CA VAL A 121 63.583 15.524 -9.642 1.00 25.00 C ATOM 660 C VAL A 121 63.812 14.414 -10.650 1.00 25.00 C ATOM 661 O VAL A 121 64.121 13.284 -10.282 1.00 25.00 O ATOM 662 CB VAL A 121 64.819 16.476 -9.626 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.548 17.694 -8.736 1.00 25.00 C ATOM 664 CG2 VAL A 121 66.075 15.742 -9.126 1.00 25.00 C ATOM 0 H VAL A 121 64.031 14.144 -8.140 1.00 25.00 H new ATOM 0 HA VAL A 121 62.708 16.119 -9.903 1.00 25.00 H new ATOM 0 HB VAL A 121 64.993 16.810 -10.649 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.421 18.347 -8.737 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.686 18.240 -9.119 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.344 17.362 -7.718 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.921 16.429 -9.125 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.904 15.376 -8.114 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.291 14.901 -9.785 1.00 25.00 H new ATOM 674 N ASP A 122 63.654 14.713 -11.924 1.00 25.00 N ATOM 675 CA ASP A 122 63.907 13.710 -12.944 1.00 25.00 C ATOM 676 C ASP A 122 65.398 13.701 -13.262 1.00 25.00 C ATOM 677 O ASP A 122 66.113 14.632 -12.911 1.00 25.00 O ATOM 678 CB ASP A 122 63.089 13.994 -14.203 1.00 25.00 C ATOM 679 CG ASP A 122 62.645 12.718 -14.890 1.00 25.00 C ATOM 680 OD1 ASP A 122 63.261 11.661 -14.614 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 61.613 12.730 -15.582 1.00 25.00 O1- ATOM 0 H ASP A 122 63.357 15.624 -12.275 1.00 25.00 H new ATOM 0 HA ASP A 122 63.605 12.731 -12.572 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.214 14.588 -13.941 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.683 14.591 -14.895 1.00 25.00 H new ATOM 686 N ALA A 123 65.870 12.668 -13.939 1.00 25.00 N ATOM 687 CA ALA A 123 67.280 12.601 -14.310 1.00 25.00 C ATOM 688 C ALA A 123 67.613 13.772 -15.247 1.00 25.00 C ATOM 689 O ALA A 123 68.686 14.372 -15.170 1.00 25.00 O ATOM 690 CB ALA A 123 67.576 11.260 -14.993 1.00 25.00 C ATOM 0 H ALA A 123 65.309 11.872 -14.241 1.00 25.00 H new ATOM 0 HA ALA A 123 67.900 12.675 -13.417 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.630 11.216 -15.267 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.345 10.444 -14.308 1.00 25.00 H new ATOM 0 HB3 ALA A 123 66.963 11.165 -15.890 1.00 25.00 H new ATOM 696 N ASP A 124 66.668 14.092 -16.117 1.00 25.00 N ATOM 697 CA ASP A 124 66.856 15.139 -17.122 1.00 25.00 C ATOM 698 C ASP A 124 66.399 16.526 -16.651 1.00 25.00 C ATOM 699 O ASP A 124 66.175 17.428 -17.447 1.00 25.00 O ATOM 700 CB ASP A 124 66.099 14.753 -18.395 1.00 25.00 C ATOM 701 CG ASP A 124 66.735 15.328 -19.652 1.00 25.00 C ATOM 702 OD1 ASP A 124 67.971 15.552 -19.648 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.023 15.464 -20.668 1.00 25.00 O1- ATOM 0 H ASP A 124 65.754 13.640 -16.151 1.00 25.00 H new ATOM 0 HA ASP A 124 67.927 15.213 -17.310 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.062 13.667 -18.476 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.069 15.103 -18.321 1.00 25.00 H new ATOM 708 N PHE A 125 66.234 16.696 -15.347 1.00 25.00 N ATOM 709 CA PHE A 125 65.774 17.974 -14.806 1.00 25.00 C ATOM 710 C PHE A 125 66.832 19.058 -15.011 1.00 25.00 C ATOM 711 O PHE A 125 67.995 18.870 -14.647 1.00 25.00 O ATOM 712 CB PHE A 125 65.475 17.819 -13.320 1.00 25.00 C ATOM 713 CG PHE A 125 64.322 18.640 -12.837 1.00 25.00 C ATOM 714 CD1 PHE A 125 63.005 18.223 -13.105 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.529 19.810 -12.088 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.901 18.959 -12.620 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.430 20.545 -11.584 1.00 25.00 C ATOM 718 CZ PHE A 125 62.116 20.116 -11.853 1.00 25.00 C ATOM 0 H PHE A 125 66.409 15.975 -14.647 1.00 25.00 H new ATOM 0 HA PHE A 125 64.868 18.272 -15.333 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.272 16.769 -13.109 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.364 18.092 -12.752 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.836 17.330 -13.688 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.535 20.151 -11.895 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.895 18.633 -12.838 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.599 21.434 -10.994 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.275 20.675 -11.470 1.00 25.00 H new ATOM 728 N GLU A 126 66.432 20.183 -15.589 1.00 25.00 N ATOM 729 CA GLU A 126 67.361 21.286 -15.843 1.00 25.00 C ATOM 730 C GLU A 126 67.805 21.941 -14.552 1.00 25.00 C ATOM 731 O GLU A 126 67.028 22.052 -13.602 1.00 25.00 O ATOM 732 CB GLU A 126 66.696 22.403 -16.645 1.00 25.00 C ATOM 733 CG GLU A 126 66.435 22.123 -18.103 1.00 25.00 C ATOM 734 CD GLU A 126 65.941 23.382 -18.814 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.781 24.424 -18.123 1.00 25.00 O ATOM 736 OE2 GLU A 126 65.723 23.348 -20.038 1.00 25.00 O1- ATOM 0 H GLU A 126 65.474 20.360 -15.892 1.00 25.00 H new ATOM 0 HA GLU A 126 68.198 20.843 -16.383 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.746 22.645 -16.169 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.323 23.292 -16.576 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.348 21.765 -18.579 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.693 21.330 -18.199 1.00 25.00 H new ATOM 743 N LEU A 127 69.001 22.510 -14.567 1.00 25.00 N ATOM 744 CA LEU A 127 69.474 23.311 -13.443 1.00 25.00 C ATOM 745 C LEU A 127 68.573 24.532 -13.217 1.00 25.00 C ATOM 746 O LEU A 127 68.328 24.939 -12.082 1.00 25.00 O ATOM 747 CB LEU A 127 70.897 23.792 -13.715 1.00 25.00 C ATOM 748 CG LEU A 127 71.901 23.606 -12.570 1.00 25.00 C ATOM 749 CD1 LEU A 127 73.226 24.183 -13.013 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.449 24.286 -11.264 1.00 25.00 C ATOM 0 H LEU A 127 69.661 22.434 -15.341 1.00 25.00 H new ATOM 0 HA LEU A 127 69.451 22.685 -12.551 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.275 23.267 -14.592 1.00 25.00 H new ATOM 0 HB3 LEU A 127 70.859 24.851 -13.970 1.00 25.00 H new ATOM 0 HG LEU A 127 71.981 22.541 -12.354 1.00 25.00 H new ATOM 0 HD11 LEU A 127 73.960 24.064 -12.216 1.00 25.00 H new ATOM 0 HD12 LEU A 127 73.571 23.660 -13.905 1.00 25.00 H new ATOM 0 HD13 LEU A 127 73.104 25.242 -13.238 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.198 24.121 -10.490 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.331 25.356 -11.433 1.00 25.00 H new ATOM 0 HD23 LEU A 127 70.497 23.863 -10.944 1.00 25.00 H new ATOM 762 N HIS A 128 68.063 25.108 -14.297 1.00 25.00 N ATOM 763 CA HIS A 128 67.203 26.289 -14.193 1.00 25.00 C ATOM 764 C HIS A 128 65.903 25.959 -13.467 1.00 25.00 C ATOM 765 O HIS A 128 65.391 26.759 -12.691 1.00 25.00 O ATOM 766 CB HIS A 128 66.886 26.839 -15.583 1.00 25.00 C ATOM 767 CG HIS A 128 66.250 28.194 -15.560 1.00 25.00 C ATOM 768 ND1 HIS A 128 64.896 28.417 -15.571 1.00 25.00 N ATOM 769 CD2 HIS A 128 66.811 29.435 -15.526 1.00 25.00 C ATOM 770 CE1 HIS A 128 64.690 29.730 -15.540 1.00 25.00 C ATOM 771 NE2 HIS A 128 65.824 30.399 -15.502 1.00 25.00 N ATOM 0 H HIS A 128 68.225 24.783 -15.250 1.00 25.00 H new ATOM 0 HA HIS A 128 67.741 27.043 -13.619 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.807 26.889 -16.164 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.222 26.144 -16.097 1.00 25.00 H new ATOM 0 HD2 HIS A 128 67.872 29.635 -15.519 1.00 25.00 H new ATOM 0 HE1 HIS A 128 63.713 30.191 -15.545 1.00 25.00 H new ATOM 0 HE2 HIS A 128 65.946 31.411 -15.463 1.00 25.00 H new ATOM 779 N ASN A 129 65.380 24.766 -13.702 1.00 25.00 N ATOM 780 CA ASN A 129 64.160 24.340 -13.030 1.00 25.00 C ATOM 781 C ASN A 129 64.490 23.911 -11.594 1.00 25.00 C ATOM 782 O ASN A 129 63.732 24.151 -10.656 1.00 25.00 O ATOM 783 CB ASN A 129 63.517 23.189 -13.808 1.00 25.00 C ATOM 784 CG ASN A 129 62.015 23.138 -13.632 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.433 23.946 -12.933 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.383 22.210 -14.296 1.00 25.00 N ATOM 0 H ASN A 129 65.775 24.081 -14.346 1.00 25.00 H new ATOM 0 HA ASN A 129 63.452 25.168 -12.992 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.752 23.295 -14.867 1.00 25.00 H new ATOM 0 HB3 ASN A 129 63.950 22.245 -13.478 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.367 22.145 -14.239 1.00 25.00 H new ATOM 0 HD22 ASN A 129 61.905 21.550 -14.872 1.00 25.00 H new ATOM 793 N PHE A 130 65.655 23.306 -11.420 1.00 25.00 N ATOM 794 CA PHE A 130 66.094 22.858 -10.102 1.00 25.00 C ATOM 795 C PHE A 130 66.248 24.014 -9.130 1.00 25.00 C ATOM 796 O PHE A 130 65.788 23.931 -7.997 1.00 25.00 O ATOM 797 CB PHE A 130 67.423 22.118 -10.209 1.00 25.00 C ATOM 798 CG PHE A 130 67.909 21.563 -8.900 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.143 20.613 -8.200 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.138 21.983 -8.356 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.600 20.072 -6.974 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.605 21.451 -7.131 1.00 25.00 C ATOM 803 CZ PHE A 130 68.836 20.488 -6.441 1.00 25.00 C ATOM 0 H PHE A 130 66.315 23.113 -12.173 1.00 25.00 H new ATOM 0 HA PHE A 130 65.323 22.189 -9.720 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.318 21.302 -10.924 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.176 22.797 -10.608 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.194 20.292 -8.603 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.730 22.719 -8.879 1.00 25.00 H new ATOM 0 HE1 PHE A 130 67.002 19.342 -6.448 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.549 21.781 -6.724 1.00 25.00 H new ATOM 0 HZ PHE A 130 69.193 20.073 -5.510 1.00 25.00 H new ATOM 813 N ARG A 131 66.858 25.109 -9.564 1.00 25.00 N ATOM 814 CA ARG A 131 67.008 26.264 -8.674 1.00 25.00 C ATOM 815 C ARG A 131 65.651 26.866 -8.331 1.00 25.00 C ATOM 816 O ARG A 131 65.499 27.419 -7.263 1.00 25.00 O ATOM 817 CB ARG A 131 67.967 27.325 -9.241 1.00 25.00 C ATOM 818 CG ARG A 131 67.493 28.049 -10.498 1.00 25.00 C ATOM 819 CD ARG A 131 67.384 29.568 -10.296 1.00 25.00 C ATOM 820 NE ARG A 131 66.036 29.995 -9.867 1.00 25.00 N ATOM 821 CZ ARG A 131 65.012 30.239 -10.681 1.00 25.00 C ATOM 822 NH1 ARG A 131 65.089 30.080 -11.980 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 63.891 30.656 -10.178 1.00 25.00 N ATOM 0 H ARG A 131 67.249 25.227 -10.499 1.00 25.00 H new ATOM 0 HA ARG A 131 67.462 25.900 -7.752 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.155 28.068 -8.466 1.00 25.00 H new ATOM 0 HB3 ARG A 131 68.921 26.845 -9.460 1.00 25.00 H new ATOM 0 HG2 ARG A 131 68.185 27.843 -11.315 1.00 25.00 H new ATOM 0 HG3 ARG A 131 66.522 27.655 -10.796 1.00 25.00 H new ATOM 0 HD2 ARG A 131 68.114 29.884 -9.551 1.00 25.00 H new ATOM 0 HD3 ARG A 131 67.640 30.073 -11.227 1.00 25.00 H new ATOM 0 HE ARG A 131 65.878 30.112 -8.866 1.00 25.00 H new ATOM 0 HH11 ARG A 131 65.959 29.757 -12.404 1.00 25.00 H new ATOM 0 HH12 ARG A 131 64.279 30.279 -12.567 1.00 25.00 H new ATOM 0 HH21 ARG A 131 63.803 30.793 -9.171 1.00 25.00 H new ATOM 0 HH22 ARG A 131 63.097 30.847 -10.790 1.00 25.00 H new ATOM 837 N ALA A 132 64.665 26.729 -9.209 1.00 25.00 N ATOM 838 CA ALA A 132 63.322 27.231 -8.923 1.00 25.00 C ATOM 839 C ALA A 132 62.662 26.368 -7.839 1.00 25.00 C ATOM 840 O ALA A 132 62.059 26.887 -6.910 1.00 25.00 O ATOM 841 CB ALA A 132 62.472 27.237 -10.208 1.00 25.00 C ATOM 0 H ALA A 132 64.766 26.279 -10.119 1.00 25.00 H new ATOM 0 HA ALA A 132 63.394 28.255 -8.556 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.474 27.613 -9.982 1.00 25.00 H new ATOM 0 HB2 ALA A 132 62.942 27.880 -10.952 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.398 26.223 -10.600 1.00 25.00 H new ATOM 847 N LEU A 133 62.812 25.053 -7.943 1.00 25.00 N ATOM 848 CA LEU A 133 62.274 24.145 -6.922 1.00 25.00 C ATOM 849 C LEU A 133 62.985 24.367 -5.583 1.00 25.00 C ATOM 850 O LEU A 133 62.368 24.351 -4.527 1.00 25.00 O ATOM 851 CB LEU A 133 62.453 22.686 -7.352 1.00 25.00 C ATOM 852 CG LEU A 133 61.237 22.012 -8.009 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.845 22.670 -9.337 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.553 20.532 -8.235 1.00 25.00 C ATOM 0 H LEU A 133 63.295 24.590 -8.713 1.00 25.00 H new ATOM 0 HA LEU A 133 61.211 24.358 -6.807 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.289 22.636 -8.049 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.734 22.103 -6.475 1.00 25.00 H new ATOM 0 HG LEU A 133 60.387 22.126 -7.336 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.981 22.155 -9.757 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.595 23.717 -9.164 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.680 22.607 -10.035 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.697 20.044 -8.701 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.422 20.441 -8.887 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.766 20.055 -7.278 1.00 25.00 H new ATOM 866 N CYS A 134 64.285 24.598 -5.644 1.00 25.00 N ATOM 867 CA CYS A 134 65.081 24.866 -4.448 1.00 25.00 C ATOM 868 C CYS A 134 64.625 26.167 -3.781 1.00 25.00 C ATOM 869 O CYS A 134 64.484 26.242 -2.567 1.00 25.00 O ATOM 870 CB CYS A 134 66.554 24.973 -4.847 1.00 25.00 C ATOM 871 SG CYS A 134 67.671 25.173 -3.454 1.00 25.00 S ATOM 0 H CYS A 134 64.819 24.606 -6.513 1.00 25.00 H new ATOM 0 HA CYS A 134 64.948 24.052 -3.736 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.836 24.078 -5.401 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.677 25.819 -5.523 1.00 25.00 H new ATOM 0 HG CYS A 134 68.894 25.253 -3.887 1.00 25.00 H new ATOM 877 N GLU A 135 64.380 27.181 -4.596 1.00 25.00 N ATOM 878 CA GLU A 135 63.930 28.492 -4.127 1.00 25.00 C ATOM 879 C GLU A 135 62.576 28.379 -3.423 1.00 25.00 C ATOM 880 O GLU A 135 62.356 28.989 -2.375 1.00 25.00 O ATOM 881 CB GLU A 135 63.851 29.415 -5.352 1.00 25.00 C ATOM 882 CG GLU A 135 63.571 30.872 -5.093 1.00 25.00 C ATOM 883 CD GLU A 135 63.886 31.720 -6.322 1.00 25.00 C ATOM 884 OE1 GLU A 135 63.924 31.171 -7.450 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 64.221 32.914 -6.153 1.00 25.00 O1- ATOM 0 H GLU A 135 64.487 27.122 -5.609 1.00 25.00 H new ATOM 0 HA GLU A 135 64.628 28.901 -3.397 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.795 29.342 -5.892 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.074 29.033 -6.014 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.524 31.001 -4.817 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.168 31.215 -4.248 1.00 25.00 H new ATOM 892 N LEU A 136 61.696 27.550 -3.973 1.00 25.00 N ATOM 893 CA LEU A 136 60.369 27.334 -3.400 1.00 25.00 C ATOM 894 C LEU A 136 60.437 26.749 -1.990 1.00 25.00 C ATOM 895 O LEU A 136 59.766 27.233 -1.085 1.00 25.00 O ATOM 896 CB LEU A 136 59.571 26.384 -4.307 1.00 25.00 C ATOM 897 CG LEU A 136 58.117 26.089 -3.895 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.236 27.339 -4.000 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.557 24.982 -4.788 1.00 25.00 C ATOM 0 H LEU A 136 61.878 27.012 -4.821 1.00 25.00 H new ATOM 0 HA LEU A 136 59.876 28.304 -3.332 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.561 26.804 -5.313 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.107 25.437 -4.362 1.00 25.00 H new ATOM 0 HG LEU A 136 58.113 25.769 -2.853 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.217 27.092 -3.701 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.628 28.117 -3.344 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.235 27.698 -5.029 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.527 24.769 -4.501 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.584 25.305 -5.829 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.160 24.081 -4.672 1.00 25.00 H new ATOM 911 N GLU A 137 61.234 25.706 -1.811 1.00 25.00 N ATOM 912 CA GLU A 137 61.324 25.032 -0.512 1.00 25.00 C ATOM 913 C GLU A 137 62.144 25.833 0.499 1.00 25.00 C ATOM 914 O GLU A 137 61.868 25.811 1.695 1.00 25.00 O ATOM 915 CB GLU A 137 61.971 23.657 -0.677 1.00 25.00 C ATOM 916 CG GLU A 137 61.175 22.679 -1.532 1.00 25.00 C ATOM 917 CD GLU A 137 59.782 22.396 -0.984 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.667 22.006 0.198 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 58.805 22.520 -1.756 1.00 25.00 O1- ATOM 0 H GLU A 137 61.826 25.306 -2.539 1.00 25.00 H new ATOM 0 HA GLU A 137 60.306 24.937 -0.135 1.00 25.00 H new ATOM 0 HB2 GLU A 137 62.959 23.786 -1.120 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.119 23.219 0.310 1.00 25.00 H new ATOM 0 HG2 GLU A 137 61.086 23.079 -2.542 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.726 21.741 -1.608 1.00 25.00 H new ATOM 926 N SER A 138 63.174 26.522 0.027 1.00 25.00 N ATOM 927 CA SER A 138 64.041 27.288 0.927 1.00 25.00 C ATOM 928 C SER A 138 63.388 28.603 1.346 1.00 25.00 C ATOM 929 O SER A 138 63.702 29.141 2.409 1.00 25.00 O ATOM 930 CB SER A 138 65.395 27.562 0.275 1.00 25.00 C ATOM 931 OG SER A 138 65.246 28.323 -0.909 1.00 25.00 O ATOM 0 H SER A 138 63.432 26.570 -0.959 1.00 25.00 H new ATOM 0 HA SER A 138 64.196 26.684 1.821 1.00 25.00 H new ATOM 0 HB2 SER A 138 66.038 28.095 0.975 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.889 26.618 0.044 1.00 25.00 H new ATOM 0 HG SER A 138 64.969 27.736 -1.643 1.00 25.00 H new ATOM 937 N GLY A 139 62.483 29.120 0.522 1.00 25.00 N ATOM 938 CA GLY A 139 61.744 30.323 0.879 1.00 25.00 C ATOM 939 C GLY A 139 62.568 31.595 0.826 1.00 25.00 C ATOM 940 O GLY A 139 62.149 32.635 1.340 1.00 25.00 O ATOM 0 H GLY A 139 62.246 28.728 -0.389 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.892 30.426 0.206 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.343 30.205 1.885 1.00 25.00 H new ATOM 944 N ILE A 140 63.738 31.525 0.210 1.00 25.00 N ATOM 945 CA ILE A 140 64.621 32.685 0.083 1.00 25.00 C ATOM 946 C ILE A 140 64.974 32.873 -1.390 1.00 25.00 C ATOM 947 O ILE A 140 65.030 31.902 -2.138 1.00 25.00 O ATOM 948 CB ILE A 140 65.925 32.523 0.922 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.643 31.203 0.580 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.608 32.585 2.436 1.00 25.00 C ATOM 951 CD1 ILE A 140 68.092 31.169 1.003 1.00 25.00 C ATOM 0 H ILE A 140 64.104 30.673 -0.214 1.00 25.00 H new ATOM 0 HA ILE A 140 64.096 33.559 0.468 1.00 25.00 H new ATOM 0 HB ILE A 140 66.591 33.348 0.670 1.00 25.00 H new ATOM 0 HG12 ILE A 140 66.115 30.379 1.059 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.584 31.037 -0.496 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.530 32.470 3.006 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.152 33.546 2.673 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.918 31.782 2.696 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.529 30.209 0.728 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.636 31.971 0.504 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.159 31.303 2.083 1.00 25.00 H new ATOM 963 N PRO A 141 65.188 34.127 -1.836 1.00 25.00 N ATOM 964 CA PRO A 141 65.484 34.269 -3.265 1.00 25.00 C ATOM 965 C PRO A 141 66.778 33.588 -3.700 1.00 25.00 C ATOM 966 O PRO A 141 67.828 33.738 -3.061 1.00 25.00 O ATOM 967 CB PRO A 141 65.605 35.787 -3.448 1.00 25.00 C ATOM 968 CG PRO A 141 64.854 36.366 -2.305 1.00 25.00 C ATOM 969 CD PRO A 141 65.143 35.440 -1.168 1.00 25.00 C ATOM 0 HA PRO A 141 64.713 33.794 -3.871 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.648 36.105 -3.439 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.183 36.106 -4.401 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.184 37.381 -2.085 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.786 36.417 -2.515 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.087 35.680 -0.678 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.368 35.481 -0.403 1.00 25.00 H new ATOM 977 N ALA A 142 66.710 32.883 -4.819 1.00 25.00 N ATOM 978 CA ALA A 142 67.878 32.230 -5.400 1.00 25.00 C ATOM 979 C ALA A 142 68.884 33.286 -5.861 1.00 25.00 C ATOM 980 O ALA A 142 70.078 33.040 -5.896 1.00 25.00 O ATOM 981 CB ALA A 142 67.453 31.341 -6.577 1.00 25.00 C ATOM 0 H ALA A 142 65.849 32.746 -5.349 1.00 25.00 H new ATOM 0 HA ALA A 142 68.351 31.601 -4.646 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.332 30.858 -7.004 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.756 30.581 -6.225 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.969 31.952 -7.339 1.00 25.00 H new ATOM 987 N ALA A 143 68.380 34.468 -6.196 1.00 25.00 N ATOM 988 CA ALA A 143 69.217 35.575 -6.663 1.00 25.00 C ATOM 989 C ALA A 143 70.164 36.090 -5.569 1.00 25.00 C ATOM 990 O ALA A 143 71.175 36.712 -5.860 1.00 25.00 O ATOM 991 CB ALA A 143 68.317 36.716 -7.156 1.00 25.00 C ATOM 0 H ALA A 143 67.385 34.689 -6.153 1.00 25.00 H new ATOM 0 HA ALA A 143 69.839 35.204 -7.478 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.936 37.543 -7.505 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.693 36.359 -7.975 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.682 37.058 -6.339 1.00 25.00 H new ATOM 997 N GLU A 144 69.819 35.824 -4.318 1.00 25.00 N ATOM 998 CA GLU A 144 70.616 36.269 -3.170 1.00 25.00 C ATOM 999 C GLU A 144 71.536 35.138 -2.709 1.00 25.00 C ATOM 1000 O GLU A 144 72.112 35.186 -1.615 1.00 25.00 O ATOM 1001 CB GLU A 144 69.679 36.648 -2.013 1.00 25.00 C ATOM 1002 CG GLU A 144 68.757 37.838 -2.292 1.00 25.00 C ATOM 1003 CD GLU A 144 69.485 39.180 -2.287 1.00 25.00 C ATOM 1004 OE1 GLU A 144 70.630 39.252 -1.789 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 68.879 40.174 -2.737 1.00 25.00 O1- ATOM 0 H GLU A 144 68.984 35.296 -4.064 1.00 25.00 H new ATOM 0 HA GLU A 144 71.214 37.132 -3.465 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.065 35.782 -1.764 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.283 36.874 -1.135 1.00 25.00 H new ATOM 0 HG2 GLU A 144 68.276 37.697 -3.260 1.00 25.00 H new ATOM 0 HG3 GLU A 144 67.966 37.859 -1.543 1.00 25.00 H new ATOM 1012 N SER A 145 71.617 34.078 -3.502 1.00 25.00 N ATOM 1013 CA SER A 145 72.312 32.871 -3.077 1.00 25.00 C ATOM 1014 C SER A 145 73.248 32.271 -4.118 1.00 25.00 C ATOM 1015 O SER A 145 73.058 32.419 -5.316 1.00 25.00 O ATOM 1016 CB SER A 145 71.271 31.818 -2.699 1.00 25.00 C ATOM 1017 OG SER A 145 70.349 32.332 -1.750 1.00 25.00 O ATOM 0 H SER A 145 71.213 34.029 -4.437 1.00 25.00 H new ATOM 0 HA SER A 145 72.940 33.165 -2.236 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.736 31.493 -3.592 1.00 25.00 H new ATOM 0 HB3 SER A 145 71.769 30.940 -2.289 1.00 25.00 H new ATOM 0 HG SER A 145 69.614 32.781 -2.218 1.00 25.00 H new ATOM 1023 N GLN A 146 74.231 31.533 -3.629 1.00 25.00 N ATOM 1024 CA GLN A 146 75.141 30.775 -4.479 1.00 25.00 C ATOM 1025 C GLN A 146 74.867 29.309 -4.204 1.00 25.00 C ATOM 1026 O GLN A 146 74.579 28.932 -3.068 1.00 25.00 O ATOM 1027 CB GLN A 146 76.601 31.103 -4.148 1.00 25.00 C ATOM 1028 CG GLN A 146 77.025 32.532 -4.511 1.00 25.00 C ATOM 1029 CD GLN A 146 76.917 32.820 -5.999 1.00 25.00 C ATOM 1030 OE1 GLN A 146 76.263 33.754 -6.409 1.00 25.00 O ATOM 1031 NE2 GLN A 146 77.580 32.028 -6.807 1.00 25.00 N ATOM 0 H GLN A 146 74.423 31.441 -2.631 1.00 25.00 H new ATOM 0 HA GLN A 146 74.983 31.024 -5.528 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.763 30.948 -3.081 1.00 25.00 H new ATOM 0 HB3 GLN A 146 77.247 30.400 -4.674 1.00 25.00 H new ATOM 0 HG2 GLN A 146 76.404 33.240 -3.963 1.00 25.00 H new ATOM 0 HG3 GLN A 146 78.054 32.694 -4.188 1.00 25.00 H new ATOM 0 HE21 GLN A 146 78.121 31.250 -6.429 1.00 25.00 H new ATOM 0 HE22 GLN A 146 77.555 32.190 -7.814 1.00 25.00 H new ATOM 1040 N ILE A 147 74.943 28.490 -5.240 1.00 25.00 N ATOM 1041 CA ILE A 147 74.634 27.068 -5.138 1.00 25.00 C ATOM 1042 C ILE A 147 75.845 26.256 -5.622 1.00 25.00 C ATOM 1043 O ILE A 147 76.465 26.578 -6.645 1.00 25.00 O ATOM 1044 CB ILE A 147 73.326 26.752 -5.944 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.932 25.277 -5.763 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.479 27.154 -7.440 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.619 24.872 -6.476 1.00 25.00 C ATOM 0 H ILE A 147 75.220 28.789 -6.175 1.00 25.00 H new ATOM 0 HA ILE A 147 74.443 26.786 -4.103 1.00 25.00 H new ATOM 0 HB ILE A 147 72.510 27.355 -5.546 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.742 24.649 -6.135 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.831 25.069 -4.698 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.557 26.924 -7.975 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.682 28.223 -7.511 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.305 26.598 -7.884 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.418 23.816 -6.295 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.795 25.470 -6.088 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.719 25.044 -7.548 1.00 25.00 H new ATOM 1059 N VAL A 148 76.221 25.250 -4.844 1.00 25.00 N ATOM 1060 CA VAL A 148 77.392 24.425 -5.136 1.00 25.00 C ATOM 1061 C VAL A 148 77.100 22.938 -4.932 1.00 25.00 C ATOM 1062 O VAL A 148 76.248 22.553 -4.131 1.00 25.00 O ATOM 1063 CB VAL A 148 78.641 24.817 -4.246 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.069 26.269 -4.506 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.365 24.626 -2.758 1.00 25.00 C ATOM 0 H VAL A 148 75.726 24.981 -3.994 1.00 25.00 H new ATOM 0 HA VAL A 148 77.629 24.613 -6.183 1.00 25.00 H new ATOM 0 HB VAL A 148 79.451 24.146 -4.532 1.00 25.00 H new ATOM 0 HG11 VAL A 148 79.929 26.512 -3.882 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.338 26.387 -5.556 1.00 25.00 H new ATOM 0 HG13 VAL A 148 78.244 26.940 -4.265 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.249 24.907 -2.185 1.00 25.00 H new ATOM 0 HG22 VAL A 148 77.525 25.254 -2.460 1.00 25.00 H new ATOM 0 HG23 VAL A 148 78.124 23.581 -2.564 1.00 25.00 H new ATOM 1075 N TYR A 149 77.831 22.113 -5.658 1.00 25.00 N ATOM 1076 CA TYR A 149 77.759 20.663 -5.539 1.00 25.00 C ATOM 1077 C TYR A 149 79.191 20.180 -5.686 1.00 25.00 C ATOM 1078 O TYR A 149 79.925 20.712 -6.513 1.00 25.00 O ATOM 1079 CB TYR A 149 76.895 20.072 -6.650 1.00 25.00 C ATOM 1080 CG TYR A 149 77.110 18.592 -6.820 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.738 17.689 -5.806 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.715 18.081 -7.986 1.00 25.00 C ATOM 1083 CE1 TYR A 149 76.967 16.304 -5.954 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.934 16.687 -8.140 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.557 15.811 -7.122 1.00 25.00 C ATOM 1086 OH TYR A 149 77.773 14.468 -7.278 1.00 25.00 O ATOM 0 H TYR A 149 78.501 22.432 -6.357 1.00 25.00 H new ATOM 0 HA TYR A 149 77.313 20.360 -4.592 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.845 20.260 -6.428 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.119 20.579 -7.589 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.272 18.060 -4.905 1.00 25.00 H new ATOM 0 HD2 TYR A 149 78.016 18.758 -8.772 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.686 15.624 -5.164 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.391 16.306 -9.042 1.00 25.00 H new ATOM 0 HH TYR A 149 77.366 13.982 -6.530 1.00 25.00 H new ATOM 1096 N ALA A 150 79.599 19.229 -4.850 1.00 25.00 N ATOM 1097 CA ALA A 150 80.973 18.712 -4.849 1.00 25.00 C ATOM 1098 C ALA A 150 82.006 19.858 -4.812 1.00 25.00 C ATOM 1099 O ALA A 150 82.988 19.844 -5.553 1.00 25.00 O ATOM 1100 CB ALA A 150 81.197 17.802 -6.080 1.00 25.00 C ATOM 0 H ALA A 150 78.993 18.794 -4.155 1.00 25.00 H new ATOM 0 HA ALA A 150 81.116 18.119 -3.945 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.219 17.423 -6.071 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.499 16.965 -6.046 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.031 18.376 -6.992 1.00 25.00 H new ATOM 1106 N GLU A 151 81.735 20.852 -3.967 1.00 25.00 N ATOM 1107 CA GLU A 151 82.596 22.038 -3.774 1.00 25.00 C ATOM 1108 C GLU A 151 82.858 22.847 -5.059 1.00 25.00 C ATOM 1109 O GLU A 151 83.841 23.582 -5.157 1.00 25.00 O ATOM 1110 CB GLU A 151 83.929 21.643 -3.114 1.00 25.00 C ATOM 1111 CG GLU A 151 83.753 20.920 -1.779 1.00 25.00 C ATOM 1112 CD GLU A 151 85.077 20.693 -1.058 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.139 20.710 -1.718 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.049 20.503 0.177 1.00 25.00 O1- ATOM 0 H GLU A 151 80.899 20.864 -3.383 1.00 25.00 H new ATOM 0 HA GLU A 151 82.035 22.698 -3.112 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.488 21.001 -3.796 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.528 22.540 -2.957 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.090 21.502 -1.139 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.268 19.959 -1.951 1.00 25.00 H new ATOM 1121 N ARG A 152 81.965 22.734 -6.034 1.00 25.00 N ATOM 1122 CA ARG A 152 82.085 23.460 -7.304 1.00 25.00 C ATOM 1123 C ARG A 152 80.739 24.104 -7.615 1.00 25.00 C ATOM 1124 O ARG A 152 79.704 23.581 -7.218 1.00 25.00 O ATOM 1125 CB ARG A 152 82.476 22.479 -8.413 1.00 25.00 C ATOM 1126 CG ARG A 152 83.912 21.985 -8.293 1.00 25.00 C ATOM 1127 CD ARG A 152 84.110 20.670 -9.023 1.00 25.00 C ATOM 1128 NE ARG A 152 85.516 20.230 -8.963 1.00 25.00 N ATOM 1129 CZ ARG A 152 86.083 19.594 -7.941 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.444 19.291 -6.842 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 87.339 19.253 -8.029 1.00 25.00 N ATOM 0 H ARG A 152 81.138 22.140 -5.973 1.00 25.00 H new ATOM 0 HA ARG A 152 82.853 24.231 -7.236 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.800 21.624 -8.389 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.344 22.962 -9.381 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.591 22.734 -8.700 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.168 21.861 -7.241 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.469 19.907 -8.582 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.805 20.780 -10.064 1.00 25.00 H new ATOM 0 HE ARG A 152 86.103 20.430 -9.773 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.461 19.543 -6.737 1.00 25.00 H new ATOM 0 HH12 ARG A 152 85.928 18.802 -6.089 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.870 19.475 -8.871 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.790 18.765 -7.255 1.00 25.00 H new ATOM 1145 N PRO A 153 80.732 25.268 -8.283 1.00 25.00 N ATOM 1146 CA PRO A 153 79.421 25.889 -8.502 1.00 25.00 C ATOM 1147 C PRO A 153 78.573 25.181 -9.548 1.00 25.00 C ATOM 1148 O PRO A 153 79.087 24.558 -10.477 1.00 25.00 O ATOM 1149 CB PRO A 153 79.789 27.298 -8.965 1.00 25.00 C ATOM 1150 CG PRO A 153 81.076 27.116 -9.674 1.00 25.00 C ATOM 1151 CD PRO A 153 81.817 26.098 -8.840 1.00 25.00 C ATOM 0 HA PRO A 153 78.805 25.853 -7.604 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.026 27.714 -9.623 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.891 27.982 -8.122 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.923 26.761 -10.693 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.629 28.053 -9.743 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.507 25.508 -9.443 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.406 26.572 -8.055 1.00 25.00 H new ATOM 1159 N LEU A 154 77.267 25.321 -9.403 1.00 25.00 N ATOM 1160 CA LEU A 154 76.308 24.794 -10.369 1.00 25.00 C ATOM 1161 C LEU A 154 75.818 25.990 -11.184 1.00 0.00 C ATOM 1162 O LEU A 154 75.264 26.929 -10.619 1.00 25.00 O ATOM 1163 CB LEU A 154 75.141 24.121 -9.633 1.00 25.00 C ATOM 1164 CG LEU A 154 75.383 22.722 -9.045 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.173 22.299 -8.215 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.612 21.694 -10.140 1.00 25.00 C ATOM 0 H LEU A 154 76.837 25.803 -8.613 1.00 25.00 H new ATOM 0 HA LEU A 154 76.760 24.043 -11.017 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.833 24.778 -8.820 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.301 24.054 -10.325 1.00 25.00 H new ATOM 0 HG LEU A 154 76.275 22.770 -8.420 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.346 21.307 -7.799 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.021 23.011 -7.404 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.287 22.277 -8.849 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.780 20.715 -9.691 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.736 21.651 -10.787 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.484 21.978 -10.729 1.00 25.00 H new ATOM 1178 N THR A 155 76.101 26.000 -12.483 1.00 25.00 N ATOM 1179 CA THR A 155 75.834 27.179 -13.326 1.00 25.00 C ATOM 1180 C THR A 155 75.073 26.943 -14.635 1.00 25.00 C ATOM 1181 O THR A 155 74.306 27.798 -15.068 1.00 25.00 O ATOM 1182 CB THR A 155 77.178 27.830 -13.747 1.00 25.00 C ATOM 1183 OG1 THR A 155 77.998 26.851 -14.399 1.00 25.00 O ATOM 1184 CG2 THR A 155 77.947 28.341 -12.533 1.00 25.00 C ATOM 0 H THR A 155 76.514 25.212 -12.981 1.00 25.00 H new ATOM 0 HA THR A 155 75.200 27.795 -12.688 1.00 25.00 H new ATOM 0 HB THR A 155 76.950 28.663 -14.412 1.00 25.00 H new ATOM 0 HG1 THR A 155 77.727 26.770 -15.337 1.00 25.00 H new ATOM 0 HG21 THR A 155 78.884 28.792 -12.859 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.348 29.087 -12.010 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.159 27.510 -11.860 1.00 25.00 H new ATOM 1192 N ASP A 156 75.343 25.837 -15.309 1.00 25.00 N ATOM 1193 CA ASP A 156 74.864 25.646 -16.678 1.00 25.00 C ATOM 1194 C ASP A 156 73.433 25.127 -16.726 1.00 25.00 C ATOM 1195 O ASP A 156 73.186 23.954 -16.467 1.00 25.00 O ATOM 1196 CB ASP A 156 75.749 24.636 -17.429 1.00 25.00 C ATOM 1197 CG ASP A 156 77.212 25.058 -17.505 1.00 25.00 C ATOM 1198 OD1 ASP A 156 77.542 26.228 -17.210 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.045 24.179 -17.839 1.00 25.00 O1- ATOM 0 H ASP A 156 75.888 25.059 -14.938 1.00 25.00 H new ATOM 0 HA ASP A 156 74.906 26.628 -17.150 1.00 25.00 H new ATOM 0 HB2 ASP A 156 75.683 23.667 -16.935 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.362 24.505 -18.440 1.00 25.00 H new ATOM 1204 N ASN A 157 72.495 25.963 -17.148 1.00 25.00 N ATOM 1205 CA ASN A 157 71.117 25.499 -17.355 1.00 25.00 C ATOM 1206 C ASN A 157 71.066 24.546 -18.543 1.00 25.00 C ATOM 1207 O ASN A 157 70.120 23.795 -18.706 1.00 25.00 O ATOM 1208 CB ASN A 157 70.168 26.665 -17.632 1.00 25.00 C ATOM 1209 CG ASN A 157 70.380 27.273 -18.993 1.00 25.00 C ATOM 1210 OD1 ASN A 157 71.457 27.754 -19.305 1.00 25.00 O ATOM 1211 ND2 ASN A 157 69.367 27.234 -19.814 1.00 25.00 N ATOM 0 H ASN A 157 72.651 26.950 -17.353 1.00 25.00 H new ATOM 0 HA ASN A 157 70.801 24.994 -16.442 1.00 25.00 H new ATOM 0 HB2 ASN A 157 69.138 26.318 -17.550 1.00 25.00 H new ATOM 0 HB3 ASN A 157 70.308 27.432 -16.870 1.00 25.00 H new ATOM 0 HD21 ASN A 157 69.459 27.615 -20.756 1.00 25.00 H new ATOM 0 HD22 ASN A 157 68.483 26.823 -19.514 1.00 25.00 H new ATOM 1218 N HIS A 158 72.115 24.587 -19.354 1.00 25.00 N ATOM 1219 CA HIS A 158 72.265 23.730 -20.527 1.00 25.00 C ATOM 1220 C HIS A 158 72.635 22.292 -20.125 1.00 25.00 C ATOM 1221 O HIS A 158 72.912 21.446 -20.968 1.00 25.00 O ATOM 1222 CB HIS A 158 73.355 24.330 -21.426 1.00 25.00 C ATOM 1223 CG HIS A 158 73.348 23.806 -22.828 1.00 25.00 C ATOM 1224 ND1 HIS A 158 72.329 24.004 -23.727 1.00 25.00 N ATOM 1225 CD2 HIS A 158 74.274 23.069 -23.501 1.00 25.00 C ATOM 1226 CE1 HIS A 158 72.663 23.407 -24.870 1.00 25.00 C ATOM 1227 NE2 HIS A 158 73.843 22.828 -24.790 1.00 25.00 N ATOM 0 H HIS A 158 72.898 25.225 -19.215 1.00 25.00 H new ATOM 0 HA HIS A 158 71.317 23.682 -21.062 1.00 25.00 H new ATOM 0 HB2 HIS A 158 73.233 25.413 -21.454 1.00 25.00 H new ATOM 0 HB3 HIS A 158 74.329 24.131 -20.980 1.00 25.00 H new ATOM 0 HD2 HIS A 158 75.210 22.723 -23.087 1.00 25.00 H new ATOM 0 HE1 HIS A 158 72.042 23.399 -25.754 1.00 25.00 H new ATOM 0 HE2 HIS A 158 74.332 22.313 -25.522 1.00 25.00 H new ATOM 1235 N ARG A 159 72.650 22.025 -18.825 1.00 25.00 N ATOM 1236 CA ARG A 159 72.946 20.695 -18.306 1.00 25.00 C ATOM 1237 C ARG A 159 71.843 20.256 -17.373 1.00 25.00 C ATOM 1238 O ARG A 159 71.359 21.034 -16.544 1.00 25.00 O ATOM 1239 CB ARG A 159 74.260 20.707 -17.530 1.00 25.00 C ATOM 1240 CG ARG A 159 75.485 20.861 -18.391 1.00 25.00 C ATOM 1241 CD ARG A 159 76.732 20.876 -17.525 1.00 25.00 C ATOM 1242 NE ARG A 159 77.945 20.926 -18.351 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.593 19.865 -18.821 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.219 18.633 -18.554 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.644 20.046 -19.572 1.00 25.00 N ATOM 0 H ARG A 159 72.458 22.720 -18.104 1.00 25.00 H new ATOM 0 HA ARG A 159 73.025 20.007 -19.148 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.234 21.522 -16.806 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.342 19.780 -16.963 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.540 20.042 -19.108 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.421 21.785 -18.966 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.706 21.738 -16.858 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.753 19.986 -16.895 1.00 25.00 H new ATOM 0 HE ARG A 159 78.319 21.846 -18.582 1.00 25.00 H new ATOM 0 HH11 ARG A 159 77.403 18.464 -17.966 1.00 25.00 H new ATOM 0 HH12 ARG A 159 78.745 17.846 -18.935 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.958 20.992 -19.791 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.152 19.242 -19.940 1.00 25.00 H new ATOM 1259 N SER A 160 71.495 18.986 -17.467 1.00 25.00 N ATOM 1260 CA SER A 160 70.585 18.381 -16.515 1.00 25.00 C ATOM 1261 C SER A 160 71.402 18.034 -15.282 1.00 25.00 C ATOM 1262 O SER A 160 72.631 18.005 -15.330 1.00 25.00 O ATOM 1263 CB SER A 160 69.950 17.126 -17.107 1.00 25.00 C ATOM 1264 OG SER A 160 70.939 16.176 -17.476 1.00 25.00 O ATOM 0 H SER A 160 71.830 18.354 -18.194 1.00 25.00 H new ATOM 0 HA SER A 160 69.775 19.065 -16.263 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.269 16.683 -16.381 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.355 17.393 -17.980 1.00 25.00 H new ATOM 0 HG SER A 160 70.505 15.381 -17.851 1.00 25.00 H new ATOM 1270 N LEU A 161 70.742 17.753 -14.174 1.00 25.00 N ATOM 1271 CA LEU A 161 71.450 17.416 -12.938 1.00 25.00 C ATOM 1272 C LEU A 161 72.237 16.105 -13.086 1.00 25.00 C ATOM 1273 O LEU A 161 73.343 15.959 -12.550 1.00 25.00 O ATOM 1274 CB LEU A 161 70.443 17.314 -11.793 1.00 25.00 C ATOM 1275 CG LEU A 161 69.685 18.620 -11.498 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.517 18.321 -10.588 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.604 19.672 -10.861 1.00 25.00 C ATOM 0 H LEU A 161 69.725 17.749 -14.097 1.00 25.00 H new ATOM 0 HA LEU A 161 72.170 18.204 -12.719 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.720 16.533 -12.029 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.967 17.000 -10.890 1.00 25.00 H new ATOM 0 HG LEU A 161 69.322 19.032 -12.440 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.976 19.243 -10.375 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.848 17.612 -11.076 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.883 17.892 -9.655 1.00 25.00 H new ATOM 0 HD21 LEU A 161 70.036 20.581 -10.666 1.00 25.00 H new ATOM 0 HD22 LEU A 161 71.004 19.286 -9.923 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.426 19.896 -11.541 1.00 25.00 H new ATOM 1289 N ALA A 162 71.712 15.178 -13.875 1.00 25.00 N ATOM 1290 CA ALA A 162 72.416 13.924 -14.145 1.00 25.00 C ATOM 1291 C ALA A 162 73.713 14.196 -14.914 1.00 25.00 C ATOM 1292 O ALA A 162 74.703 13.493 -14.743 1.00 25.00 O ATOM 1293 CB ALA A 162 71.521 12.970 -14.932 1.00 25.00 C ATOM 0 H ALA A 162 70.808 15.266 -14.338 1.00 25.00 H new ATOM 0 HA ALA A 162 72.668 13.456 -13.193 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.059 12.042 -15.125 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.622 12.755 -14.355 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.242 13.431 -15.879 1.00 25.00 H new ATOM 1299 N SER A 163 73.718 15.253 -15.717 1.00 25.00 N ATOM 1300 CA SER A 163 74.914 15.656 -16.464 1.00 25.00 C ATOM 1301 C SER A 163 75.981 16.233 -15.531 1.00 25.00 C ATOM 1302 O SER A 163 77.146 16.340 -15.913 1.00 25.00 O ATOM 1303 CB SER A 163 74.568 16.688 -17.537 1.00 25.00 C ATOM 1304 OG SER A 163 73.585 16.189 -18.429 1.00 25.00 O ATOM 0 H SER A 163 72.907 15.852 -15.871 1.00 25.00 H new ATOM 0 HA SER A 163 75.311 14.761 -16.944 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.205 17.600 -17.064 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.467 16.954 -18.093 1.00 25.00 H new ATOM 0 HG SER A 163 72.705 16.227 -18.000 1.00 25.00 H new ATOM 1310 N TYR A 164 75.586 16.599 -14.317 1.00 25.00 N ATOM 1311 CA TYR A 164 76.530 17.075 -13.304 1.00 25.00 C ATOM 1312 C TYR A 164 76.902 15.930 -12.363 1.00 25.00 C ATOM 1313 O TYR A 164 77.748 16.084 -11.490 1.00 25.00 O ATOM 1314 CB TYR A 164 75.912 18.208 -12.487 1.00 25.00 C ATOM 1315 CG TYR A 164 76.135 19.577 -13.067 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.395 20.200 -12.959 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.089 20.275 -13.699 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.609 21.504 -13.465 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.299 21.586 -14.204 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.561 22.189 -14.075 1.00 25.00 C ATOM 1321 OH TYR A 164 76.800 23.456 -14.537 1.00 25.00 O ATOM 0 H TYR A 164 74.615 16.576 -14.006 1.00 25.00 H new ATOM 0 HA TYR A 164 77.422 17.443 -13.812 1.00 25.00 H new ATOM 0 HB2 TYR A 164 74.840 18.034 -12.397 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.325 18.181 -11.479 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.209 19.674 -12.483 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.119 19.810 -13.801 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.581 21.966 -13.379 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.491 22.117 -14.685 1.00 25.00 H new ATOM 0 HH TYR A 164 77.392 23.414 -15.317 1.00 25.00 H new ATOM 1331 N GLY A 165 76.274 14.778 -12.557 1.00 25.00 N ATOM 1332 CA GLY A 165 76.546 13.615 -11.730 1.00 25.00 C ATOM 1333 C GLY A 165 75.719 13.548 -10.459 1.00 25.00 C ATOM 1334 O GLY A 165 76.060 12.787 -9.548 1.00 25.00 O ATOM 0 H GLY A 165 75.572 14.626 -13.281 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.363 12.715 -12.317 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.603 13.612 -11.463 1.00 25.00 H new ATOM 1338 N LEU A 166 74.633 14.309 -10.380 1.00 25.00 N ATOM 1339 CA LEU A 166 73.804 14.294 -9.170 1.00 25.00 C ATOM 1340 C LEU A 166 73.036 12.980 -9.039 1.00 25.00 C ATOM 1341 O LEU A 166 71.898 12.856 -9.479 1.00 25.00 O ATOM 1342 CB LEU A 166 72.813 15.468 -9.149 1.00 25.00 C ATOM 1343 CG LEU A 166 73.245 16.805 -8.525 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.602 16.622 -7.054 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.399 17.447 -9.266 1.00 25.00 C ATOM 0 H LEU A 166 74.307 14.932 -11.119 1.00 25.00 H new ATOM 0 HA LEU A 166 74.484 14.394 -8.324 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.519 15.667 -10.180 1.00 25.00 H new ATOM 0 HB3 LEU A 166 71.920 15.134 -8.621 1.00 25.00 H new ATOM 0 HG LEU A 166 72.393 17.479 -8.608 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.905 17.580 -6.631 1.00 25.00 H new ATOM 0 HD12 LEU A 166 72.734 16.245 -6.513 1.00 25.00 H new ATOM 0 HD13 LEU A 166 74.423 15.910 -6.965 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.663 18.388 -8.783 1.00 25.00 H new ATOM 0 HD22 LEU A 166 75.259 16.777 -9.251 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.107 17.639 -10.298 1.00 25.00 H new ATOM 1357 N LYS A 167 73.688 11.999 -8.435 1.00 25.00 N ATOM 1358 CA LYS A 167 73.065 10.703 -8.146 1.00 25.00 C ATOM 1359 C LYS A 167 72.007 10.829 -7.064 1.00 25.00 C ATOM 1360 O LYS A 167 72.055 11.725 -6.228 1.00 25.00 O ATOM 1361 CB LYS A 167 74.117 9.708 -7.670 1.00 25.00 C ATOM 1362 CG LYS A 167 75.108 9.340 -8.739 1.00 25.00 C ATOM 1363 CD LYS A 167 76.046 8.254 -8.245 1.00 25.00 C ATOM 1364 CE LYS A 167 77.070 7.898 -9.312 1.00 25.00 C ATOM 1365 NZ LYS A 167 76.389 7.386 -10.552 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.659 12.071 -8.130 1.00 25.00 H new ATOM 0 HA LYS A 167 72.599 10.354 -9.068 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.650 10.132 -6.819 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.620 8.804 -7.317 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.581 8.996 -9.629 1.00 25.00 H new ATOM 0 HG3 LYS A 167 75.682 10.220 -9.029 1.00 25.00 H new ATOM 0 HD2 LYS A 167 76.556 8.591 -7.343 1.00 25.00 H new ATOM 0 HD3 LYS A 167 75.473 7.367 -7.975 1.00 25.00 H new ATOM 0 HE2 LYS A 167 77.669 8.776 -9.556 1.00 25.00 H new ATOM 0 HE3 LYS A 167 77.755 7.142 -8.928 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 77.087 6.916 -11.163 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 75.649 6.706 -10.286 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 75.960 8.182 -11.066 1.00 25.00 H new ATOM 1379 N ASP A 168 71.083 9.886 -7.047 1.00 25.00 N ATOM 1380 CA ASP A 168 70.067 9.839 -6.009 1.00 25.00 C ATOM 1381 C ASP A 168 70.741 9.707 -4.646 1.00 25.00 C ATOM 1382 O ASP A 168 71.637 8.891 -4.447 1.00 25.00 O ATOM 1383 CB ASP A 168 69.082 8.680 -6.245 1.00 25.00 C ATOM 1384 CG ASP A 168 69.777 7.331 -6.458 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.540 7.192 -7.452 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.456 6.381 -5.717 1.00 25.00 O1- ATOM 0 H ASP A 168 71.014 9.141 -7.740 1.00 25.00 H new ATOM 0 HA ASP A 168 69.493 10.765 -6.038 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.409 8.604 -5.391 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.467 8.906 -7.116 1.00 25.00 H new ATOM 1391 N GLY A 169 70.329 10.571 -3.729 1.00 25.00 N ATOM 1392 CA GLY A 169 70.882 10.592 -2.386 1.00 25.00 C ATOM 1393 C GLY A 169 72.014 11.587 -2.207 1.00 25.00 C ATOM 1394 O GLY A 169 72.422 11.846 -1.076 1.00 25.00 O ATOM 0 H GLY A 169 69.607 11.272 -3.895 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.087 10.829 -1.679 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.244 9.595 -2.136 1.00 25.00 H new ATOM 1398 N ASP A 170 72.524 12.156 -3.291 1.00 25.00 N ATOM 1399 CA ASP A 170 73.629 13.112 -3.185 1.00 25.00 C ATOM 1400 C ASP A 170 73.148 14.465 -2.637 1.00 25.00 C ATOM 1401 O ASP A 170 71.938 14.748 -2.611 1.00 25.00 O ATOM 1402 CB ASP A 170 74.314 13.280 -4.539 1.00 25.00 C ATOM 1403 CG ASP A 170 75.816 13.448 -4.412 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.287 13.969 -3.376 1.00 25.00 O ATOM 1405 OD2 ASP A 170 76.535 13.068 -5.362 1.00 25.00 O1- ATOM 0 H ASP A 170 72.200 11.979 -4.242 1.00 25.00 H new ATOM 0 HA ASP A 170 74.356 12.715 -2.477 1.00 25.00 H new ATOM 0 HB2 ASP A 170 74.100 12.411 -5.161 1.00 25.00 H new ATOM 0 HB3 ASP A 170 73.896 14.148 -5.049 1.00 25.00 H new ATOM 1410 N VAL A 171 74.084 15.272 -2.151 1.00 25.00 N ATOM 1411 CA VAL A 171 73.760 16.510 -1.433 1.00 25.00 C ATOM 1412 C VAL A 171 74.242 17.781 -2.145 1.00 25.00 C ATOM 1413 O VAL A 171 75.416 17.919 -2.500 1.00 25.00 O ATOM 1414 CB VAL A 171 74.368 16.486 0.010 1.00 25.00 C ATOM 1415 CG1 VAL A 171 73.865 17.687 0.843 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.000 15.170 0.731 1.00 25.00 C ATOM 0 H VAL A 171 75.084 15.093 -2.240 1.00 25.00 H new ATOM 0 HA VAL A 171 72.671 16.546 -1.395 1.00 25.00 H new ATOM 0 HB VAL A 171 75.452 16.554 -0.086 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.302 17.646 1.841 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.159 18.617 0.356 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.779 17.646 0.921 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.431 15.171 1.732 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.916 15.085 0.803 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.393 14.324 0.167 1.00 25.00 H new ATOM 1426 N VAL A 172 73.329 18.729 -2.300 1.00 25.00 N ATOM 1427 CA VAL A 172 73.618 20.042 -2.874 1.00 25.00 C ATOM 1428 C VAL A 172 73.665 21.045 -1.722 1.00 25.00 C ATOM 1429 O VAL A 172 72.879 20.950 -0.788 1.00 25.00 O ATOM 1430 CB VAL A 172 72.501 20.455 -3.878 1.00 25.00 C ATOM 1431 CG1 VAL A 172 72.814 21.808 -4.518 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.353 19.399 -4.973 1.00 25.00 C ATOM 0 H VAL A 172 72.353 18.610 -2.028 1.00 25.00 H new ATOM 0 HA VAL A 172 74.566 20.017 -3.412 1.00 25.00 H new ATOM 0 HB VAL A 172 71.567 20.536 -3.323 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.019 22.074 -5.215 1.00 25.00 H new ATOM 0 HG12 VAL A 172 72.886 22.570 -3.742 1.00 25.00 H new ATOM 0 HG13 VAL A 172 73.761 21.746 -5.054 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.569 19.702 -5.667 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.295 19.299 -5.512 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.089 18.442 -4.522 1.00 25.00 H new ATOM 1442 N ILE A 173 74.579 22.003 -1.779 1.00 25.00 N ATOM 1443 CA ILE A 173 74.724 23.007 -0.723 1.00 25.00 C ATOM 1444 C ILE A 173 74.426 24.385 -1.317 1.00 25.00 C ATOM 1445 O ILE A 173 74.954 24.751 -2.363 1.00 25.00 O ATOM 1446 CB ILE A 173 76.164 22.954 -0.127 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.348 21.633 0.652 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.447 24.186 0.781 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.801 21.316 1.043 1.00 25.00 C ATOM 0 H ILE A 173 75.238 22.110 -2.550 1.00 25.00 H new ATOM 0 HA ILE A 173 74.023 22.805 0.087 1.00 25.00 H new ATOM 0 HB ILE A 173 76.885 22.988 -0.944 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.743 21.674 1.558 1.00 25.00 H new ATOM 0 HG13 ILE A 173 75.962 20.813 0.047 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.459 24.119 1.181 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.348 25.100 0.195 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.732 24.203 1.604 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.834 20.371 1.586 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.411 21.239 0.143 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.189 22.113 1.678 1.00 25.00 H new ATOM 1461 N LEU A 174 73.583 25.150 -0.640 1.00 25.00 N ATOM 1462 CA LEU A 174 73.228 26.502 -1.069 1.00 25.00 C ATOM 1463 C LEU A 174 73.545 27.469 0.070 1.00 25.00 C ATOM 1464 O LEU A 174 73.333 27.147 1.233 1.00 25.00 O ATOM 1465 CB LEU A 174 71.738 26.558 -1.438 1.00 25.00 C ATOM 1466 CG LEU A 174 71.227 27.931 -1.910 1.00 25.00 C ATOM 1467 CD1 LEU A 174 70.324 27.791 -3.124 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.463 28.628 -0.788 1.00 25.00 C ATOM 0 H LEU A 174 73.124 24.855 0.222 1.00 25.00 H new ATOM 0 HA LEU A 174 73.802 26.784 -1.952 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.548 25.828 -2.225 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.154 26.250 -0.570 1.00 25.00 H new ATOM 0 HG LEU A 174 72.094 28.531 -2.186 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.978 28.776 -3.436 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.879 27.327 -3.939 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.466 27.169 -2.869 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.108 29.598 -1.137 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.612 28.015 -0.492 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.123 28.770 0.068 1.00 25.00 H new ATOM 1480 N ARG A 175 74.063 28.644 -0.259 1.00 25.00 N ATOM 1481 CA ARG A 175 74.386 29.664 0.745 1.00 25.00 C ATOM 1482 C ARG A 175 73.862 31.022 0.325 1.00 25.00 C ATOM 1483 O ARG A 175 74.208 31.524 -0.738 1.00 25.00 O ATOM 1484 CB ARG A 175 75.901 29.759 0.941 1.00 25.00 C ATOM 1485 CG ARG A 175 76.478 28.582 1.698 1.00 25.00 C ATOM 1486 CD ARG A 175 77.964 28.764 1.964 1.00 25.00 C ATOM 1487 NE ARG A 175 78.462 27.742 2.902 1.00 25.00 N ATOM 1488 CZ ARG A 175 78.447 27.842 4.230 1.00 25.00 C ATOM 1489 NH1 ARG A 175 77.990 28.904 4.850 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 78.900 26.853 4.947 1.00 25.00 N ATOM 0 H ARG A 175 74.272 28.921 -1.218 1.00 25.00 H new ATOM 0 HA ARG A 175 73.910 29.369 1.680 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.384 29.828 -0.034 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.135 30.678 1.478 1.00 25.00 H new ATOM 0 HG2 ARG A 175 75.950 28.463 2.644 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.319 27.667 1.127 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.515 28.701 1.026 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.145 29.758 2.374 1.00 25.00 H new ATOM 0 HE ARG A 175 78.850 26.888 2.501 1.00 25.00 H new ATOM 0 HH11 ARG A 175 77.629 29.692 4.313 1.00 25.00 H new ATOM 0 HH12 ARG A 175 77.996 28.941 5.869 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.260 26.015 4.490 1.00 25.00 H new ATOM 0 HH22 ARG A 175 78.894 26.917 5.965 1.00 25.00 H new ATOM 1504 N GLN A 176 73.053 31.638 1.189 1.00 25.00 N ATOM 1505 CA GLN A 176 72.552 33.003 0.953 1.00 25.00 C ATOM 1506 C GLN A 176 73.619 34.034 1.345 1.00 25.00 C ATOM 1507 O GLN A 176 74.219 33.997 2.406 1.00 25.00 O ATOM 1508 CB GLN A 176 71.221 33.269 1.695 1.00 25.00 C ATOM 1509 CG GLN A 176 70.575 34.568 1.165 1.00 25.00 C ATOM 1510 CD GLN A 176 69.255 34.872 1.812 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.039 34.786 3.001 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.304 35.288 0.996 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.852 34.865 0.511 1.00 25.00 O ATOM 0 H GLN A 176 72.728 31.218 2.060 1.00 25.00 H new ATOM 0 HA GLN A 176 72.344 33.102 -0.112 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.541 32.429 1.552 1.00 25.00 H new ATOM 0 HB3 GLN A 176 71.402 33.353 2.766 1.00 25.00 H new ATOM 0 HG2 GLN A 176 71.257 35.402 1.334 1.00 25.00 H new ATOM 0 HG3 GLN A 176 70.435 34.484 0.087 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.486 35.360 -0.005 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.387 35.537 1.367 1.00 25.00 H new TER 1523 GLN A 176