USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=20 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 107 CYS SG : rot 178:sc= 0.949 USER MOD Set 1.2: A 138 SER OG : rot 83:sc= 1.99 USER MOD Set 2.1: A 128 HIS : no HE2:sc= 1.15 K(o=2.1,f=-6.8!) USER MOD Set 2.2: A 129 ASN : amide:sc= 0.993 K(o=2.1,f=-2.1!) USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.14) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 85 HIS : no HE2:sc= 0.152 K(o=0.15,f=-0.68) USER MOD Single : A 86 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 87 HIS : no HE2:sc= -0.0162 K(o=-0.016,f=-2.2) USER MOD Single : A 88 HIS : no HD1:sc=-0.00967 X(o=-0.0097,f=-0.0097) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=-0.0045) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-1.5) USER MOD Single : A 100 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.025) USER MOD Single : A 101 MET CE :methyl -172:sc= -0.0452 (180deg=-0.171) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0523 USER MOD Single : A 116 THR OG1 : rot 30:sc= 0.993 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 CYS SG : rot -26:sc= 0.989 USER MOD Single : A 145 SER OG : rot -44:sc= 0.757 USER MOD Single : A 146 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.37) USER MOD Single : A 149 TYR OH : rot 93:sc= 0.267 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 157 ASN : amide:sc= -0.796 K(o=-0.8,f=-1.7!) USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 160 SER OG : rot -159:sc= 1.39 USER MOD Single : A 163 SER OG : rot 170:sc= -0.236 USER MOD Single : A 164 TYR OH : rot -102:sc= 0.678 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 1.39 K(o=1.4,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 20.195 -11.684 10.864 1.00 25.00 N ATOM 2 CA MET A 80 20.015 -10.552 11.815 1.00 25.00 C ATOM 3 C MET A 80 20.694 -9.286 11.342 1.00 25.00 C ATOM 4 O MET A 80 20.303 -8.163 11.577 1.00 25.00 O ATOM 5 CB MET A 80 20.574 -10.936 13.194 1.00 25.00 C ATOM 6 CG MET A 80 19.827 -12.141 13.783 1.00 25.00 C ATOM 7 SD MET A 80 20.418 -12.538 15.457 1.00 25.00 S ATOM 8 CE MET A 80 19.505 -14.084 15.769 1.00 25.00 C ATOM 0 HA MET A 80 18.945 -10.354 11.877 1.00 25.00 H new ATOM 0 HB2 MET A 80 21.635 -11.171 13.106 1.00 25.00 H new ATOM 0 HB3 MET A 80 20.490 -10.087 13.872 1.00 25.00 H new ATOM 0 HG2 MET A 80 18.758 -11.928 13.814 1.00 25.00 H new ATOM 0 HG3 MET A 80 19.961 -13.006 13.134 1.00 25.00 H new ATOM 0 HE1 MET A 80 19.756 -14.461 16.760 1.00 25.00 H new ATOM 0 HE2 MET A 80 18.434 -13.891 15.715 1.00 25.00 H new ATOM 0 HE3 MET A 80 19.778 -14.826 15.019 1.00 25.00 H new ATOM 18 N GLY A 81 21.775 -9.523 10.595 1.00 25.00 N ATOM 19 CA GLY A 81 22.630 -8.486 10.031 1.00 25.00 C ATOM 20 C GLY A 81 22.082 -7.906 8.742 1.00 25.00 C ATOM 21 O GLY A 81 22.808 -7.743 7.772 1.00 25.00 O ATOM 0 H GLY A 81 22.084 -10.467 10.362 1.00 25.00 H new ATOM 0 HA2 GLY A 81 22.751 -7.686 10.761 1.00 25.00 H new ATOM 0 HA3 GLY A 81 23.621 -8.901 9.845 1.00 25.00 H new ATOM 25 N HIS A 82 20.793 -7.604 8.729 1.00 25.00 N ATOM 26 CA HIS A 82 20.105 -7.130 7.524 1.00 25.00 C ATOM 27 C HIS A 82 20.612 -5.779 7.016 1.00 25.00 C ATOM 28 O HIS A 82 20.330 -5.389 5.893 1.00 25.00 O ATOM 29 CB HIS A 82 18.607 -7.020 7.818 1.00 25.00 C ATOM 30 CG HIS A 82 18.055 -8.203 8.550 1.00 25.00 C ATOM 31 ND1 HIS A 82 17.377 -8.128 9.740 1.00 25.00 N ATOM 32 CD2 HIS A 82 18.094 -9.531 8.251 1.00 25.00 C ATOM 33 CE1 HIS A 82 17.041 -9.359 10.108 1.00 25.00 C ATOM 34 NE2 HIS A 82 17.462 -10.258 9.241 1.00 25.00 N ATOM 0 H HIS A 82 20.190 -7.678 9.548 1.00 25.00 H new ATOM 0 HA HIS A 82 20.310 -7.858 6.739 1.00 25.00 H new ATOM 0 HB2 HIS A 82 18.425 -6.121 8.407 1.00 25.00 H new ATOM 0 HB3 HIS A 82 18.068 -6.900 6.878 1.00 25.00 H new ATOM 0 HD2 HIS A 82 18.552 -9.954 7.369 1.00 25.00 H new ATOM 0 HE1 HIS A 82 16.491 -9.594 11.007 1.00 25.00 H new ATOM 0 HE2 HIS A 82 17.346 -11.270 9.290 1.00 25.00 H new ATOM 42 N HIS A 83 21.354 -5.070 7.857 1.00 25.00 N ATOM 43 CA HIS A 83 21.905 -3.762 7.503 1.00 25.00 C ATOM 44 C HIS A 83 23.420 -3.748 7.712 1.00 25.00 C ATOM 45 O HIS A 83 24.023 -2.696 7.914 1.00 25.00 O ATOM 46 CB HIS A 83 21.242 -2.676 8.357 1.00 25.00 C ATOM 47 CG HIS A 83 19.746 -2.752 8.367 1.00 25.00 C ATOM 48 ND1 HIS A 83 18.977 -2.751 9.505 1.00 25.00 N ATOM 49 CD2 HIS A 83 18.854 -2.841 7.339 1.00 25.00 C ATOM 50 CE1 HIS A 83 17.700 -2.835 9.145 1.00 25.00 C ATOM 51 NE2 HIS A 83 17.567 -2.898 7.836 1.00 25.00 N ATOM 0 H HIS A 83 21.592 -5.380 8.799 1.00 25.00 H new ATOM 0 HA HIS A 83 21.701 -3.564 6.451 1.00 25.00 H new ATOM 0 HB2 HIS A 83 21.609 -2.756 9.380 1.00 25.00 H new ATOM 0 HB3 HIS A 83 21.545 -1.697 7.985 1.00 25.00 H new ATOM 0 HD2 HIS A 83 19.116 -2.864 6.291 1.00 25.00 H new ATOM 0 HE1 HIS A 83 16.874 -2.850 9.840 1.00 25.00 H new ATOM 0 HE2 HIS A 83 16.700 -2.973 7.304 1.00 25.00 H new ATOM 59 N HIS A 84 24.030 -4.925 7.710 1.00 25.00 N ATOM 60 CA HIS A 84 25.474 -5.026 7.896 1.00 25.00 C ATOM 61 C HIS A 84 26.167 -4.709 6.572 1.00 25.00 C ATOM 62 O HIS A 84 25.779 -5.221 5.528 1.00 25.00 O ATOM 63 CB HIS A 84 25.852 -6.434 8.364 1.00 25.00 C ATOM 64 CG HIS A 84 27.284 -6.563 8.784 1.00 25.00 C ATOM 65 ND1 HIS A 84 28.337 -6.709 7.916 1.00 25.00 N ATOM 66 CD2 HIS A 84 27.846 -6.555 10.023 1.00 25.00 C ATOM 67 CE1 HIS A 84 29.457 -6.772 8.630 1.00 25.00 C ATOM 68 NE2 HIS A 84 29.215 -6.690 9.923 1.00 25.00 N ATOM 0 H HIS A 84 23.554 -5.818 7.583 1.00 25.00 H new ATOM 0 HA HIS A 84 25.794 -4.315 8.658 1.00 25.00 H new ATOM 0 HB2 HIS A 84 25.211 -6.714 9.199 1.00 25.00 H new ATOM 0 HB3 HIS A 84 25.653 -7.141 7.558 1.00 25.00 H new ATOM 0 HD2 HIS A 84 27.300 -6.457 10.950 1.00 25.00 H new ATOM 0 HE1 HIS A 84 30.443 -6.877 8.203 1.00 25.00 H new ATOM 0 HE2 HIS A 84 29.893 -6.720 10.684 1.00 25.00 H new ATOM 76 N HIS A 85 27.196 -3.877 6.624 1.00 25.00 N ATOM 77 CA HIS A 85 27.955 -3.494 5.434 1.00 25.00 C ATOM 78 C HIS A 85 29.418 -3.796 5.726 1.00 25.00 C ATOM 79 O HIS A 85 29.809 -3.866 6.888 1.00 25.00 O ATOM 80 CB HIS A 85 27.755 -2.007 5.130 1.00 25.00 C ATOM 81 CG HIS A 85 26.359 -1.664 4.704 1.00 25.00 C ATOM 82 ND1 HIS A 85 25.300 -1.492 5.561 1.00 25.00 N ATOM 83 CD2 HIS A 85 25.838 -1.471 3.460 1.00 25.00 C ATOM 84 CE1 HIS A 85 24.221 -1.213 4.840 1.00 25.00 C ATOM 85 NE2 HIS A 85 24.491 -1.180 3.552 1.00 25.00 N ATOM 0 H HIS A 85 27.531 -3.448 7.487 1.00 25.00 H new ATOM 0 HA HIS A 85 27.617 -4.048 4.559 1.00 25.00 H new ATOM 0 HB2 HIS A 85 28.008 -1.426 6.017 1.00 25.00 H new ATOM 0 HB3 HIS A 85 28.449 -1.709 4.344 1.00 25.00 H new ATOM 0 HD1 HIS A 85 25.336 -1.566 6.578 1.00 25.00 H new ATOM 0 HD2 HIS A 85 26.396 -1.536 2.538 1.00 25.00 H new ATOM 0 HE1 HIS A 85 23.242 -1.035 5.259 1.00 25.00 H new ATOM 93 N HIS A 86 30.211 -4.025 4.689 1.00 25.00 N ATOM 94 CA HIS A 86 31.606 -4.416 4.863 1.00 25.00 C ATOM 95 C HIS A 86 32.398 -4.039 3.616 1.00 25.00 C ATOM 96 O HIS A 86 31.797 -3.661 2.610 1.00 25.00 O ATOM 97 CB HIS A 86 31.681 -5.932 5.092 1.00 25.00 C ATOM 98 CG HIS A 86 32.816 -6.350 5.972 1.00 25.00 C ATOM 99 ND1 HIS A 86 33.777 -7.264 5.622 1.00 25.00 N ATOM 100 CD2 HIS A 86 33.137 -5.970 7.241 1.00 25.00 C ATOM 101 CE1 HIS A 86 34.616 -7.400 6.645 1.00 25.00 C ATOM 102 NE2 HIS A 86 34.276 -6.630 7.657 1.00 25.00 N ATOM 0 H HIS A 86 29.913 -3.947 3.716 1.00 25.00 H new ATOM 0 HA HIS A 86 32.030 -3.900 5.724 1.00 25.00 H new ATOM 0 HB2 HIS A 86 30.745 -6.271 5.536 1.00 25.00 H new ATOM 0 HB3 HIS A 86 31.776 -6.432 4.128 1.00 25.00 H new ATOM 0 HD2 HIS A 86 32.582 -5.258 7.834 1.00 25.00 H new ATOM 0 HE1 HIS A 86 35.471 -8.060 6.645 1.00 25.00 H new ATOM 0 HE2 HIS A 86 34.752 -6.540 8.555 1.00 25.00 H new ATOM 110 N HIS A 87 33.720 -4.198 3.688 1.00 25.00 N ATOM 111 CA HIS A 87 34.657 -3.917 2.581 1.00 25.00 C ATOM 112 C HIS A 87 34.735 -2.417 2.238 1.00 25.00 C ATOM 113 O HIS A 87 34.050 -1.592 2.839 1.00 25.00 O ATOM 114 CB HIS A 87 34.301 -4.761 1.339 1.00 25.00 C ATOM 115 CG HIS A 87 35.481 -5.114 0.485 1.00 25.00 C ATOM 116 ND1 HIS A 87 35.814 -4.477 -0.684 1.00 25.00 N ATOM 117 CD2 HIS A 87 36.426 -6.081 0.638 1.00 25.00 C ATOM 118 CE1 HIS A 87 36.907 -5.048 -1.176 1.00 25.00 C ATOM 119 NE2 HIS A 87 37.328 -6.031 -0.407 1.00 25.00 N ATOM 0 H HIS A 87 34.187 -4.532 4.531 1.00 25.00 H new ATOM 0 HA HIS A 87 35.652 -4.206 2.921 1.00 25.00 H new ATOM 0 HB2 HIS A 87 33.813 -5.680 1.664 1.00 25.00 H new ATOM 0 HB3 HIS A 87 33.579 -4.213 0.734 1.00 25.00 H new ATOM 0 HD1 HIS A 87 35.308 -3.697 -1.104 1.00 25.00 H new ATOM 0 HD2 HIS A 87 36.465 -6.785 1.457 1.00 25.00 H new ATOM 0 HE1 HIS A 87 37.391 -4.744 -2.093 1.00 25.00 H new ATOM 127 N HIS A 88 35.615 -2.073 1.306 1.00 25.00 N ATOM 128 CA HIS A 88 35.839 -0.684 0.902 1.00 25.00 C ATOM 129 C HIS A 88 35.911 -0.621 -0.620 1.00 25.00 C ATOM 130 O HIS A 88 36.033 -1.652 -1.277 1.00 25.00 O ATOM 131 CB HIS A 88 37.146 -0.166 1.507 1.00 25.00 C ATOM 132 CG HIS A 88 37.220 -0.314 2.996 1.00 25.00 C ATOM 133 ND1 HIS A 88 36.456 0.398 3.888 1.00 25.00 N ATOM 134 CD2 HIS A 88 37.988 -1.133 3.766 1.00 25.00 C ATOM 135 CE1 HIS A 88 36.774 0.001 5.116 1.00 25.00 C ATOM 136 NE2 HIS A 88 37.705 -0.931 5.102 1.00 25.00 N ATOM 0 H HIS A 88 36.195 -2.747 0.807 1.00 25.00 H new ATOM 0 HA HIS A 88 35.020 -0.061 1.260 1.00 25.00 H new ATOM 0 HB2 HIS A 88 37.982 -0.700 1.056 1.00 25.00 H new ATOM 0 HB3 HIS A 88 37.264 0.886 1.249 1.00 25.00 H new ATOM 0 HD2 HIS A 88 38.713 -1.838 3.387 1.00 25.00 H new ATOM 0 HE1 HIS A 88 36.324 0.394 6.016 1.00 25.00 H new ATOM 0 HE2 HIS A 88 38.125 -1.401 5.904 1.00 25.00 H new ATOM 144 N HIS A 89 35.848 0.578 -1.179 1.00 25.00 N ATOM 145 CA HIS A 89 35.859 0.761 -2.634 1.00 25.00 C ATOM 146 C HIS A 89 37.161 1.422 -3.083 1.00 25.00 C ATOM 147 O HIS A 89 37.187 2.584 -3.478 1.00 25.00 O ATOM 148 CB HIS A 89 34.646 1.594 -3.055 1.00 25.00 C ATOM 149 CG HIS A 89 33.340 1.013 -2.607 1.00 25.00 C ATOM 150 ND1 HIS A 89 32.276 1.753 -2.158 1.00 25.00 N ATOM 151 CD2 HIS A 89 32.926 -0.284 -2.530 1.00 25.00 C ATOM 152 CE1 HIS A 89 31.293 0.915 -1.834 1.00 25.00 C ATOM 153 NE2 HIS A 89 31.636 -0.340 -2.041 1.00 25.00 N ATOM 0 H HIS A 89 35.788 1.447 -0.649 1.00 25.00 H new ATOM 0 HA HIS A 89 35.799 -0.214 -3.118 1.00 25.00 H new ATOM 0 HB2 HIS A 89 34.746 2.600 -2.647 1.00 25.00 H new ATOM 0 HB3 HIS A 89 34.639 1.689 -4.141 1.00 25.00 H new ATOM 0 HD2 HIS A 89 33.520 -1.141 -2.810 1.00 25.00 H new ATOM 0 HE1 HIS A 89 30.333 1.226 -1.449 1.00 25.00 H new ATOM 0 HE2 HIS A 89 31.071 -1.173 -1.876 1.00 25.00 H new ATOM 161 N HIS A 90 38.253 0.685 -2.953 1.00 25.00 N ATOM 162 CA HIS A 90 39.569 1.197 -3.321 1.00 25.00 C ATOM 163 C HIS A 90 39.779 1.073 -4.827 1.00 25.00 C ATOM 164 O HIS A 90 39.506 0.028 -5.413 1.00 25.00 O ATOM 165 CB HIS A 90 40.659 0.410 -2.590 1.00 0.00 C ATOM 166 CG HIS A 90 40.611 0.561 -1.101 1.00 25.00 C ATOM 167 ND1 HIS A 90 41.143 -0.341 -0.214 1.00 25.00 N ATOM 168 CD2 HIS A 90 40.094 1.555 -0.325 1.00 25.00 C ATOM 169 CE1 HIS A 90 40.936 0.114 1.018 1.00 25.00 C ATOM 170 NE2 HIS A 90 40.294 1.263 1.009 1.00 25.00 N ATOM 0 H HIS A 90 38.257 -0.270 -2.596 1.00 25.00 H new ATOM 0 HA HIS A 90 39.627 2.247 -3.035 1.00 25.00 H new ATOM 0 HB2 HIS A 90 40.565 -0.646 -2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 90 41.635 0.738 -2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 90 39.601 2.440 -0.699 1.00 25.00 H new ATOM 0 HE1 HIS A 90 41.255 -0.396 1.915 1.00 25.00 H new ATOM 0 HE2 HIS A 90 40.006 1.818 1.815 1.00 25.00 H new ATOM 178 N HIS A 91 40.292 2.132 -5.436 1.00 25.00 N ATOM 179 CA HIS A 91 40.595 2.157 -6.863 1.00 25.00 C ATOM 180 C HIS A 91 41.924 2.890 -7.005 1.00 25.00 C ATOM 181 O HIS A 91 42.296 3.648 -6.113 1.00 25.00 O ATOM 182 CB HIS A 91 39.495 2.900 -7.629 1.00 25.00 C ATOM 183 CG HIS A 91 38.161 2.221 -7.570 1.00 25.00 C ATOM 184 ND1 HIS A 91 37.788 1.174 -8.376 1.00 25.00 N ATOM 185 CD2 HIS A 91 37.084 2.444 -6.762 1.00 25.00 C ATOM 186 CE1 HIS A 91 36.553 0.812 -8.045 1.00 25.00 C ATOM 187 NE2 HIS A 91 36.072 1.554 -7.068 1.00 25.00 N ATOM 0 H HIS A 91 40.512 3.003 -4.953 1.00 25.00 H new ATOM 0 HA HIS A 91 40.652 1.148 -7.272 1.00 25.00 H new ATOM 0 HB2 HIS A 91 39.399 3.908 -7.224 1.00 25.00 H new ATOM 0 HB3 HIS A 91 39.796 3.003 -8.672 1.00 25.00 H new ATOM 0 HD2 HIS A 91 37.030 3.204 -5.996 1.00 25.00 H new ATOM 0 HE1 HIS A 91 36.010 0.008 -8.519 1.00 25.00 H new ATOM 0 HE2 HIS A 91 35.152 1.486 -6.632 1.00 25.00 H new ATOM 195 N SER A 92 42.633 2.659 -8.101 1.00 25.00 N ATOM 196 CA SER A 92 43.920 3.309 -8.346 1.00 25.00 C ATOM 197 C SER A 92 44.141 3.364 -9.852 1.00 25.00 C ATOM 198 O SER A 92 43.524 2.592 -10.591 1.00 25.00 O ATOM 199 CB SER A 92 45.052 2.514 -7.689 1.00 25.00 C ATOM 200 OG SER A 92 46.283 3.206 -7.802 1.00 25.00 O ATOM 0 H SER A 92 42.339 2.022 -8.842 1.00 25.00 H new ATOM 0 HA SER A 92 43.915 4.313 -7.921 1.00 25.00 H new ATOM 0 HB2 SER A 92 44.820 2.344 -6.638 1.00 25.00 H new ATOM 0 HB3 SER A 92 45.136 1.534 -8.160 1.00 25.00 H new ATOM 0 HG SER A 92 46.993 2.683 -7.375 1.00 25.00 H new ATOM 206 N SER A 93 45.015 4.254 -10.296 1.00 25.00 N ATOM 207 CA SER A 93 45.368 4.387 -11.706 1.00 25.00 C ATOM 208 C SER A 93 46.784 4.940 -11.750 1.00 25.00 C ATOM 209 O SER A 93 47.167 5.692 -10.858 1.00 25.00 O ATOM 210 CB SER A 93 44.410 5.350 -12.405 1.00 25.00 C ATOM 211 OG SER A 93 44.378 6.599 -11.733 1.00 25.00 O ATOM 0 H SER A 93 45.504 4.910 -9.686 1.00 25.00 H new ATOM 0 HA SER A 93 45.302 3.426 -12.216 1.00 25.00 H new ATOM 0 HB2 SER A 93 44.722 5.495 -13.439 1.00 25.00 H new ATOM 0 HB3 SER A 93 43.409 4.920 -12.432 1.00 25.00 H new ATOM 0 HG SER A 93 43.761 7.204 -12.195 1.00 25.00 H new ATOM 217 N GLY A 94 47.553 4.558 -12.759 1.00 25.00 N ATOM 218 CA GLY A 94 48.955 4.951 -12.827 1.00 25.00 C ATOM 219 C GLY A 94 49.783 3.972 -12.017 1.00 25.00 C ATOM 220 O GLY A 94 49.220 3.153 -11.281 1.00 25.00 O ATOM 0 H GLY A 94 47.234 3.981 -13.537 1.00 25.00 H new ATOM 0 HA2 GLY A 94 49.293 4.962 -13.863 1.00 25.00 H new ATOM 0 HA3 GLY A 94 49.082 5.962 -12.439 1.00 25.00 H new ATOM 224 N HIS A 95 51.099 4.012 -12.157 1.00 25.00 N ATOM 225 CA HIS A 95 51.968 3.090 -11.433 1.00 25.00 C ATOM 226 C HIS A 95 53.361 3.695 -11.264 1.00 25.00 C ATOM 227 O HIS A 95 53.554 4.884 -11.467 1.00 25.00 O ATOM 228 CB HIS A 95 52.048 1.754 -12.189 1.00 25.00 C ATOM 229 CG HIS A 95 52.340 0.583 -11.303 1.00 25.00 C ATOM 230 ND1 HIS A 95 53.446 -0.222 -11.418 1.00 25.00 N ATOM 231 CD2 HIS A 95 51.645 0.080 -10.244 1.00 25.00 C ATOM 232 CE1 HIS A 95 53.390 -1.146 -10.464 1.00 25.00 C ATOM 233 NE2 HIS A 95 52.314 -1.007 -9.716 1.00 25.00 N ATOM 0 H HIS A 95 51.590 4.670 -12.763 1.00 25.00 H new ATOM 0 HA HIS A 95 51.552 2.911 -10.442 1.00 25.00 H new ATOM 0 HB2 HIS A 95 51.104 1.581 -12.707 1.00 25.00 H new ATOM 0 HB3 HIS A 95 52.822 1.824 -12.953 1.00 25.00 H new ATOM 0 HD2 HIS A 95 50.710 0.473 -9.873 1.00 25.00 H new ATOM 0 HE1 HIS A 95 54.134 -1.915 -10.320 1.00 25.00 H new ATOM 0 HE2 HIS A 95 52.035 -1.579 -8.919 1.00 25.00 H new ATOM 241 N ILE A 96 54.333 2.869 -10.907 1.00 25.00 N ATOM 242 CA ILE A 96 55.721 3.309 -10.839 1.00 25.00 C ATOM 243 C ILE A 96 56.213 3.374 -12.281 1.00 25.00 C ATOM 244 O ILE A 96 56.349 2.347 -12.951 1.00 25.00 O ATOM 245 CB ILE A 96 56.610 2.332 -10.012 1.00 25.00 C ATOM 246 CG1 ILE A 96 56.050 2.194 -8.579 1.00 25.00 C ATOM 247 CG2 ILE A 96 58.083 2.837 -9.980 1.00 25.00 C ATOM 248 CD1 ILE A 96 56.705 1.081 -7.743 1.00 25.00 C ATOM 0 H ILE A 96 54.188 1.890 -10.660 1.00 25.00 H new ATOM 0 HA ILE A 96 55.785 4.274 -10.336 1.00 25.00 H new ATOM 0 HB ILE A 96 56.595 1.351 -10.487 1.00 25.00 H new ATOM 0 HG12 ILE A 96 56.177 3.144 -8.060 1.00 25.00 H new ATOM 0 HG13 ILE A 96 54.978 2.004 -8.638 1.00 25.00 H new ATOM 0 HG21 ILE A 96 58.692 2.145 -9.399 1.00 25.00 H new ATOM 0 HG22 ILE A 96 58.470 2.895 -10.997 1.00 25.00 H new ATOM 0 HG23 ILE A 96 58.119 3.825 -9.521 1.00 25.00 H new ATOM 0 HD11 ILE A 96 56.251 1.055 -6.752 1.00 25.00 H new ATOM 0 HD12 ILE A 96 56.555 0.120 -8.235 1.00 25.00 H new ATOM 0 HD13 ILE A 96 57.773 1.278 -7.648 1.00 25.00 H new ATOM 260 N GLU A 97 56.432 4.587 -12.761 1.00 25.00 N ATOM 261 CA GLU A 97 56.831 4.841 -14.137 1.00 25.00 C ATOM 262 C GLU A 97 57.643 6.137 -14.122 1.00 25.00 C ATOM 263 O GLU A 97 57.746 6.779 -13.078 1.00 25.00 O ATOM 264 CB GLU A 97 55.586 4.935 -15.042 1.00 25.00 C ATOM 265 CG GLU A 97 54.559 6.003 -14.649 1.00 25.00 C ATOM 266 CD GLU A 97 53.169 5.675 -15.196 1.00 25.00 C ATOM 267 OE1 GLU A 97 53.027 5.578 -16.434 1.00 25.00 O ATOM 268 OE2 GLU A 97 52.226 5.470 -14.387 1.00 25.00 O1- ATOM 0 H GLU A 97 56.337 5.434 -12.200 1.00 25.00 H new ATOM 0 HA GLU A 97 57.438 4.032 -14.543 1.00 25.00 H new ATOM 0 HB2 GLU A 97 55.915 5.131 -16.062 1.00 25.00 H new ATOM 0 HB3 GLU A 97 55.090 3.965 -15.048 1.00 25.00 H new ATOM 0 HG2 GLU A 97 54.514 6.083 -13.563 1.00 25.00 H new ATOM 0 HG3 GLU A 97 54.880 6.974 -15.027 1.00 25.00 H new ATOM 275 N GLY A 98 58.260 6.488 -15.245 1.00 25.00 N ATOM 276 CA GLY A 98 59.127 7.659 -15.291 1.00 25.00 C ATOM 277 C GLY A 98 60.531 7.317 -14.817 1.00 25.00 C ATOM 278 O GLY A 98 60.865 6.134 -14.659 1.00 25.00 O ATOM 0 H GLY A 98 58.177 5.984 -16.128 1.00 25.00 H new ATOM 0 HA2 GLY A 98 59.167 8.046 -16.309 1.00 25.00 H new ATOM 0 HA3 GLY A 98 58.711 8.449 -14.666 1.00 25.00 H new ATOM 282 N ARG A 99 61.375 8.324 -14.609 1.00 25.00 N ATOM 283 CA ARG A 99 62.748 8.088 -14.143 1.00 25.00 C ATOM 284 C ARG A 99 63.245 9.266 -13.311 1.00 25.00 C ATOM 285 O ARG A 99 63.864 10.200 -13.821 1.00 25.00 O ATOM 286 CB ARG A 99 63.681 7.806 -15.334 1.00 25.00 C ATOM 287 CG ARG A 99 64.809 6.834 -14.996 1.00 25.00 C ATOM 288 CD ARG A 99 64.258 5.410 -14.885 1.00 25.00 C ATOM 289 NE ARG A 99 65.290 4.428 -14.515 1.00 25.00 N ATOM 290 CZ ARG A 99 65.067 3.135 -14.303 1.00 25.00 C ATOM 291 NH1 ARG A 99 63.871 2.607 -14.408 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 66.065 2.361 -13.977 1.00 25.00 N ATOM 0 H ARG A 99 61.140 9.306 -14.753 1.00 25.00 H new ATOM 0 HA ARG A 99 62.751 7.207 -13.502 1.00 25.00 H new ATOM 0 HB2 ARG A 99 63.095 7.400 -16.158 1.00 25.00 H new ATOM 0 HB3 ARG A 99 64.111 8.746 -15.681 1.00 25.00 H new ATOM 0 HG2 ARG A 99 65.579 6.876 -15.766 1.00 25.00 H new ATOM 0 HG3 ARG A 99 65.281 7.124 -14.057 1.00 25.00 H new ATOM 0 HD2 ARG A 99 63.461 5.390 -14.142 1.00 25.00 H new ATOM 0 HD3 ARG A 99 63.813 5.122 -15.837 1.00 25.00 H new ATOM 0 HE ARG A 99 66.247 4.765 -14.414 1.00 25.00 H new ATOM 0 HH11 ARG A 99 63.075 3.193 -14.660 1.00 25.00 H new ATOM 0 HH12 ARG A 99 63.737 1.610 -14.238 1.00 25.00 H new ATOM 0 HH21 ARG A 99 67.004 2.750 -13.887 1.00 25.00 H new ATOM 0 HH22 ARG A 99 65.907 1.367 -13.812 1.00 25.00 H new ATOM 306 N HIS A 100 62.934 9.216 -12.029 1.00 25.00 N ATOM 307 CA HIS A 100 63.205 10.309 -11.121 1.00 25.00 C ATOM 308 C HIS A 100 64.206 9.834 -10.094 1.00 25.00 C ATOM 309 O HIS A 100 64.422 8.629 -9.947 1.00 25.00 O ATOM 310 CB HIS A 100 61.904 10.743 -10.439 1.00 25.00 C ATOM 311 CG HIS A 100 60.681 10.488 -11.265 1.00 25.00 C ATOM 312 ND1 HIS A 100 59.798 9.458 -11.042 1.00 25.00 N ATOM 313 CD2 HIS A 100 60.188 11.146 -12.352 1.00 25.00 C ATOM 314 CE1 HIS A 100 58.844 9.520 -11.965 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.035 10.525 -12.794 1.00 25.00 N ATOM 0 H HIS A 100 62.485 8.413 -11.589 1.00 25.00 H new ATOM 0 HA HIS A 100 63.612 11.164 -11.661 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.808 10.216 -9.490 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.962 11.807 -10.209 1.00 25.00 H new ATOM 0 HD2 HIS A 100 60.632 12.022 -12.801 1.00 25.00 H new ATOM 0 HE1 HIS A 100 58.015 8.831 -12.027 1.00 25.00 H new ATOM 0 HE2 HIS A 100 58.456 10.789 -13.591 1.00 25.00 H new ATOM 323 N MET A 101 64.811 10.775 -9.396 1.00 25.00 N ATOM 324 CA MET A 101 65.810 10.484 -8.386 1.00 25.00 C ATOM 325 C MET A 101 65.672 11.520 -7.275 1.00 25.00 C ATOM 326 O MET A 101 65.059 12.572 -7.483 1.00 25.00 O ATOM 327 CB MET A 101 67.207 10.554 -9.015 1.00 25.00 C ATOM 328 CG MET A 101 67.531 11.912 -9.624 1.00 25.00 C ATOM 329 SD MET A 101 68.983 11.860 -10.676 1.00 25.00 S ATOM 330 CE MET A 101 69.022 13.563 -11.202 1.00 25.00 C ATOM 0 H MET A 101 64.622 11.770 -9.515 1.00 25.00 H new ATOM 0 HA MET A 101 65.668 9.484 -7.977 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.952 10.319 -8.255 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.288 9.789 -9.788 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.677 12.260 -10.205 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.690 12.637 -8.826 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.779 13.687 -11.977 1.00 25.00 H new ATOM 0 HE2 MET A 101 68.046 13.844 -11.599 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.265 14.201 -10.352 1.00 25.00 H new ATOM 340 N LEU A 102 66.218 11.228 -6.104 1.00 25.00 N ATOM 341 CA LEU A 102 66.107 12.111 -4.945 1.00 25.00 C ATOM 342 C LEU A 102 67.442 12.794 -4.654 1.00 25.00 C ATOM 343 O LEU A 102 68.487 12.152 -4.637 1.00 25.00 O ATOM 344 CB LEU A 102 65.678 11.287 -3.723 1.00 25.00 C ATOM 345 CG LEU A 102 65.258 12.089 -2.476 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.870 12.709 -2.664 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.248 11.180 -1.252 1.00 25.00 C ATOM 0 H LEU A 102 66.750 10.376 -5.927 1.00 25.00 H new ATOM 0 HA LEU A 102 65.364 12.880 -5.159 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.845 10.648 -4.016 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.502 10.630 -3.446 1.00 25.00 H new ATOM 0 HG LEU A 102 65.980 12.892 -2.330 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.598 13.269 -1.770 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.885 13.380 -3.523 1.00 25.00 H new ATOM 0 HD13 LEU A 102 63.139 11.919 -2.834 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.950 11.754 -0.375 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.541 10.365 -1.410 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.246 10.770 -1.095 1.00 25.00 H new ATOM 359 N LEU A 103 67.392 14.090 -4.394 1.00 25.00 N ATOM 360 CA LEU A 103 68.578 14.874 -4.040 1.00 25.00 C ATOM 361 C LEU A 103 68.325 15.573 -2.723 1.00 25.00 C ATOM 362 O LEU A 103 67.210 15.996 -2.455 1.00 25.00 O ATOM 363 CB LEU A 103 68.853 15.933 -5.111 1.00 25.00 C ATOM 364 CG LEU A 103 69.322 15.399 -6.469 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.267 16.513 -7.501 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.739 14.856 -6.368 1.00 25.00 C ATOM 0 H LEU A 103 66.530 14.635 -4.421 1.00 25.00 H new ATOM 0 HA LEU A 103 69.437 14.207 -3.964 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.943 16.513 -5.264 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.609 16.620 -4.731 1.00 25.00 H new ATOM 0 HG LEU A 103 68.662 14.588 -6.775 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.601 16.132 -8.466 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.243 16.877 -7.589 1.00 25.00 H new ATOM 0 HD13 LEU A 103 69.917 17.330 -7.189 1.00 25.00 H new ATOM 0 HD21 LEU A 103 71.055 14.481 -7.341 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.412 15.652 -6.050 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.767 14.045 -5.640 1.00 25.00 H new ATOM 378 N THR A 104 69.360 15.732 -1.917 1.00 25.00 N ATOM 379 CA THR A 104 69.241 16.445 -0.646 1.00 25.00 C ATOM 380 C THR A 104 69.827 17.833 -0.837 1.00 25.00 C ATOM 381 O THR A 104 70.867 17.984 -1.463 1.00 25.00 O ATOM 382 CB THR A 104 69.999 15.704 0.469 1.00 25.00 C ATOM 383 OG1 THR A 104 69.559 14.345 0.506 1.00 25.00 O ATOM 384 CG2 THR A 104 69.735 16.322 1.837 1.00 25.00 C ATOM 0 H THR A 104 70.296 15.378 -2.116 1.00 25.00 H new ATOM 0 HA THR A 104 68.193 16.505 -0.351 1.00 25.00 H new ATOM 0 HB THR A 104 71.065 15.774 0.252 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.039 13.865 1.213 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.288 15.771 2.598 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.060 17.363 1.835 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.669 16.275 2.058 1.00 25.00 H new ATOM 392 N VAL A 105 69.162 18.849 -0.316 1.00 25.00 N ATOM 393 CA VAL A 105 69.634 20.223 -0.429 1.00 25.00 C ATOM 394 C VAL A 105 69.774 20.788 0.979 1.00 25.00 C ATOM 395 O VAL A 105 68.870 20.659 1.802 1.00 25.00 O ATOM 396 CB VAL A 105 68.649 21.086 -1.259 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.171 22.526 -1.408 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.430 20.467 -2.652 1.00 25.00 C ATOM 0 H VAL A 105 68.285 18.749 0.195 1.00 25.00 H new ATOM 0 HA VAL A 105 70.594 20.240 -0.945 1.00 25.00 H new ATOM 0 HB VAL A 105 67.698 21.112 -0.727 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.462 23.111 -1.994 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.285 22.976 -0.422 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.136 22.513 -1.914 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.736 21.086 -3.220 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.382 20.412 -3.179 1.00 25.00 H new ATOM 0 HG23 VAL A 105 68.017 19.464 -2.544 1.00 25.00 H new ATOM 408 N TYR A 106 70.924 21.381 1.259 1.00 25.00 N ATOM 409 CA TYR A 106 71.222 21.951 2.568 1.00 25.00 C ATOM 410 C TYR A 106 71.487 23.450 2.406 1.00 25.00 C ATOM 411 O TYR A 106 72.504 23.852 1.838 1.00 25.00 O ATOM 412 CB TYR A 106 72.438 21.235 3.165 1.00 25.00 C ATOM 413 CG TYR A 106 72.578 21.401 4.661 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.882 22.654 5.229 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.408 20.298 5.526 1.00 25.00 C ATOM 416 CE1 TYR A 106 73.011 22.804 6.636 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.532 20.449 6.933 1.00 25.00 C ATOM 418 CZ TYR A 106 72.838 21.702 7.470 1.00 25.00 C ATOM 419 OH TYR A 106 72.971 21.855 8.824 1.00 25.00 O ATOM 0 H TYR A 106 71.681 21.482 0.583 1.00 25.00 H new ATOM 0 HA TYR A 106 70.379 21.817 3.246 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.371 20.172 2.933 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.340 21.610 2.682 1.00 25.00 H new ATOM 0 HD1 TYR A 106 73.019 23.511 4.587 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.181 19.327 5.112 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.243 23.771 7.058 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.390 19.599 7.584 1.00 25.00 H new ATOM 0 HH TYR A 106 72.819 20.994 9.267 1.00 25.00 H new ATOM 429 N CYS A 107 70.556 24.273 2.860 1.00 25.00 N ATOM 430 CA CYS A 107 70.650 25.722 2.704 1.00 25.00 C ATOM 431 C CYS A 107 71.195 26.356 3.977 1.00 25.00 C ATOM 432 O CYS A 107 70.622 26.197 5.040 1.00 25.00 O ATOM 433 CB CYS A 107 69.265 26.284 2.392 1.00 25.00 C ATOM 434 SG CYS A 107 68.565 25.575 0.885 1.00 25.00 S ATOM 0 H CYS A 107 69.715 23.961 3.346 1.00 25.00 H new ATOM 0 HA CYS A 107 71.331 25.953 1.885 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.597 26.085 3.230 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.329 27.367 2.286 1.00 25.00 H new ATOM 0 HG CYS A 107 67.371 26.053 0.694 1.00 25.00 H new ATOM 440 N VAL A 108 72.311 27.060 3.861 1.00 25.00 N ATOM 441 CA VAL A 108 73.001 27.645 5.013 1.00 25.00 C ATOM 442 C VAL A 108 72.889 29.168 5.032 1.00 25.00 C ATOM 443 O VAL A 108 73.187 29.836 4.031 1.00 25.00 O ATOM 444 CB VAL A 108 74.521 27.276 4.986 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.235 27.768 6.264 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.708 25.764 4.849 1.00 25.00 C ATOM 0 H VAL A 108 72.768 27.245 2.968 1.00 25.00 H new ATOM 0 HA VAL A 108 72.521 27.238 5.903 1.00 25.00 H new ATOM 0 HB VAL A 108 74.964 27.772 4.122 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.290 27.498 6.218 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.141 28.851 6.339 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.779 27.302 7.138 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.772 25.529 4.832 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.239 25.261 5.695 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.246 25.423 3.922 1.00 25.00 H new ATOM 456 N ARG A 109 72.537 29.723 6.185 1.00 25.00 N ATOM 457 CA ARG A 109 72.547 31.173 6.387 1.00 25.00 C ATOM 458 C ARG A 109 73.616 31.506 7.406 1.00 25.00 C ATOM 459 O ARG A 109 73.910 30.706 8.279 1.00 25.00 O ATOM 460 CB ARG A 109 71.194 31.664 6.895 1.00 25.00 C ATOM 461 CG ARG A 109 70.586 32.705 5.990 1.00 25.00 C ATOM 462 CD ARG A 109 69.500 33.511 6.675 1.00 25.00 C ATOM 463 NE ARG A 109 68.993 34.547 5.763 1.00 25.00 N ATOM 464 CZ ARG A 109 68.109 35.485 6.070 1.00 25.00 C ATOM 465 NH1 ARG A 109 67.590 35.597 7.269 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 67.752 36.336 5.147 1.00 25.00 N ATOM 0 H ARG A 109 72.239 29.190 7.002 1.00 25.00 H new ATOM 0 HA ARG A 109 72.752 31.665 5.436 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.512 30.818 6.981 1.00 25.00 H new ATOM 0 HB3 ARG A 109 71.313 32.080 7.895 1.00 25.00 H new ATOM 0 HG2 ARG A 109 71.368 33.379 5.641 1.00 25.00 H new ATOM 0 HG3 ARG A 109 70.170 32.217 5.109 1.00 25.00 H new ATOM 0 HD2 ARG A 109 68.686 32.854 6.981 1.00 25.00 H new ATOM 0 HD3 ARG A 109 69.894 33.973 7.580 1.00 25.00 H new ATOM 0 HE ARG A 109 69.354 34.543 4.809 1.00 25.00 H new ATOM 0 HH11 ARG A 109 67.864 34.948 8.006 1.00 25.00 H new ATOM 0 HH12 ARG A 109 66.912 36.334 7.464 1.00 25.00 H new ATOM 0 HH21 ARG A 109 68.152 36.271 4.211 1.00 25.00 H new ATOM 0 HH22 ARG A 109 67.073 37.066 5.362 1.00 25.00 H new ATOM 480 N ARG A 110 74.184 32.701 7.307 1.00 25.00 N ATOM 481 CA ARG A 110 75.226 33.138 8.250 1.00 25.00 C ATOM 482 C ARG A 110 74.682 33.215 9.677 1.00 25.00 C ATOM 483 O ARG A 110 75.410 33.014 10.637 1.00 25.00 O ATOM 484 CB ARG A 110 75.759 34.521 7.842 1.00 25.00 C ATOM 485 CG ARG A 110 76.987 34.971 8.644 1.00 25.00 C ATOM 486 CD ARG A 110 77.277 36.450 8.447 1.00 25.00 C ATOM 487 NE ARG A 110 78.398 36.889 9.299 1.00 25.00 N ATOM 488 CZ ARG A 110 78.300 37.234 10.582 1.00 25.00 C ATOM 489 NH1 ARG A 110 77.166 37.206 11.241 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 79.376 37.611 11.217 1.00 25.00 N ATOM 0 H ARG A 110 73.948 33.387 6.590 1.00 25.00 H new ATOM 0 HA ARG A 110 76.032 32.404 8.220 1.00 25.00 H new ATOM 0 HB2 ARG A 110 76.015 34.504 6.783 1.00 25.00 H new ATOM 0 HB3 ARG A 110 74.965 35.258 7.966 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.824 34.770 9.703 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.855 34.386 8.339 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.515 36.641 7.401 1.00 25.00 H new ATOM 0 HD3 ARG A 110 76.387 37.033 8.683 1.00 25.00 H new ATOM 0 HE ARG A 110 79.323 36.932 8.871 1.00 25.00 H new ATOM 0 HH11 ARG A 110 76.310 36.911 10.771 1.00 25.00 H new ATOM 0 HH12 ARG A 110 77.140 37.479 12.223 1.00 25.00 H new ATOM 0 HH21 ARG A 110 80.272 37.638 10.731 1.00 25.00 H new ATOM 0 HH22 ARG A 110 79.321 37.879 12.200 1.00 25.00 H new ATOM 504 N ASP A 111 73.407 33.545 9.795 1.00 25.00 N ATOM 505 CA ASP A 111 72.773 33.786 11.092 1.00 25.00 C ATOM 506 C ASP A 111 72.218 32.507 11.740 1.00 25.00 C ATOM 507 O ASP A 111 71.207 32.543 12.429 1.00 25.00 O ATOM 508 CB ASP A 111 71.659 34.826 10.900 1.00 25.00 C ATOM 509 CG ASP A 111 71.489 35.736 12.106 1.00 25.00 C ATOM 510 OD1 ASP A 111 72.504 36.032 12.779 1.00 25.00 O ATOM 511 OD2 ASP A 111 70.379 36.278 12.280 1.00 25.00 O1- ATOM 0 H ASP A 111 72.778 33.655 8.999 1.00 25.00 H new ATOM 0 HA ASP A 111 73.533 34.158 11.779 1.00 25.00 H new ATOM 0 HB2 ASP A 111 71.881 35.432 10.022 1.00 25.00 H new ATOM 0 HB3 ASP A 111 70.718 34.312 10.703 1.00 25.00 H new ATOM 516 N LEU A 112 72.877 31.379 11.469 1.00 25.00 N ATOM 517 CA LEU A 112 72.505 30.052 12.008 1.00 25.00 C ATOM 518 C LEU A 112 71.036 29.707 11.746 1.00 25.00 C ATOM 519 O LEU A 112 70.324 29.176 12.592 1.00 25.00 O ATOM 520 CB LEU A 112 72.839 29.951 13.506 1.00 25.00 C ATOM 521 CG LEU A 112 74.322 30.159 13.866 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.487 30.114 15.385 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.225 29.091 13.221 1.00 25.00 C ATOM 0 H LEU A 112 73.696 31.352 10.862 1.00 25.00 H new ATOM 0 HA LEU A 112 73.103 29.314 11.474 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.245 30.689 14.044 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.529 28.969 13.865 1.00 25.00 H new ATOM 0 HG LEU A 112 74.627 31.132 13.479 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.536 30.261 15.642 1.00 25.00 H new ATOM 0 HD12 LEU A 112 73.888 30.903 15.840 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.154 29.146 15.759 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.262 29.275 13.500 1.00 25.00 H new ATOM 0 HD22 LEU A 112 74.925 28.103 13.569 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.127 29.139 12.136 1.00 25.00 H new ATOM 535 N SER A 113 70.595 30.069 10.553 1.00 25.00 N ATOM 536 CA SER A 113 69.213 29.892 10.113 1.00 25.00 C ATOM 537 C SER A 113 69.068 28.753 9.107 1.00 25.00 C ATOM 538 O SER A 113 68.228 28.812 8.212 1.00 25.00 O ATOM 539 CB SER A 113 68.705 31.183 9.493 1.00 25.00 C ATOM 540 OG SER A 113 69.462 32.291 9.953 1.00 25.00 O ATOM 0 H SER A 113 71.193 30.501 9.849 1.00 25.00 H new ATOM 0 HA SER A 113 68.621 29.635 10.991 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.767 31.120 8.407 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.654 31.324 9.745 1.00 25.00 H new ATOM 0 HG SER A 113 69.122 33.113 9.542 1.00 25.00 H new ATOM 546 N GLU A 114 69.983 27.802 9.153 1.00 25.00 N ATOM 547 CA GLU A 114 70.062 26.777 8.114 1.00 25.00 C ATOM 548 C GLU A 114 68.924 25.757 8.184 1.00 25.00 C ATOM 549 O GLU A 114 68.330 25.512 9.233 1.00 25.00 O ATOM 550 CB GLU A 114 71.409 26.027 8.177 1.00 25.00 C ATOM 551 CG GLU A 114 71.716 25.289 9.497 1.00 25.00 C ATOM 552 CD GLU A 114 72.341 26.189 10.560 1.00 25.00 C ATOM 553 OE1 GLU A 114 72.606 27.377 10.257 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 72.616 25.700 11.672 1.00 25.00 O1- ATOM 0 H GLU A 114 70.681 27.713 9.892 1.00 25.00 H new ATOM 0 HA GLU A 114 69.973 27.312 7.169 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.435 25.301 7.364 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.209 26.743 7.991 1.00 25.00 H new ATOM 0 HG2 GLU A 114 70.793 24.862 9.889 1.00 25.00 H new ATOM 0 HG3 GLU A 114 72.391 24.458 9.292 1.00 25.00 H new ATOM 561 N VAL A 115 68.611 25.200 7.023 1.00 25.00 N ATOM 562 CA VAL A 115 67.513 24.254 6.858 1.00 25.00 C ATOM 563 C VAL A 115 67.964 23.257 5.797 1.00 25.00 C ATOM 564 O VAL A 115 68.784 23.590 4.939 1.00 25.00 O ATOM 565 CB VAL A 115 66.188 25.000 6.425 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.342 25.687 5.049 1.00 25.00 C ATOM 567 CG2 VAL A 115 64.978 24.048 6.410 1.00 25.00 C ATOM 0 H VAL A 115 69.117 25.393 6.159 1.00 25.00 H new ATOM 0 HA VAL A 115 67.283 23.745 7.794 1.00 25.00 H new ATOM 0 HB VAL A 115 66.007 25.772 7.173 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.411 26.189 4.787 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.148 26.419 5.096 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.576 24.938 4.293 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.086 24.597 6.108 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.161 23.238 5.705 1.00 25.00 H new ATOM 0 HG23 VAL A 115 64.828 23.634 7.407 1.00 25.00 H new ATOM 577 N THR A 116 67.455 22.040 5.843 1.00 25.00 N ATOM 578 CA THR A 116 67.778 21.047 4.832 1.00 25.00 C ATOM 579 C THR A 116 66.508 20.284 4.516 1.00 25.00 C ATOM 580 O THR A 116 65.617 20.172 5.361 1.00 25.00 O ATOM 581 CB THR A 116 68.931 20.107 5.286 1.00 25.00 C ATOM 582 OG1 THR A 116 69.315 19.249 4.209 1.00 25.00 O ATOM 583 CG2 THR A 116 68.538 19.243 6.477 1.00 25.00 C ATOM 0 H THR A 116 66.816 21.714 6.569 1.00 25.00 H new ATOM 0 HA THR A 116 68.147 21.538 3.932 1.00 25.00 H new ATOM 0 HB THR A 116 69.761 20.747 5.585 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.156 19.704 3.356 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.376 18.605 6.756 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.273 19.883 7.319 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.683 18.622 6.210 1.00 25.00 H new ATOM 591 N PHE A 117 66.400 19.832 3.280 1.00 25.00 N ATOM 592 CA PHE A 117 65.216 19.147 2.787 1.00 25.00 C ATOM 593 C PHE A 117 65.669 18.318 1.600 1.00 25.00 C ATOM 594 O PHE A 117 66.819 18.429 1.177 1.00 25.00 O ATOM 595 CB PHE A 117 64.143 20.166 2.373 1.00 25.00 C ATOM 596 CG PHE A 117 64.664 21.288 1.512 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.775 21.132 0.118 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.029 22.520 2.095 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.238 22.198 -0.697 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.494 23.588 1.295 1.00 25.00 C ATOM 601 CZ PHE A 117 65.598 23.430 -0.104 1.00 25.00 C ATOM 0 H PHE A 117 67.138 19.930 2.583 1.00 25.00 H new ATOM 0 HA PHE A 117 64.770 18.514 3.554 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.351 19.646 1.834 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.693 20.589 3.271 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.505 20.191 -0.337 1.00 25.00 H new ATOM 0 HD2 PHE A 117 64.952 22.648 3.165 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.315 22.068 -1.766 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.770 24.526 1.754 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.951 24.246 -0.718 1.00 25.00 H new ATOM 611 N SER A 118 64.785 17.504 1.048 1.00 25.00 N ATOM 612 CA SER A 118 65.117 16.696 -0.117 1.00 25.00 C ATOM 613 C SER A 118 64.085 16.953 -1.198 1.00 25.00 C ATOM 614 O SER A 118 62.927 17.216 -0.900 1.00 25.00 O ATOM 615 CB SER A 118 65.150 15.210 0.245 1.00 25.00 C ATOM 616 OG SER A 118 66.128 14.955 1.243 1.00 25.00 O ATOM 0 H SER A 118 63.831 17.384 1.387 1.00 25.00 H new ATOM 0 HA SER A 118 66.108 16.972 -0.479 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.169 14.896 0.602 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.369 14.619 -0.644 1.00 25.00 H new ATOM 0 HG SER A 118 66.131 14.000 1.461 1.00 25.00 H new ATOM 622 N LEU A 119 64.524 16.898 -2.444 1.00 25.00 N ATOM 623 CA LEU A 119 63.667 17.156 -3.594 1.00 25.00 C ATOM 624 C LEU A 119 63.794 15.998 -4.557 1.00 25.00 C ATOM 625 O LEU A 119 64.865 15.407 -4.681 1.00 25.00 O ATOM 626 CB LEU A 119 64.105 18.435 -4.311 1.00 25.00 C ATOM 627 CG LEU A 119 63.979 19.761 -3.551 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.600 20.838 -4.420 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.525 20.113 -3.242 1.00 25.00 C ATOM 0 H LEU A 119 65.488 16.673 -2.690 1.00 25.00 H new ATOM 0 HA LEU A 119 62.638 17.271 -3.254 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.148 18.314 -4.603 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.524 18.519 -5.230 1.00 25.00 H new ATOM 0 HG LEU A 119 64.489 19.677 -2.591 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.530 21.800 -3.913 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.648 20.599 -4.602 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.069 20.890 -5.371 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.486 21.060 -2.703 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.966 20.203 -4.174 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.083 19.328 -2.628 1.00 25.00 H new ATOM 641 N GLN A 120 62.716 15.697 -5.259 1.00 25.00 N ATOM 642 CA GLN A 120 62.722 14.633 -6.256 1.00 25.00 C ATOM 643 C GLN A 120 62.662 15.288 -7.625 1.00 25.00 C ATOM 644 O GLN A 120 61.813 16.142 -7.869 1.00 25.00 O ATOM 645 CB GLN A 120 61.531 13.691 -6.052 1.00 25.00 C ATOM 646 CG GLN A 120 61.545 12.486 -6.988 1.00 25.00 C ATOM 647 CD GLN A 120 60.346 11.586 -6.786 1.00 25.00 C ATOM 648 OE1 GLN A 120 60.189 10.964 -5.752 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.495 11.515 -7.777 1.00 25.00 N ATOM 0 H GLN A 120 61.820 16.175 -5.159 1.00 25.00 H new ATOM 0 HA GLN A 120 63.626 14.031 -6.163 1.00 25.00 H new ATOM 0 HB2 GLN A 120 61.527 13.340 -5.020 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.606 14.248 -6.203 1.00 25.00 H new ATOM 0 HG2 GLN A 120 61.566 12.832 -8.021 1.00 25.00 H new ATOM 0 HG3 GLN A 120 62.458 11.913 -6.825 1.00 25.00 H new ATOM 0 HE21 GLN A 120 59.659 12.051 -8.629 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.668 10.924 -7.697 1.00 25.00 H new ATOM 658 N VAL A 121 63.580 14.910 -8.501 1.00 25.00 N ATOM 659 CA VAL A 121 63.669 15.490 -9.840 1.00 25.00 C ATOM 660 C VAL A 121 63.909 14.384 -10.852 1.00 25.00 C ATOM 661 O VAL A 121 64.361 13.305 -10.494 1.00 25.00 O ATOM 662 CB VAL A 121 64.842 16.517 -9.937 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.581 17.727 -9.039 1.00 25.00 C ATOM 664 CG2 VAL A 121 66.186 15.873 -9.556 1.00 25.00 C ATOM 0 H VAL A 121 64.283 14.196 -8.309 1.00 25.00 H new ATOM 0 HA VAL A 121 62.732 16.007 -10.047 1.00 25.00 H new ATOM 0 HB VAL A 121 64.897 16.847 -10.975 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.411 18.428 -9.123 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.658 18.218 -9.349 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.487 17.398 -8.004 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.980 16.615 -9.634 1.00 25.00 H new ATOM 0 HG22 VAL A 121 66.135 15.503 -8.532 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.397 15.044 -10.231 1.00 25.00 H new ATOM 674 N ASP A 122 63.629 14.652 -12.115 1.00 25.00 N ATOM 675 CA ASP A 122 63.925 13.697 -13.179 1.00 25.00 C ATOM 676 C ASP A 122 65.419 13.670 -13.453 1.00 25.00 C ATOM 677 O ASP A 122 66.141 14.618 -13.146 1.00 25.00 O ATOM 678 CB ASP A 122 63.191 14.079 -14.463 1.00 25.00 C ATOM 679 CG ASP A 122 61.756 13.627 -14.453 1.00 25.00 C ATOM 680 OD1 ASP A 122 61.497 12.485 -14.892 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 60.896 14.378 -13.953 1.00 25.00 O1- ATOM 0 H ASP A 122 63.198 15.520 -12.433 1.00 25.00 H new ATOM 0 HA ASP A 122 63.591 12.712 -12.854 1.00 25.00 H new ATOM 0 HB2 ASP A 122 63.229 15.161 -14.593 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.703 13.637 -15.318 1.00 25.00 H new ATOM 686 N ALA A 123 65.884 12.606 -14.087 1.00 25.00 N ATOM 687 CA ALA A 123 67.287 12.520 -14.479 1.00 25.00 C ATOM 688 C ALA A 123 67.634 13.666 -15.448 1.00 25.00 C ATOM 689 O ALA A 123 68.726 14.242 -15.394 1.00 25.00 O ATOM 690 CB ALA A 123 67.561 11.159 -15.132 1.00 25.00 C ATOM 0 H ALA A 123 65.319 11.795 -14.341 1.00 25.00 H new ATOM 0 HA ALA A 123 67.915 12.615 -13.593 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.610 11.100 -15.423 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.336 10.363 -14.422 1.00 25.00 H new ATOM 0 HB3 ALA A 123 66.932 11.046 -16.015 1.00 25.00 H new ATOM 696 N ASP A 124 66.689 13.992 -16.321 1.00 25.00 N ATOM 697 CA ASP A 124 66.893 15.016 -17.350 1.00 25.00 C ATOM 698 C ASP A 124 66.300 16.375 -16.951 1.00 25.00 C ATOM 699 O ASP A 124 66.114 17.254 -17.781 1.00 25.00 O ATOM 700 CB ASP A 124 66.285 14.545 -18.676 1.00 25.00 C ATOM 701 CG ASP A 124 66.993 15.142 -19.892 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.184 15.526 -19.777 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.396 15.127 -20.987 1.00 25.00 O1- ATOM 0 H ASP A 124 65.765 13.561 -16.340 1.00 25.00 H new ATOM 0 HA ASP A 124 67.968 15.157 -17.463 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.335 13.457 -18.729 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.230 14.817 -18.705 1.00 25.00 H new ATOM 708 N PHE A 125 66.005 16.535 -15.668 1.00 25.00 N ATOM 709 CA PHE A 125 65.445 17.786 -15.148 1.00 25.00 C ATOM 710 C PHE A 125 66.437 18.922 -15.366 1.00 25.00 C ATOM 711 O PHE A 125 67.650 18.718 -15.264 1.00 25.00 O ATOM 712 CB PHE A 125 65.167 17.612 -13.656 1.00 25.00 C ATOM 713 CG PHE A 125 64.161 18.572 -13.096 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.792 18.405 -13.385 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.555 19.612 -12.238 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.823 19.267 -12.823 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.590 20.475 -11.661 1.00 25.00 C ATOM 718 CZ PHE A 125 62.222 20.300 -11.956 1.00 25.00 C ATOM 0 H PHE A 125 66.143 15.813 -14.961 1.00 25.00 H new ATOM 0 HA PHE A 125 64.519 18.027 -15.669 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.817 16.595 -13.481 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.103 17.726 -13.109 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.479 17.609 -14.044 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.602 19.755 -12.016 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.778 19.133 -13.059 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.902 21.266 -10.996 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.484 20.956 -11.518 1.00 25.00 H new ATOM 728 N GLU A 126 65.949 20.112 -15.679 1.00 25.00 N ATOM 729 CA GLU A 126 66.833 21.237 -15.961 1.00 25.00 C ATOM 730 C GLU A 126 67.427 21.809 -14.681 1.00 25.00 C ATOM 731 O GLU A 126 66.721 22.023 -13.687 1.00 25.00 O ATOM 732 CB GLU A 126 66.079 22.372 -16.669 1.00 25.00 C ATOM 733 CG GLU A 126 65.148 21.929 -17.786 1.00 25.00 C ATOM 734 CD GLU A 126 63.703 21.896 -17.317 1.00 25.00 C ATOM 735 OE1 GLU A 126 63.410 21.184 -16.324 1.00 25.00 O ATOM 736 OE2 GLU A 126 62.889 22.671 -17.858 1.00 25.00 O1- ATOM 0 H GLU A 126 64.954 20.325 -15.744 1.00 25.00 H new ATOM 0 HA GLU A 126 67.625 20.852 -16.603 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.497 22.919 -15.927 1.00 25.00 H new ATOM 0 HB3 GLU A 126 66.808 23.070 -17.080 1.00 25.00 H new ATOM 0 HG2 GLU A 126 65.243 22.609 -18.633 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.442 20.940 -18.137 1.00 25.00 H new ATOM 743 N LEU A 127 68.703 22.168 -14.730 1.00 25.00 N ATOM 744 CA LEU A 127 69.349 22.828 -13.596 1.00 25.00 C ATOM 745 C LEU A 127 68.618 24.145 -13.319 1.00 25.00 C ATOM 746 O LEU A 127 68.436 24.538 -12.170 1.00 25.00 O ATOM 747 CB LEU A 127 70.833 23.048 -13.916 1.00 25.00 C ATOM 748 CG LEU A 127 71.866 23.284 -12.793 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.680 24.608 -12.068 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.839 22.131 -11.790 1.00 25.00 C ATOM 0 H LEU A 127 69.310 22.016 -15.535 1.00 25.00 H new ATOM 0 HA LEU A 127 69.295 22.211 -12.699 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.169 22.178 -14.480 1.00 25.00 H new ATOM 0 HB3 LEU A 127 70.890 23.905 -14.587 1.00 25.00 H new ATOM 0 HG LEU A 127 72.840 23.328 -13.281 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.439 24.708 -11.292 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.777 25.429 -12.779 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.690 24.638 -11.613 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.573 22.314 -11.005 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.846 22.057 -11.347 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.079 21.199 -12.301 1.00 25.00 H new ATOM 762 N HIS A 128 68.115 24.778 -14.374 1.00 25.00 N ATOM 763 CA HIS A 128 67.307 25.994 -14.230 1.00 25.00 C ATOM 764 C HIS A 128 66.130 25.779 -13.281 1.00 25.00 C ATOM 765 O HIS A 128 65.887 26.596 -12.395 1.00 25.00 O ATOM 766 CB HIS A 128 66.766 26.438 -15.597 1.00 25.00 C ATOM 767 CG HIS A 128 65.845 27.619 -15.523 1.00 25.00 C ATOM 768 ND1 HIS A 128 64.460 27.513 -15.341 1.00 25.00 N ATOM 769 CD2 HIS A 128 66.077 28.957 -15.600 1.00 25.00 C ATOM 770 CE1 HIS A 128 63.938 28.731 -15.303 1.00 25.00 C ATOM 771 NE2 HIS A 128 64.890 29.612 -15.459 1.00 25.00 N ATOM 0 H HIS A 128 68.250 24.474 -15.338 1.00 25.00 H new ATOM 0 HA HIS A 128 67.955 26.765 -13.814 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.605 26.682 -16.249 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.237 25.604 -16.058 1.00 25.00 H new ATOM 0 HD1 HIS A 128 63.938 26.641 -15.252 1.00 25.00 H new ATOM 0 HD2 HIS A 128 67.040 29.422 -15.748 1.00 25.00 H new ATOM 0 HE1 HIS A 128 62.891 28.959 -15.165 1.00 25.00 H new ATOM 779 N ASN A 129 65.390 24.700 -13.472 1.00 25.00 N ATOM 780 CA ASN A 129 64.198 24.457 -12.670 1.00 25.00 C ATOM 781 C ASN A 129 64.561 23.932 -11.292 1.00 25.00 C ATOM 782 O ASN A 129 63.869 24.209 -10.337 1.00 25.00 O ATOM 783 CB ASN A 129 63.248 23.497 -13.387 1.00 25.00 C ATOM 784 CG ASN A 129 62.554 24.145 -14.560 1.00 25.00 C ATOM 785 OD1 ASN A 129 62.782 25.319 -14.860 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.718 23.411 -15.218 1.00 25.00 N ATOM 0 H ASN A 129 65.589 23.982 -14.169 1.00 25.00 H new ATOM 0 HA ASN A 129 63.684 25.409 -12.538 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.807 22.628 -13.734 1.00 25.00 H new ATOM 0 HB3 ASN A 129 62.501 23.134 -12.681 1.00 25.00 H new ATOM 0 HD21 ASN A 129 61.219 23.799 -16.018 1.00 25.00 H new ATOM 0 HD22 ASN A 129 61.558 22.444 -14.937 1.00 25.00 H new ATOM 793 N PHE A 130 65.674 23.225 -11.172 1.00 25.00 N ATOM 794 CA PHE A 130 66.128 22.753 -9.859 1.00 25.00 C ATOM 795 C PHE A 130 66.435 23.922 -8.925 1.00 25.00 C ATOM 796 O PHE A 130 66.090 23.896 -7.742 1.00 25.00 O ATOM 797 CB PHE A 130 67.366 21.884 -10.033 1.00 25.00 C ATOM 798 CG PHE A 130 67.912 21.332 -8.747 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.148 20.445 -7.966 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.206 21.683 -8.314 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.670 19.900 -6.768 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.739 21.143 -7.117 1.00 25.00 C ATOM 803 CZ PHE A 130 68.971 20.245 -6.348 1.00 25.00 C ATOM 0 H PHE A 130 66.277 22.965 -11.952 1.00 25.00 H new ATOM 0 HA PHE A 130 65.328 22.167 -9.407 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.125 21.055 -10.699 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.143 22.471 -10.523 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.151 20.177 -8.284 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.798 22.371 -8.900 1.00 25.00 H new ATOM 0 HE1 PHE A 130 67.073 19.221 -6.177 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.732 21.419 -6.794 1.00 25.00 H new ATOM 0 HZ PHE A 130 69.378 19.823 -5.441 1.00 25.00 H new ATOM 813 N ARG A 131 67.022 24.979 -9.474 1.00 25.00 N ATOM 814 CA ARG A 131 67.285 26.196 -8.694 1.00 25.00 C ATOM 815 C ARG A 131 65.978 26.753 -8.205 1.00 25.00 C ATOM 816 O ARG A 131 65.823 27.046 -7.038 1.00 25.00 O ATOM 817 CB ARG A 131 67.952 27.266 -9.553 1.00 25.00 C ATOM 818 CG ARG A 131 69.311 26.890 -9.995 1.00 25.00 C ATOM 819 CD ARG A 131 69.771 27.772 -11.145 1.00 25.00 C ATOM 820 NE ARG A 131 71.228 28.005 -11.116 1.00 25.00 N ATOM 821 CZ ARG A 131 71.816 29.166 -10.846 1.00 25.00 C ATOM 822 NH1 ARG A 131 71.141 30.258 -10.574 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 73.112 29.229 -10.849 1.00 25.00 N ATOM 0 H ARG A 131 67.325 25.025 -10.447 1.00 25.00 H new ATOM 0 HA ARG A 131 67.944 25.933 -7.866 1.00 25.00 H new ATOM 0 HB2 ARG A 131 67.332 27.459 -10.428 1.00 25.00 H new ATOM 0 HB3 ARG A 131 68.005 28.197 -8.988 1.00 25.00 H new ATOM 0 HG2 ARG A 131 70.007 26.981 -9.161 1.00 25.00 H new ATOM 0 HG3 ARG A 131 69.321 25.845 -10.306 1.00 25.00 H new ATOM 0 HD2 ARG A 131 69.497 27.305 -12.091 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.250 28.728 -11.099 1.00 25.00 H new ATOM 0 HE ARG A 131 71.833 27.210 -11.320 1.00 25.00 H new ATOM 0 HH11 ARG A 131 70.121 30.238 -10.564 1.00 25.00 H new ATOM 0 HH12 ARG A 131 71.636 31.127 -10.373 1.00 25.00 H new ATOM 0 HH21 ARG A 131 73.663 28.396 -11.056 1.00 25.00 H new ATOM 0 HH22 ARG A 131 73.580 30.112 -10.644 1.00 25.00 H new ATOM 837 N ALA A 132 65.046 26.879 -9.127 1.00 25.00 N ATOM 838 CA ALA A 132 63.724 27.426 -8.817 1.00 25.00 C ATOM 839 C ALA A 132 63.001 26.585 -7.749 1.00 25.00 C ATOM 840 O ALA A 132 62.349 27.123 -6.866 1.00 25.00 O ATOM 841 CB ALA A 132 62.880 27.514 -10.097 1.00 25.00 C ATOM 0 H ALA A 132 65.172 26.611 -10.103 1.00 25.00 H new ATOM 0 HA ALA A 132 63.859 28.428 -8.409 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.898 27.922 -9.858 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.377 28.164 -10.817 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.765 26.519 -10.526 1.00 25.00 H new ATOM 847 N LEU A 133 63.136 25.270 -7.823 1.00 25.00 N ATOM 848 CA LEU A 133 62.514 24.382 -6.844 1.00 25.00 C ATOM 849 C LEU A 133 63.107 24.592 -5.454 1.00 25.00 C ATOM 850 O LEU A 133 62.376 24.726 -4.484 1.00 25.00 O ATOM 851 CB LEU A 133 62.701 22.915 -7.251 1.00 25.00 C ATOM 852 CG LEU A 133 61.471 22.193 -7.827 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.991 22.812 -9.144 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.820 20.719 -8.048 1.00 25.00 C ATOM 0 H LEU A 133 63.669 24.791 -8.549 1.00 25.00 H new ATOM 0 HA LEU A 133 61.451 24.621 -6.816 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.500 22.867 -7.990 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.042 22.361 -6.377 1.00 25.00 H new ATOM 0 HG LEU A 133 60.657 22.295 -7.110 1.00 25.00 H new ATOM 0 HD11 LEU A 133 60.121 22.265 -9.507 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.721 23.855 -8.979 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.789 22.757 -9.884 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.954 20.197 -8.456 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.653 20.643 -8.747 1.00 25.00 H new ATOM 0 HD23 LEU A 133 62.102 20.265 -7.098 1.00 25.00 H new ATOM 866 N CYS A 134 64.430 24.632 -5.345 1.00 25.00 N ATOM 867 CA CYS A 134 65.052 24.798 -4.030 1.00 25.00 C ATOM 868 C CYS A 134 64.862 26.224 -3.504 1.00 25.00 C ATOM 869 O CYS A 134 64.832 26.446 -2.298 1.00 25.00 O ATOM 870 CB CYS A 134 66.538 24.406 -4.068 1.00 25.00 C ATOM 871 SG CYS A 134 67.631 25.555 -4.946 1.00 25.00 S ATOM 0 H CYS A 134 65.081 24.554 -6.126 1.00 25.00 H new ATOM 0 HA CYS A 134 64.551 24.124 -3.335 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.895 24.305 -3.043 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.624 23.424 -4.533 1.00 25.00 H new ATOM 0 HG CYS A 134 66.947 26.211 -5.836 1.00 25.00 H new ATOM 877 N GLU A 135 64.684 27.175 -4.411 1.00 25.00 N ATOM 878 CA GLU A 135 64.400 28.567 -4.056 1.00 25.00 C ATOM 879 C GLU A 135 63.021 28.647 -3.417 1.00 25.00 C ATOM 880 O GLU A 135 62.848 29.264 -2.365 1.00 25.00 O ATOM 881 CB GLU A 135 64.436 29.427 -5.333 1.00 25.00 C ATOM 882 CG GLU A 135 64.193 30.906 -5.120 1.00 25.00 C ATOM 883 CD GLU A 135 64.104 31.693 -6.431 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.265 31.087 -7.519 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 63.941 32.941 -6.371 1.00 25.00 O1- ATOM 0 H GLU A 135 64.732 27.007 -5.416 1.00 25.00 H new ATOM 0 HA GLU A 135 65.145 28.934 -3.351 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.408 29.300 -5.811 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.687 29.048 -6.028 1.00 25.00 H new ATOM 0 HG2 GLU A 135 63.268 31.039 -4.559 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.998 31.317 -4.510 1.00 25.00 H new ATOM 892 N LEU A 136 62.052 27.997 -4.047 1.00 25.00 N ATOM 893 CA LEU A 136 60.675 27.994 -3.566 1.00 25.00 C ATOM 894 C LEU A 136 60.549 27.261 -2.237 1.00 25.00 C ATOM 895 O LEU A 136 59.878 27.734 -1.329 1.00 25.00 O ATOM 896 CB LEU A 136 59.775 27.325 -4.613 1.00 25.00 C ATOM 897 CG LEU A 136 58.267 27.293 -4.308 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.670 28.702 -4.239 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.556 26.482 -5.391 1.00 25.00 C ATOM 0 H LEU A 136 62.196 27.459 -4.902 1.00 25.00 H new ATOM 0 HA LEU A 136 60.365 29.027 -3.408 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.919 27.838 -5.564 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.116 26.299 -4.750 1.00 25.00 H new ATOM 0 HG LEU A 136 58.125 26.829 -3.332 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.604 28.635 -4.022 1.00 25.00 H new ATOM 0 HD12 LEU A 136 58.166 29.269 -3.451 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.815 29.206 -5.195 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.487 26.455 -5.182 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.724 26.947 -6.363 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.950 25.466 -5.402 1.00 25.00 H new ATOM 911 N GLU A 137 61.206 26.114 -2.129 1.00 25.00 N ATOM 912 CA GLU A 137 61.145 25.299 -0.912 1.00 25.00 C ATOM 913 C GLU A 137 61.792 26.033 0.267 1.00 25.00 C ATOM 914 O GLU A 137 61.338 25.938 1.402 1.00 25.00 O ATOM 915 CB GLU A 137 61.858 23.964 -1.155 1.00 25.00 C ATOM 916 CG GLU A 137 61.505 22.865 -0.152 1.00 25.00 C ATOM 917 CD GLU A 137 60.095 22.318 -0.356 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.763 21.936 -1.501 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.328 22.251 0.628 1.00 25.00 O1- ATOM 0 H GLU A 137 61.790 25.722 -2.868 1.00 25.00 H new ATOM 0 HA GLU A 137 60.099 25.114 -0.665 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.615 23.614 -2.158 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.935 24.131 -1.128 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.224 22.051 -0.243 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.595 23.259 0.860 1.00 25.00 H new ATOM 926 N SER A 138 62.847 26.788 -0.012 1.00 25.00 N ATOM 927 CA SER A 138 63.528 27.550 1.035 1.00 25.00 C ATOM 928 C SER A 138 62.810 28.869 1.335 1.00 25.00 C ATOM 929 O SER A 138 62.937 29.410 2.432 1.00 25.00 O ATOM 930 CB SER A 138 64.963 27.852 0.622 1.00 25.00 C ATOM 931 OG SER A 138 65.666 26.667 0.314 1.00 25.00 O ATOM 0 H SER A 138 63.249 26.891 -0.944 1.00 25.00 H new ATOM 0 HA SER A 138 63.519 26.936 1.936 1.00 25.00 H new ATOM 0 HB2 SER A 138 64.963 28.514 -0.244 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.472 28.381 1.427 1.00 25.00 H new ATOM 0 HG SER A 138 65.476 26.405 -0.611 1.00 25.00 H new ATOM 937 N GLY A 139 62.086 29.400 0.356 1.00 25.00 N ATOM 938 CA GLY A 139 61.358 30.648 0.551 1.00 25.00 C ATOM 939 C GLY A 139 62.274 31.857 0.513 1.00 25.00 C ATOM 940 O GLY A 139 62.067 32.834 1.235 1.00 25.00 O ATOM 0 H GLY A 139 61.988 28.990 -0.573 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.596 30.747 -0.222 1.00 25.00 H new ATOM 0 HA3 GLY A 139 60.838 30.618 1.509 1.00 25.00 H new ATOM 944 N ILE A 140 63.320 31.774 -0.295 1.00 25.00 N ATOM 945 CA ILE A 140 64.363 32.806 -0.337 1.00 25.00 C ATOM 946 C ILE A 140 64.481 33.427 -1.730 1.00 25.00 C ATOM 947 O ILE A 140 64.145 32.794 -2.713 1.00 25.00 O ATOM 948 CB ILE A 140 65.741 32.183 0.061 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.147 31.095 -0.968 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.648 31.615 1.509 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.482 30.419 -0.718 1.00 25.00 C ATOM 0 H ILE A 140 63.476 30.998 -0.939 1.00 25.00 H new ATOM 0 HA ILE A 140 64.084 33.588 0.369 1.00 25.00 H new ATOM 0 HB ILE A 140 66.518 32.947 0.048 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.371 30.330 -0.986 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.170 31.549 -1.959 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.606 31.179 1.791 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.398 32.420 2.200 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.875 30.848 1.550 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.666 29.678 -1.496 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.276 31.165 -0.733 1.00 25.00 H new ATOM 0 HD13 ILE A 140 67.465 29.928 0.255 1.00 25.00 H new ATOM 963 N PRO A 141 64.968 34.676 -1.835 1.00 25.00 N ATOM 964 CA PRO A 141 65.170 35.173 -3.202 1.00 25.00 C ATOM 965 C PRO A 141 66.390 34.528 -3.872 1.00 25.00 C ATOM 966 O PRO A 141 67.457 34.439 -3.253 1.00 25.00 O ATOM 967 CB PRO A 141 65.446 36.674 -2.988 1.00 25.00 C ATOM 968 CG PRO A 141 65.038 36.953 -1.559 1.00 25.00 C ATOM 969 CD PRO A 141 65.361 35.689 -0.842 1.00 25.00 C ATOM 0 HA PRO A 141 64.318 34.954 -3.846 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.498 36.908 -3.150 1.00 25.00 H new ATOM 0 HB3 PRO A 141 64.873 37.283 -3.687 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.587 37.799 -1.145 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.978 37.194 -1.486 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.418 35.622 -0.585 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.800 35.591 0.088 1.00 25.00 H new ATOM 977 N ALA A 142 66.286 34.168 -5.147 1.00 25.00 N ATOM 978 CA ALA A 142 67.438 33.640 -5.890 1.00 25.00 C ATOM 979 C ALA A 142 68.600 34.635 -5.907 1.00 25.00 C ATOM 980 O ALA A 142 69.764 34.243 -5.914 1.00 25.00 O ATOM 981 CB ALA A 142 67.035 33.306 -7.332 1.00 25.00 C ATOM 0 H ALA A 142 65.424 34.229 -5.690 1.00 25.00 H new ATOM 0 HA ALA A 142 67.767 32.734 -5.381 1.00 25.00 H new ATOM 0 HB1 ALA A 142 67.899 32.916 -7.870 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.244 32.557 -7.324 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.676 34.208 -7.828 1.00 25.00 H new ATOM 987 N ALA A 143 68.271 35.921 -5.911 1.00 25.00 N ATOM 988 CA ALA A 143 69.273 36.986 -5.957 1.00 25.00 C ATOM 989 C ALA A 143 70.200 36.969 -4.732 1.00 25.00 C ATOM 990 O ALA A 143 71.320 37.462 -4.788 1.00 25.00 O ATOM 991 CB ALA A 143 68.565 38.346 -6.060 1.00 25.00 C ATOM 0 H ALA A 143 67.308 36.257 -5.883 1.00 25.00 H new ATOM 0 HA ALA A 143 69.898 36.818 -6.834 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.309 39.142 -6.094 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.961 38.374 -6.967 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.922 38.488 -5.192 1.00 25.00 H new ATOM 997 N GLU A 144 69.720 36.411 -3.631 1.00 25.00 N ATOM 998 CA GLU A 144 70.476 36.372 -2.382 1.00 25.00 C ATOM 999 C GLU A 144 71.052 34.975 -2.128 1.00 25.00 C ATOM 1000 O GLU A 144 71.447 34.652 -1.000 1.00 25.00 O ATOM 1001 CB GLU A 144 69.563 36.762 -1.217 1.00 25.00 C ATOM 1002 CG GLU A 144 69.004 38.176 -1.304 1.00 25.00 C ATOM 1003 CD GLU A 144 68.217 38.573 -0.053 1.00 25.00 C ATOM 1004 OE1 GLU A 144 67.952 37.700 0.809 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 67.874 39.764 0.071 1.00 25.00 O1- ATOM 0 H GLU A 144 68.800 35.974 -3.575 1.00 25.00 H new ATOM 0 HA GLU A 144 71.303 37.078 -2.462 1.00 25.00 H new ATOM 0 HB2 GLU A 144 68.732 36.058 -1.170 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.119 36.661 -0.285 1.00 25.00 H new ATOM 0 HG2 GLU A 144 69.824 38.879 -1.452 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.356 38.254 -2.177 1.00 25.00 H new ATOM 1012 N SER A 145 71.077 34.136 -3.157 1.00 25.00 N ATOM 1013 CA SER A 145 71.529 32.753 -3.000 1.00 25.00 C ATOM 1014 C SER A 145 72.608 32.332 -3.994 1.00 25.00 C ATOM 1015 O SER A 145 72.704 32.861 -5.101 1.00 25.00 O ATOM 1016 CB SER A 145 70.334 31.810 -3.145 1.00 25.00 C ATOM 1017 OG SER A 145 69.908 31.738 -4.494 1.00 25.00 O ATOM 0 H SER A 145 70.792 34.384 -4.104 1.00 25.00 H new ATOM 0 HA SER A 145 71.975 32.692 -2.007 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.606 30.815 -2.792 1.00 25.00 H new ATOM 0 HB3 SER A 145 69.513 32.158 -2.518 1.00 25.00 H new ATOM 0 HG SER A 145 69.893 32.638 -4.881 1.00 25.00 H new ATOM 1023 N GLN A 146 73.400 31.345 -3.594 1.00 25.00 N ATOM 1024 CA GLN A 146 74.395 30.712 -4.458 1.00 25.00 C ATOM 1025 C GLN A 146 74.337 29.222 -4.180 1.00 25.00 C ATOM 1026 O GLN A 146 74.227 28.812 -3.032 1.00 25.00 O ATOM 1027 CB GLN A 146 75.802 31.243 -4.174 1.00 25.00 C ATOM 1028 CG GLN A 146 76.079 32.593 -4.820 1.00 25.00 C ATOM 1029 CD GLN A 146 76.001 32.530 -6.336 1.00 25.00 C ATOM 1030 OE1 GLN A 146 76.735 31.788 -6.976 1.00 25.00 O ATOM 1031 NE2 GLN A 146 75.110 33.289 -6.910 1.00 25.00 N ATOM 0 H GLN A 146 73.371 30.956 -2.652 1.00 25.00 H new ATOM 0 HA GLN A 146 74.177 30.932 -5.503 1.00 25.00 H new ATOM 0 HB2 GLN A 146 75.939 31.329 -3.096 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.535 30.520 -4.532 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.360 33.325 -4.451 1.00 25.00 H new ATOM 0 HG3 GLN A 146 77.069 32.940 -4.523 1.00 25.00 H new ATOM 0 HE21 GLN A 146 74.516 33.895 -6.344 1.00 25.00 H new ATOM 0 HE22 GLN A 146 75.007 33.277 -7.925 1.00 25.00 H new ATOM 1040 N ILE A 147 74.371 28.424 -5.236 1.00 25.00 N ATOM 1041 CA ILE A 147 74.186 26.975 -5.137 1.00 25.00 C ATOM 1042 C ILE A 147 75.484 26.252 -5.545 1.00 25.00 C ATOM 1043 O ILE A 147 76.147 26.626 -6.518 1.00 25.00 O ATOM 1044 CB ILE A 147 72.952 26.554 -6.005 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.709 25.042 -5.887 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.124 27.033 -7.478 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.456 24.535 -6.629 1.00 25.00 C ATOM 0 H ILE A 147 74.527 28.757 -6.187 1.00 25.00 H new ATOM 0 HA ILE A 147 73.976 26.683 -4.108 1.00 25.00 H new ATOM 0 HB ILE A 147 72.057 27.048 -5.625 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.582 24.516 -6.273 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.621 24.782 -4.832 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.256 26.730 -8.063 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.215 28.119 -7.499 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.022 26.586 -7.904 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.363 23.458 -6.492 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.571 25.030 -6.229 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.547 24.759 -7.692 1.00 25.00 H new ATOM 1059 N VAL A 148 75.879 25.274 -4.739 1.00 25.00 N ATOM 1060 CA VAL A 148 77.171 24.590 -4.864 1.00 25.00 C ATOM 1061 C VAL A 148 76.999 23.071 -4.738 1.00 25.00 C ATOM 1062 O VAL A 148 76.307 22.590 -3.852 1.00 25.00 O ATOM 1063 CB VAL A 148 78.140 25.085 -3.725 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.510 24.407 -3.807 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.328 26.612 -3.803 1.00 25.00 C ATOM 0 H VAL A 148 75.308 24.925 -3.969 1.00 25.00 H new ATOM 0 HA VAL A 148 77.587 24.821 -5.845 1.00 25.00 H new ATOM 0 HB VAL A 148 77.678 24.816 -2.775 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.148 24.777 -3.004 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.389 23.328 -3.707 1.00 25.00 H new ATOM 0 HG13 VAL A 148 79.971 24.633 -4.769 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.000 26.937 -3.009 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.754 26.877 -4.770 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.363 27.104 -3.685 1.00 25.00 H new ATOM 1075 N TYR A 149 77.667 22.320 -5.598 1.00 25.00 N ATOM 1076 CA TYR A 149 77.659 20.859 -5.541 1.00 25.00 C ATOM 1077 C TYR A 149 79.097 20.387 -5.662 1.00 25.00 C ATOM 1078 O TYR A 149 79.846 20.913 -6.481 1.00 25.00 O ATOM 1079 CB TYR A 149 76.838 20.288 -6.694 1.00 25.00 C ATOM 1080 CG TYR A 149 77.173 18.848 -6.996 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.754 17.810 -6.140 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.937 18.513 -8.135 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.093 16.463 -6.419 1.00 25.00 C ATOM 1084 CE2 TYR A 149 78.266 17.163 -8.420 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.839 16.151 -7.557 1.00 25.00 C ATOM 1086 OH TYR A 149 78.152 14.848 -7.830 1.00 25.00 O ATOM 0 H TYR A 149 78.232 22.701 -6.357 1.00 25.00 H new ATOM 0 HA TYR A 149 77.215 20.522 -4.604 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.778 20.366 -6.452 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.007 20.890 -7.587 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.169 18.044 -5.263 1.00 25.00 H new ATOM 0 HD2 TYR A 149 78.276 19.295 -8.798 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.774 15.677 -5.751 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.843 16.919 -9.299 1.00 25.00 H new ATOM 0 HH TYR A 149 77.474 14.467 -8.426 1.00 25.00 H new ATOM 1096 N ALA A 150 79.487 19.428 -4.827 1.00 25.00 N ATOM 1097 CA ALA A 150 80.853 18.892 -4.822 1.00 25.00 C ATOM 1098 C ALA A 150 81.889 20.029 -4.783 1.00 25.00 C ATOM 1099 O ALA A 150 82.825 20.047 -5.571 1.00 25.00 O ATOM 1100 CB ALA A 150 81.072 17.983 -6.051 1.00 25.00 C ATOM 0 H ALA A 150 78.871 18.999 -4.136 1.00 25.00 H new ATOM 0 HA ALA A 150 80.988 18.292 -3.922 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.089 17.591 -6.037 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.363 17.155 -6.022 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.918 18.560 -6.963 1.00 25.00 H new ATOM 1106 N GLU A 151 81.670 20.985 -3.882 1.00 25.00 N ATOM 1107 CA GLU A 151 82.537 22.173 -3.682 1.00 25.00 C ATOM 1108 C GLU A 151 82.642 23.135 -4.883 1.00 25.00 C ATOM 1109 O GLU A 151 83.377 24.119 -4.821 1.00 25.00 O ATOM 1110 CB GLU A 151 83.965 21.764 -3.283 1.00 25.00 C ATOM 1111 CG GLU A 151 84.069 20.721 -2.178 1.00 25.00 C ATOM 1112 CD GLU A 151 85.518 20.326 -1.929 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.236 20.029 -2.922 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.947 20.325 -0.757 1.00 25.00 O1- ATOM 0 H GLU A 151 80.870 20.966 -3.250 1.00 25.00 H new ATOM 0 HA GLU A 151 82.032 22.715 -2.882 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.474 21.381 -4.168 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.504 22.657 -2.966 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.634 21.115 -1.260 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.491 19.839 -2.451 1.00 25.00 H new ATOM 1121 N ARG A 152 81.918 22.871 -5.963 1.00 25.00 N ATOM 1122 CA ARG A 152 81.979 23.711 -7.165 1.00 25.00 C ATOM 1123 C ARG A 152 80.608 24.343 -7.423 1.00 25.00 C ATOM 1124 O ARG A 152 79.578 23.700 -7.232 1.00 25.00 O ATOM 1125 CB ARG A 152 82.434 22.858 -8.354 1.00 25.00 C ATOM 1126 CG ARG A 152 83.912 22.440 -8.249 1.00 25.00 C ATOM 1127 CD ARG A 152 84.126 20.945 -8.514 1.00 25.00 C ATOM 1128 NE ARG A 152 85.553 20.575 -8.393 1.00 25.00 N ATOM 1129 CZ ARG A 152 86.174 20.229 -7.264 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.573 20.155 -6.110 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 87.447 19.952 -7.306 1.00 25.00 N ATOM 0 H ARG A 152 81.278 22.080 -6.037 1.00 25.00 H new ATOM 0 HA ARG A 152 82.699 24.517 -7.024 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.811 21.966 -8.416 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.283 23.417 -9.277 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.500 23.019 -8.961 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.285 22.685 -7.254 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.536 20.361 -7.808 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.767 20.696 -9.513 1.00 25.00 H new ATOM 0 HE ARG A 152 86.111 20.585 -9.247 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.578 20.367 -6.039 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.098 19.885 -5.278 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.951 20.002 -8.191 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.939 19.685 -6.453 1.00 25.00 H new ATOM 1145 N PRO A 153 80.568 25.634 -7.797 1.00 25.00 N ATOM 1146 CA PRO A 153 79.230 26.214 -7.945 1.00 25.00 C ATOM 1147 C PRO A 153 78.482 25.708 -9.172 1.00 25.00 C ATOM 1148 O PRO A 153 79.068 25.460 -10.223 1.00 25.00 O ATOM 1149 CB PRO A 153 79.519 27.711 -8.055 1.00 25.00 C ATOM 1150 CG PRO A 153 80.854 27.775 -8.692 1.00 25.00 C ATOM 1151 CD PRO A 153 81.619 26.634 -8.065 1.00 25.00 C ATOM 0 HA PRO A 153 78.577 25.945 -7.115 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.765 28.219 -8.657 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.521 28.190 -7.076 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.785 27.661 -9.774 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.340 28.732 -8.503 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.384 26.245 -8.736 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.125 26.942 -7.150 1.00 25.00 H new ATOM 1159 N LEU A 154 77.170 25.605 -9.041 1.00 25.00 N ATOM 1160 CA LEU A 154 76.300 25.202 -10.148 1.00 25.00 C ATOM 1161 C LEU A 154 75.807 26.474 -10.836 1.00 0.00 C ATOM 1162 O LEU A 154 74.609 26.770 -10.879 1.00 25.00 O ATOM 1163 CB LEU A 154 75.122 24.353 -9.639 1.00 25.00 C ATOM 1164 CG LEU A 154 75.457 22.935 -9.150 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.250 22.337 -8.424 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.848 22.029 -10.317 1.00 25.00 C ATOM 0 H LEU A 154 76.674 25.796 -8.171 1.00 25.00 H new ATOM 0 HA LEU A 154 76.850 24.583 -10.857 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.642 24.891 -8.821 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.388 24.272 -10.441 1.00 25.00 H new ATOM 0 HG LEU A 154 76.303 23.004 -8.466 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.494 21.332 -8.080 1.00 25.00 H new ATOM 0 HD12 LEU A 154 73.994 22.962 -7.568 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.401 22.291 -9.106 1.00 25.00 H new ATOM 0 HD21 LEU A 154 76.080 21.032 -9.942 1.00 25.00 H new ATOM 0 HD22 LEU A 154 75.020 21.968 -11.023 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.724 22.440 -10.819 1.00 25.00 H new ATOM 1178 N THR A 155 76.758 27.267 -11.311 1.00 25.00 N ATOM 1179 CA THR A 155 76.461 28.549 -11.943 1.00 25.00 C ATOM 1180 C THR A 155 75.822 28.352 -13.311 1.00 25.00 C ATOM 1181 O THR A 155 74.914 29.090 -13.692 1.00 25.00 O ATOM 1182 CB THR A 155 77.753 29.351 -12.131 1.00 25.00 C ATOM 1183 OG1 THR A 155 78.855 28.440 -12.187 1.00 25.00 O ATOM 1184 CG2 THR A 155 77.979 30.297 -10.963 1.00 25.00 C ATOM 0 H THR A 155 77.752 27.043 -11.270 1.00 25.00 H new ATOM 0 HA THR A 155 75.768 29.084 -11.293 1.00 25.00 H new ATOM 0 HB THR A 155 77.671 29.931 -13.050 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.688 28.941 -12.309 1.00 25.00 H new ATOM 0 HG21 THR A 155 78.902 30.855 -11.120 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.143 30.992 -10.891 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.054 29.723 -10.039 1.00 25.00 H new ATOM 1192 N ASP A 156 76.280 27.343 -14.037 1.00 25.00 N ATOM 1193 CA ASP A 156 75.720 27.031 -15.348 1.00 25.00 C ATOM 1194 C ASP A 156 74.371 26.361 -15.177 1.00 25.00 C ATOM 1195 O ASP A 156 74.232 25.413 -14.420 1.00 25.00 O ATOM 1196 CB ASP A 156 76.633 26.076 -16.121 1.00 25.00 C ATOM 1197 CG ASP A 156 77.770 26.786 -16.819 1.00 25.00 C ATOM 1198 OD1 ASP A 156 77.596 27.959 -17.202 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.793 26.130 -17.085 1.00 25.00 O1- ATOM 0 H ASP A 156 77.037 26.726 -13.743 1.00 25.00 H new ATOM 0 HA ASP A 156 75.621 27.964 -15.902 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.041 25.335 -15.433 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.042 25.534 -16.859 1.00 25.00 H new ATOM 1204 N ASN A 157 73.371 26.864 -15.887 1.00 25.00 N ATOM 1205 CA ASN A 157 72.042 26.242 -15.898 1.00 25.00 C ATOM 1206 C ASN A 157 71.834 25.358 -17.139 1.00 25.00 C ATOM 1207 O ASN A 157 70.735 24.898 -17.405 1.00 25.00 O ATOM 1208 CB ASN A 157 70.937 27.309 -15.783 1.00 25.00 C ATOM 1209 CG ASN A 157 70.641 28.012 -17.095 1.00 25.00 C ATOM 1210 OD1 ASN A 157 69.559 27.885 -17.628 1.00 25.00 O ATOM 1211 ND2 ASN A 157 71.570 28.794 -17.581 1.00 25.00 N ATOM 0 H ASN A 157 73.448 27.701 -16.465 1.00 25.00 H new ATOM 0 HA ASN A 157 71.978 25.591 -15.026 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.024 26.839 -15.417 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.233 28.050 -15.041 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.396 29.322 -18.436 1.00 25.00 H new ATOM 0 HD22 ASN A 157 72.468 28.876 -17.105 1.00 25.00 H new ATOM 1218 N HIS A 158 72.887 25.227 -17.936 1.00 25.00 N ATOM 1219 CA HIS A 158 72.799 24.694 -19.304 1.00 25.00 C ATOM 1220 C HIS A 158 72.707 23.177 -19.501 1.00 25.00 C ATOM 1221 O HIS A 158 72.710 22.711 -20.637 1.00 25.00 O ATOM 1222 CB HIS A 158 74.027 25.182 -20.079 1.00 25.00 C ATOM 1223 CG HIS A 158 74.279 26.650 -19.934 1.00 25.00 C ATOM 1224 ND1 HIS A 158 75.440 27.196 -19.439 1.00 25.00 N ATOM 1225 CD2 HIS A 158 73.485 27.715 -20.225 1.00 25.00 C ATOM 1226 CE1 HIS A 158 75.311 28.517 -19.438 1.00 25.00 C ATOM 1227 NE2 HIS A 158 74.134 28.890 -19.899 1.00 25.00 N ATOM 0 H HIS A 158 73.833 25.486 -17.657 1.00 25.00 H new ATOM 0 HA HIS A 158 71.837 25.065 -19.659 1.00 25.00 H new ATOM 0 HB2 HIS A 158 74.905 24.635 -19.735 1.00 25.00 H new ATOM 0 HB3 HIS A 158 73.898 24.946 -21.135 1.00 25.00 H new ATOM 0 HD2 HIS A 158 72.493 27.652 -20.648 1.00 25.00 H new ATOM 0 HE1 HIS A 158 76.076 29.201 -19.101 1.00 25.00 H new ATOM 0 HE2 HIS A 158 73.779 29.841 -19.994 1.00 25.00 H new ATOM 1235 N ARG A 159 72.676 22.400 -18.429 1.00 25.00 N ATOM 1236 CA ARG A 159 72.626 20.935 -18.549 1.00 25.00 C ATOM 1237 C ARG A 159 71.638 20.359 -17.552 1.00 25.00 C ATOM 1238 O ARG A 159 71.230 21.038 -16.616 1.00 25.00 O ATOM 1239 CB ARG A 159 74.006 20.319 -18.287 1.00 25.00 C ATOM 1240 CG ARG A 159 75.078 20.679 -19.292 1.00 25.00 C ATOM 1241 CD ARG A 159 76.384 20.027 -18.883 1.00 25.00 C ATOM 1242 NE ARG A 159 77.460 20.283 -19.852 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.690 19.790 -19.772 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.069 19.013 -18.784 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.555 20.081 -20.704 1.00 25.00 N ATOM 0 H ARG A 159 72.684 22.747 -17.470 1.00 25.00 H new ATOM 0 HA ARG A 159 72.311 20.695 -19.564 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.341 20.628 -17.297 1.00 25.00 H new ATOM 0 HB3 ARG A 159 73.903 19.234 -18.264 1.00 25.00 H new ATOM 0 HG2 ARG A 159 74.787 20.344 -20.288 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.198 21.761 -19.342 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.683 20.400 -17.903 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.236 18.952 -18.783 1.00 25.00 H new ATOM 0 HE ARG A 159 77.245 20.885 -20.646 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.410 18.770 -18.045 1.00 25.00 H new ATOM 0 HH12 ARG A 159 80.023 18.653 -18.756 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.283 20.681 -21.483 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.503 19.709 -20.654 1.00 25.00 H new ATOM 1259 N SER A 160 71.287 19.101 -17.743 1.00 25.00 N ATOM 1260 CA SER A 160 70.419 18.391 -16.821 1.00 25.00 C ATOM 1261 C SER A 160 71.178 17.966 -15.567 1.00 25.00 C ATOM 1262 O SER A 160 72.407 17.916 -15.570 1.00 25.00 O ATOM 1263 CB SER A 160 69.874 17.161 -17.521 1.00 25.00 C ATOM 1264 OG SER A 160 70.047 17.286 -18.923 1.00 25.00 O ATOM 0 H SER A 160 71.595 18.543 -18.540 1.00 25.00 H new ATOM 0 HA SER A 160 69.608 19.053 -16.518 1.00 25.00 H new ATOM 0 HB2 SER A 160 70.387 16.270 -17.161 1.00 25.00 H new ATOM 0 HB3 SER A 160 68.817 17.037 -17.286 1.00 25.00 H new ATOM 0 HG SER A 160 69.422 16.689 -19.384 1.00 25.00 H new ATOM 1270 N LEU A 161 70.457 17.636 -14.506 1.00 25.00 N ATOM 1271 CA LEU A 161 71.074 17.258 -13.232 1.00 25.00 C ATOM 1272 C LEU A 161 71.984 16.027 -13.354 1.00 25.00 C ATOM 1273 O LEU A 161 73.128 16.032 -12.873 1.00 25.00 O ATOM 1274 CB LEU A 161 69.961 16.981 -12.216 1.00 25.00 C ATOM 1275 CG LEU A 161 69.322 18.169 -11.471 1.00 25.00 C ATOM 1276 CD1 LEU A 161 70.254 18.694 -10.402 1.00 25.00 C ATOM 1277 CD2 LEU A 161 68.902 19.326 -12.355 1.00 25.00 C ATOM 0 H LEU A 161 69.437 17.621 -14.497 1.00 25.00 H new ATOM 0 HA LEU A 161 71.707 18.084 -12.906 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.164 16.451 -12.737 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.361 16.298 -11.466 1.00 25.00 H new ATOM 0 HG LEU A 161 68.411 17.758 -11.036 1.00 25.00 H new ATOM 0 HD11 LEU A 161 69.783 19.532 -9.888 1.00 25.00 H new ATOM 0 HD12 LEU A 161 70.467 17.902 -9.684 1.00 25.00 H new ATOM 0 HD13 LEU A 161 71.185 19.027 -10.862 1.00 25.00 H new ATOM 0 HD21 LEU A 161 68.464 20.113 -11.741 1.00 25.00 H new ATOM 0 HD22 LEU A 161 69.773 19.718 -12.879 1.00 25.00 H new ATOM 0 HD23 LEU A 161 68.166 18.981 -13.081 1.00 25.00 H new ATOM 1289 N ALA A 162 71.510 14.994 -14.038 1.00 25.00 N ATOM 1290 CA ALA A 162 72.310 13.785 -14.235 1.00 25.00 C ATOM 1291 C ALA A 162 73.588 14.102 -15.022 1.00 25.00 C ATOM 1292 O ALA A 162 74.622 13.475 -14.822 1.00 25.00 O ATOM 1293 CB ALA A 162 71.488 12.718 -14.959 1.00 25.00 C ATOM 0 H ALA A 162 70.584 14.965 -14.464 1.00 25.00 H new ATOM 0 HA ALA A 162 72.598 13.400 -13.257 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.095 11.824 -15.099 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.609 12.470 -14.364 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.173 13.099 -15.931 1.00 25.00 H new ATOM 1299 N SER A 163 73.526 15.102 -15.889 1.00 25.00 N ATOM 1300 CA SER A 163 74.689 15.510 -16.679 1.00 25.00 C ATOM 1301 C SER A 163 75.740 16.240 -15.836 1.00 25.00 C ATOM 1302 O SER A 163 76.894 16.357 -16.256 1.00 25.00 O ATOM 1303 CB SER A 163 74.264 16.397 -17.846 1.00 25.00 C ATOM 1304 OG SER A 163 75.383 16.702 -18.662 1.00 25.00 O ATOM 0 H SER A 163 72.684 15.649 -16.067 1.00 25.00 H new ATOM 0 HA SER A 163 75.143 14.596 -17.061 1.00 25.00 H new ATOM 0 HB2 SER A 163 73.501 15.891 -18.437 1.00 25.00 H new ATOM 0 HB3 SER A 163 73.818 17.317 -17.469 1.00 25.00 H new ATOM 0 HG SER A 163 75.078 17.132 -19.488 1.00 25.00 H new ATOM 1310 N TYR A 164 75.362 16.707 -14.650 1.00 25.00 N ATOM 1311 CA TYR A 164 76.327 17.296 -13.713 1.00 25.00 C ATOM 1312 C TYR A 164 76.780 16.218 -12.729 1.00 25.00 C ATOM 1313 O TYR A 164 77.624 16.460 -11.871 1.00 25.00 O ATOM 1314 CB TYR A 164 75.709 18.466 -12.936 1.00 25.00 C ATOM 1315 CG TYR A 164 75.540 19.725 -13.748 1.00 25.00 C ATOM 1316 CD1 TYR A 164 76.658 20.515 -14.090 1.00 25.00 C ATOM 1317 CD2 TYR A 164 74.268 20.147 -14.167 1.00 25.00 C ATOM 1318 CE1 TYR A 164 76.503 21.700 -14.856 1.00 25.00 C ATOM 1319 CE2 TYR A 164 74.112 21.329 -14.926 1.00 25.00 C ATOM 1320 CZ TYR A 164 75.227 22.088 -15.272 1.00 25.00 C ATOM 1321 OH TYR A 164 75.067 23.210 -16.037 1.00 25.00 O ATOM 0 H TYR A 164 74.400 16.692 -14.311 1.00 25.00 H new ATOM 0 HA TYR A 164 77.175 17.678 -14.282 1.00 25.00 H new ATOM 0 HB2 TYR A 164 74.735 18.160 -12.554 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.336 18.686 -12.072 1.00 25.00 H new ATOM 0 HD1 TYR A 164 77.643 20.215 -13.765 1.00 25.00 H new ATOM 0 HD2 TYR A 164 73.399 19.562 -13.906 1.00 25.00 H new ATOM 0 HE1 TYR A 164 77.365 22.297 -15.115 1.00 25.00 H new ATOM 0 HE2 TYR A 164 73.127 21.644 -15.238 1.00 25.00 H new ATOM 0 HH TYR A 164 74.750 23.947 -15.474 1.00 25.00 H new ATOM 1331 N GLY A 165 76.216 15.024 -12.866 1.00 25.00 N ATOM 1332 CA GLY A 165 76.554 13.919 -11.984 1.00 25.00 C ATOM 1333 C GLY A 165 75.776 13.952 -10.685 1.00 25.00 C ATOM 1334 O GLY A 165 76.198 13.351 -9.698 1.00 25.00 O ATOM 0 H GLY A 165 75.523 14.799 -13.580 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.359 12.977 -12.496 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.621 13.947 -11.765 1.00 25.00 H new ATOM 1338 N LEU A 166 74.649 14.656 -10.668 1.00 25.00 N ATOM 1339 CA LEU A 166 73.858 14.781 -9.440 1.00 25.00 C ATOM 1340 C LEU A 166 73.061 13.496 -9.236 1.00 25.00 C ATOM 1341 O LEU A 166 71.900 13.397 -9.609 1.00 25.00 O ATOM 1342 CB LEU A 166 72.912 15.991 -9.507 1.00 25.00 C ATOM 1343 CG LEU A 166 73.467 17.425 -9.340 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.099 17.941 -7.961 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.954 17.572 -9.523 1.00 25.00 C ATOM 0 H LEU A 166 74.263 15.144 -11.476 1.00 25.00 H new ATOM 0 HA LEU A 166 74.532 14.939 -8.598 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.405 15.951 -10.471 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.151 15.848 -8.740 1.00 25.00 H new ATOM 0 HG LEU A 166 73.010 18.004 -10.143 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.487 18.952 -7.835 1.00 25.00 H new ATOM 0 HD12 LEU A 166 72.014 17.953 -7.854 1.00 25.00 H new ATOM 0 HD13 LEU A 166 73.531 17.290 -7.201 1.00 25.00 H new ATOM 0 HD21 LEU A 166 75.236 18.616 -9.384 1.00 25.00 H new ATOM 0 HD22 LEU A 166 75.474 16.955 -8.790 1.00 25.00 H new ATOM 0 HD23 LEU A 166 75.230 17.252 -10.528 1.00 25.00 H new ATOM 1357 N LYS A 167 73.742 12.494 -8.705 1.00 25.00 N ATOM 1358 CA LYS A 167 73.160 11.166 -8.482 1.00 25.00 C ATOM 1359 C LYS A 167 72.115 11.146 -7.364 1.00 25.00 C ATOM 1360 O LYS A 167 72.123 11.977 -6.448 1.00 25.00 O ATOM 1361 CB LYS A 167 74.274 10.174 -8.114 1.00 25.00 C ATOM 1362 CG LYS A 167 74.919 10.499 -6.774 1.00 25.00 C ATOM 1363 CD LYS A 167 75.928 9.492 -6.317 1.00 25.00 C ATOM 1364 CE LYS A 167 76.329 9.854 -4.893 1.00 25.00 C ATOM 1365 NZ LYS A 167 77.342 8.929 -4.325 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.716 12.571 -8.413 1.00 25.00 H new ATOM 0 HA LYS A 167 72.662 10.886 -9.410 1.00 25.00 H new ATOM 0 HB2 LYS A 167 73.863 9.165 -8.081 1.00 25.00 H new ATOM 0 HB3 LYS A 167 75.036 10.182 -8.893 1.00 25.00 H new ATOM 0 HG2 LYS A 167 75.401 11.474 -6.843 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.138 10.582 -6.018 1.00 25.00 H new ATOM 0 HD2 LYS A 167 75.509 8.487 -6.353 1.00 25.00 H new ATOM 0 HD3 LYS A 167 76.799 9.498 -6.973 1.00 25.00 H new ATOM 0 HE2 LYS A 167 76.724 10.870 -4.879 1.00 25.00 H new ATOM 0 HE3 LYS A 167 75.443 9.848 -4.259 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 77.576 9.224 -3.356 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 76.959 7.962 -4.310 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 78.201 8.952 -4.911 1.00 25.00 H new ATOM 1379 N ASP A 168 71.297 10.108 -7.388 1.00 25.00 N ATOM 1380 CA ASP A 168 70.369 9.842 -6.303 1.00 25.00 C ATOM 1381 C ASP A 168 71.146 9.729 -4.993 1.00 25.00 C ATOM 1382 O ASP A 168 72.148 9.007 -4.901 1.00 25.00 O ATOM 1383 CB ASP A 168 69.620 8.534 -6.564 1.00 25.00 C ATOM 1384 CG ASP A 168 68.500 8.304 -5.575 1.00 25.00 C ATOM 1385 OD1 ASP A 168 68.751 7.740 -4.495 1.00 25.00 O ATOM 1386 OD2 ASP A 168 67.356 8.679 -5.895 1.00 25.00 O1- ATOM 0 H ASP A 168 71.257 9.433 -8.151 1.00 25.00 H new ATOM 0 HA ASP A 168 69.649 10.658 -6.237 1.00 25.00 H new ATOM 0 HB2 ASP A 168 69.212 8.548 -7.575 1.00 25.00 H new ATOM 0 HB3 ASP A 168 70.321 7.701 -6.515 1.00 25.00 H new ATOM 1391 N GLY A 169 70.701 10.481 -4.001 1.00 25.00 N ATOM 1392 CA GLY A 169 71.306 10.448 -2.687 1.00 25.00 C ATOM 1393 C GLY A 169 72.409 11.465 -2.490 1.00 25.00 C ATOM 1394 O GLY A 169 72.971 11.545 -1.399 1.00 25.00 O ATOM 0 H GLY A 169 69.916 11.126 -4.086 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.532 10.617 -1.938 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.709 9.451 -2.509 1.00 25.00 H new ATOM 1398 N ASP A 170 72.746 12.242 -3.512 1.00 25.00 N ATOM 1399 CA ASP A 170 73.793 13.249 -3.334 1.00 25.00 C ATOM 1400 C ASP A 170 73.272 14.508 -2.631 1.00 25.00 C ATOM 1401 O ASP A 170 72.056 14.716 -2.509 1.00 25.00 O ATOM 1402 CB ASP A 170 74.436 13.612 -4.660 1.00 25.00 C ATOM 1403 CG ASP A 170 75.948 13.697 -4.552 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.442 14.288 -3.567 1.00 25.00 O ATOM 1405 OD2 ASP A 170 76.648 13.109 -5.400 1.00 25.00 O1- ATOM 0 H ASP A 170 72.329 12.202 -4.442 1.00 25.00 H new ATOM 0 HA ASP A 170 74.551 12.802 -2.690 1.00 25.00 H new ATOM 0 HB2 ASP A 170 74.167 12.868 -5.410 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.042 14.568 -5.005 1.00 25.00 H new ATOM 1410 N VAL A 171 74.198 15.329 -2.150 1.00 25.00 N ATOM 1411 CA VAL A 171 73.867 16.517 -1.363 1.00 25.00 C ATOM 1412 C VAL A 171 74.348 17.794 -2.050 1.00 25.00 C ATOM 1413 O VAL A 171 75.509 17.907 -2.457 1.00 25.00 O ATOM 1414 CB VAL A 171 74.499 16.437 0.065 1.00 25.00 C ATOM 1415 CG1 VAL A 171 74.045 17.629 0.940 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.109 15.114 0.758 1.00 25.00 C ATOM 0 H VAL A 171 75.199 15.193 -2.293 1.00 25.00 H new ATOM 0 HA VAL A 171 72.781 16.548 -1.278 1.00 25.00 H new ATOM 0 HB VAL A 171 75.582 16.477 -0.051 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.499 17.549 1.928 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.356 18.563 0.472 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.959 17.616 1.037 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.558 15.077 1.750 1.00 25.00 H new ATOM 0 HG22 VAL A 171 73.024 15.057 0.848 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.469 14.273 0.165 1.00 25.00 H new ATOM 1426 N VAL A 172 73.456 18.766 -2.155 1.00 25.00 N ATOM 1427 CA VAL A 172 73.761 20.061 -2.747 1.00 25.00 C ATOM 1428 C VAL A 172 73.741 21.078 -1.615 1.00 25.00 C ATOM 1429 O VAL A 172 72.867 21.032 -0.759 1.00 25.00 O ATOM 1430 CB VAL A 172 72.699 20.437 -3.812 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.143 21.666 -4.602 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.466 19.260 -4.766 1.00 25.00 C ATOM 0 H VAL A 172 72.493 18.679 -1.830 1.00 25.00 H new ATOM 0 HA VAL A 172 74.732 20.038 -3.243 1.00 25.00 H new ATOM 0 HB VAL A 172 71.766 20.670 -3.299 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.385 21.915 -5.345 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.275 22.508 -3.922 1.00 25.00 H new ATOM 0 HG13 VAL A 172 74.087 21.454 -5.104 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.718 19.537 -5.509 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.400 19.008 -5.268 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.114 18.397 -4.200 1.00 25.00 H new ATOM 1442 N ILE A 173 74.704 21.982 -1.589 1.00 25.00 N ATOM 1443 CA ILE A 173 74.794 22.977 -0.524 1.00 25.00 C ATOM 1444 C ILE A 173 74.482 24.344 -1.117 1.00 25.00 C ATOM 1445 O ILE A 173 75.063 24.745 -2.118 1.00 25.00 O ATOM 1446 CB ILE A 173 76.209 22.988 0.133 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.537 21.582 0.690 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.268 24.047 1.279 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.984 21.407 1.183 1.00 25.00 C ATOM 0 H ILE A 173 75.439 22.051 -2.293 1.00 25.00 H new ATOM 0 HA ILE A 173 74.077 22.727 0.258 1.00 25.00 H new ATOM 0 HB ILE A 173 76.948 23.255 -0.623 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.858 21.365 1.515 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.341 20.843 -0.087 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.261 24.043 1.728 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.058 25.036 0.872 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.526 23.803 2.039 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.121 20.392 1.555 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.674 21.588 0.358 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.184 22.118 1.985 1.00 25.00 H new ATOM 1461 N LEU A 174 73.570 25.063 -0.493 1.00 25.00 N ATOM 1462 CA LEU A 174 73.202 26.399 -0.936 1.00 25.00 C ATOM 1463 C LEU A 174 73.606 27.366 0.165 1.00 25.00 C ATOM 1464 O LEU A 174 73.498 27.050 1.340 1.00 25.00 O ATOM 1465 CB LEU A 174 71.692 26.447 -1.220 1.00 25.00 C ATOM 1466 CG LEU A 174 71.103 27.788 -1.699 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.960 27.535 -2.676 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.591 28.629 -0.523 1.00 25.00 C ATOM 0 H LEU A 174 73.063 24.742 0.332 1.00 25.00 H new ATOM 0 HA LEU A 174 73.710 26.674 -1.861 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.467 25.692 -1.973 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.169 26.155 -0.310 1.00 25.00 H new ATOM 0 HG LEU A 174 71.900 28.342 -2.195 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.549 28.488 -3.010 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.333 26.979 -3.536 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.180 26.957 -2.181 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.183 29.568 -0.898 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.812 28.079 0.005 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.414 28.838 0.160 1.00 25.00 H new ATOM 1480 N ARG A 175 74.064 28.549 -0.208 1.00 25.00 N ATOM 1481 CA ARG A 175 74.372 29.602 0.761 1.00 25.00 C ATOM 1482 C ARG A 175 73.482 30.783 0.467 1.00 25.00 C ATOM 1483 O ARG A 175 73.338 31.188 -0.680 1.00 25.00 O ATOM 1484 CB ARG A 175 75.833 30.030 0.680 1.00 25.00 C ATOM 1485 CG ARG A 175 76.745 29.196 1.553 1.00 25.00 C ATOM 1486 CD ARG A 175 78.122 29.829 1.627 1.00 25.00 C ATOM 1487 NE ARG A 175 78.974 29.159 2.622 1.00 25.00 N ATOM 1488 CZ ARG A 175 80.196 29.546 2.967 1.00 25.00 C ATOM 1489 NH1 ARG A 175 80.780 30.588 2.424 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.842 28.875 3.878 1.00 25.00 N ATOM 0 H ARG A 175 74.233 28.811 -1.179 1.00 25.00 H new ATOM 0 HA ARG A 175 74.198 29.221 1.767 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.168 29.962 -0.355 1.00 25.00 H new ATOM 0 HB3 ARG A 175 75.916 31.076 0.974 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.323 29.109 2.554 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.822 28.186 1.150 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.598 29.780 0.648 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.025 30.884 1.882 1.00 25.00 H new ATOM 0 HE ARG A 175 78.596 28.332 3.083 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.294 31.131 1.711 1.00 25.00 H new ATOM 0 HH12 ARG A 175 81.720 30.855 2.715 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.408 28.063 4.317 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.782 29.162 4.152 1.00 25.00 H new ATOM 1504 N GLN A 176 72.879 31.318 1.518 1.00 25.00 N ATOM 1505 CA GLN A 176 71.967 32.453 1.436 1.00 25.00 C ATOM 1506 C GLN A 176 72.538 33.669 2.174 1.00 25.00 C ATOM 1507 O GLN A 176 73.022 33.611 3.293 1.00 25.00 O ATOM 1508 CB GLN A 176 70.601 32.021 1.997 1.00 25.00 C ATOM 1509 CG GLN A 176 69.430 32.791 1.368 1.00 25.00 C ATOM 1510 CD GLN A 176 69.199 34.157 1.954 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.662 34.549 3.000 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.407 34.924 1.238 1.00 25.00 N ATOM 1513 OXT GLN A 176 72.553 34.678 1.525 1.00 25.00 O ATOM 0 H GLN A 176 73.011 30.971 2.468 1.00 25.00 H new ATOM 0 HA GLN A 176 71.840 32.759 0.397 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.463 30.954 1.824 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.592 32.173 3.076 1.00 25.00 H new ATOM 0 HG2 GLN A 176 69.611 32.894 0.298 1.00 25.00 H new ATOM 0 HG3 GLN A 176 68.520 32.201 1.482 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.024 34.580 0.358 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.176 35.863 1.563 1.00 25.00 H new TER 1523 GLN A 176