USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 488 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 NoAdj-H: A 122 HIS HE2 : A 122 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 126 HIS HE2 : A 126 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 150 HIS HE2 : A 150 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD NoAdj-H: A 155 HIS HE2 : A 155 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -10:sc= 0.53 USER MOD Single : A 116 GLN : amide:sc= -2.25! C(o=-2.2!,f=-2.8!) USER MOD Single : A 118 HIS : no HD1:sc= -0.452 K(o=-0.45,f=-1.3) USER MOD Single : A 120 LYS NZ :NH3+ -113:sc= -0.0176 (180deg=-0.25) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 128 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.7!) USER MOD Single : A 130 LYS NZ :NH3+ 140:sc= -0.434 (180deg=-1.68) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc=-0.00444 USER MOD Single : A 152 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.52) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot -25:sc= 1.91 USER MOD Single : A 158 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -27.190 17.677 42.127 1.00 0.00 N ATOM 2 CA ARG A 102 -26.918 17.233 40.720 1.00 0.00 C ATOM 3 C ARG A 102 -25.795 16.188 40.701 1.00 0.00 C ATOM 4 O ARG A 102 -24.779 16.345 41.353 1.00 0.00 O ATOM 5 CB ARG A 102 -26.499 18.441 39.880 1.00 0.00 C ATOM 6 CG ARG A 102 -25.311 19.143 40.543 1.00 0.00 C ATOM 7 CD ARG A 102 -24.876 20.333 39.687 1.00 0.00 C ATOM 8 NE ARG A 102 -23.406 20.534 39.827 1.00 0.00 N ATOM 9 CZ ARG A 102 -22.937 21.278 40.791 1.00 0.00 C ATOM 10 NH1 ARG A 102 -23.455 22.454 41.019 1.00 0.00 N ATOM 11 NH2 ARG A 102 -21.951 20.846 41.528 1.00 0.00 N ATOM 0 HA ARG A 102 -27.824 16.789 40.307 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -26.229 18.120 38.874 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -27.334 19.134 39.780 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -25.587 19.482 41.542 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -24.482 18.445 40.661 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -25.132 20.156 38.642 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -25.408 21.232 39.998 1.00 0.00 H new ATOM 0 HE ARG A 102 -22.766 20.090 39.169 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -24.227 22.792 40.444 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -23.088 23.035 41.773 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -21.547 19.927 41.351 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -21.585 21.428 42.281 1.00 0.00 H new ATOM 25 N SER A 103 -25.977 15.123 39.962 1.00 0.00 N ATOM 26 CA SER A 103 -24.930 14.063 39.900 1.00 0.00 C ATOM 27 C SER A 103 -24.432 13.910 38.460 1.00 0.00 C ATOM 28 O SER A 103 -24.627 14.782 37.634 1.00 0.00 O ATOM 29 CB SER A 103 -25.524 12.739 40.389 1.00 0.00 C ATOM 30 OG SER A 103 -24.532 12.014 41.103 1.00 0.00 O ATOM 0 H SER A 103 -26.808 14.943 39.398 1.00 0.00 H new ATOM 0 HA SER A 103 -24.090 14.342 40.536 1.00 0.00 H new ATOM 0 HB2 SER A 103 -26.385 12.928 41.031 1.00 0.00 H new ATOM 0 HB3 SER A 103 -25.881 12.152 39.542 1.00 0.00 H new ATOM 0 HG SER A 103 -24.910 11.167 41.419 1.00 0.00 H new ATOM 36 N PHE A 104 -23.791 12.809 38.158 1.00 0.00 N ATOM 37 CA PHE A 104 -23.275 12.593 36.776 1.00 0.00 C ATOM 38 C PHE A 104 -24.360 11.919 35.939 1.00 0.00 C ATOM 39 O PHE A 104 -24.517 10.713 35.964 1.00 0.00 O ATOM 40 CB PHE A 104 -22.036 11.695 36.824 1.00 0.00 C ATOM 41 CG PHE A 104 -21.027 12.268 37.790 1.00 0.00 C ATOM 42 CD1 PHE A 104 -20.071 13.189 37.342 1.00 0.00 C ATOM 43 CD2 PHE A 104 -21.046 11.878 39.134 1.00 0.00 C ATOM 44 CE1 PHE A 104 -19.135 13.718 38.239 1.00 0.00 C ATOM 45 CE2 PHE A 104 -20.110 12.407 40.031 1.00 0.00 C ATOM 46 CZ PHE A 104 -19.155 13.328 39.583 1.00 0.00 C ATOM 0 H PHE A 104 -23.603 12.049 38.812 1.00 0.00 H new ATOM 0 HA PHE A 104 -23.007 13.551 36.331 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -22.317 10.688 37.132 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -21.596 11.613 35.830 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -20.056 13.491 36.305 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -21.783 11.168 39.480 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -18.397 14.427 37.894 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -20.125 12.105 41.068 1.00 0.00 H new ATOM 0 HZ PHE A 104 -18.434 13.737 40.275 1.00 0.00 H new ATOM 56 N VAL A 105 -25.111 12.693 35.201 1.00 0.00 N ATOM 57 CA VAL A 105 -26.200 12.112 34.356 1.00 0.00 C ATOM 58 C VAL A 105 -25.786 12.190 32.881 1.00 0.00 C ATOM 59 O VAL A 105 -25.196 13.156 32.437 1.00 0.00 O ATOM 60 CB VAL A 105 -27.534 12.870 34.614 1.00 0.00 C ATOM 61 CG1 VAL A 105 -27.277 14.378 34.732 1.00 0.00 C ATOM 62 CG2 VAL A 105 -28.557 12.620 33.485 1.00 0.00 C ATOM 0 H VAL A 105 -25.018 13.707 35.146 1.00 0.00 H new ATOM 0 HA VAL A 105 -26.359 11.066 34.617 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.947 12.490 35.548 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.220 14.895 34.912 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -26.595 14.567 35.561 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -26.833 14.745 33.806 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -29.476 13.165 33.700 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.144 12.964 32.537 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -28.774 11.554 33.420 1.00 0.00 H new ATOM 72 N CYS A 106 -26.106 11.169 32.128 1.00 0.00 N ATOM 73 CA CYS A 106 -25.753 11.159 30.681 1.00 0.00 C ATOM 74 C CYS A 106 -26.554 12.245 29.963 1.00 0.00 C ATOM 75 O CYS A 106 -27.707 12.481 30.270 1.00 0.00 O ATOM 76 CB CYS A 106 -26.093 9.789 30.085 1.00 0.00 C ATOM 77 SG CYS A 106 -25.500 9.704 28.376 1.00 0.00 S ATOM 0 H CYS A 106 -26.599 10.339 32.457 1.00 0.00 H new ATOM 0 HA CYS A 106 -24.687 11.351 30.559 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -25.634 8.999 30.679 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -27.170 9.626 30.115 1.00 0.00 H new ATOM 82 N GLU A 107 -25.951 12.909 29.008 1.00 0.00 N ATOM 83 CA GLU A 107 -26.672 13.986 28.265 1.00 0.00 C ATOM 84 C GLU A 107 -27.356 13.409 27.018 1.00 0.00 C ATOM 85 O GLU A 107 -27.599 14.119 26.060 1.00 0.00 O ATOM 86 CB GLU A 107 -25.671 15.064 27.841 1.00 0.00 C ATOM 87 CG GLU A 107 -25.089 15.737 29.086 1.00 0.00 C ATOM 88 CD GLU A 107 -24.796 17.207 28.782 1.00 0.00 C ATOM 89 OE1 GLU A 107 -24.240 17.476 27.730 1.00 0.00 O ATOM 90 OE2 GLU A 107 -25.132 18.040 29.608 1.00 0.00 O ATOM 0 H GLU A 107 -24.988 12.750 28.711 1.00 0.00 H new ATOM 0 HA GLU A 107 -27.432 14.418 28.916 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -24.872 14.620 27.247 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -26.163 15.805 27.210 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -25.791 15.659 29.916 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -24.175 15.229 29.393 1.00 0.00 H new ATOM 97 N VAL A 108 -27.669 12.135 27.017 1.00 0.00 N ATOM 98 CA VAL A 108 -28.335 11.527 25.828 1.00 0.00 C ATOM 99 C VAL A 108 -29.618 10.817 26.260 1.00 0.00 C ATOM 100 O VAL A 108 -30.673 11.028 25.692 1.00 0.00 O ATOM 101 CB VAL A 108 -27.389 10.519 25.169 1.00 0.00 C ATOM 102 CG1 VAL A 108 -28.006 10.018 23.862 1.00 0.00 C ATOM 103 CG2 VAL A 108 -26.050 11.196 24.871 1.00 0.00 C ATOM 0 H VAL A 108 -27.491 11.493 27.789 1.00 0.00 H new ATOM 0 HA VAL A 108 -28.582 12.313 25.115 1.00 0.00 H new ATOM 0 HB VAL A 108 -27.230 9.677 25.843 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -27.332 9.301 23.393 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -28.961 9.536 24.072 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -28.165 10.860 23.188 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -25.376 10.479 24.402 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -26.210 12.038 24.198 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.608 11.554 25.801 1.00 0.00 H new ATOM 113 N CYS A 109 -29.536 9.980 27.263 1.00 0.00 N ATOM 114 CA CYS A 109 -30.754 9.254 27.735 1.00 0.00 C ATOM 115 C CYS A 109 -31.162 9.746 29.131 1.00 0.00 C ATOM 116 O CYS A 109 -31.975 9.129 29.790 1.00 0.00 O ATOM 117 CB CYS A 109 -30.474 7.749 27.780 1.00 0.00 C ATOM 118 SG CYS A 109 -29.011 7.426 28.797 1.00 0.00 S ATOM 0 H CYS A 109 -28.680 9.768 27.775 1.00 0.00 H new ATOM 0 HA CYS A 109 -31.571 9.451 27.040 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -31.336 7.222 28.189 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -30.317 7.369 26.771 1.00 0.00 H new ATOM 123 N THR A 110 -30.613 10.853 29.585 1.00 0.00 N ATOM 124 CA THR A 110 -30.976 11.400 30.939 1.00 0.00 C ATOM 125 C THR A 110 -30.893 10.298 32.010 1.00 0.00 C ATOM 126 O THR A 110 -31.803 10.117 32.799 1.00 0.00 O ATOM 127 CB THR A 110 -32.399 11.978 30.902 1.00 0.00 C ATOM 128 OG1 THR A 110 -33.342 10.923 30.795 1.00 0.00 O ATOM 129 CG2 THR A 110 -32.546 12.919 29.703 1.00 0.00 C ATOM 0 H THR A 110 -29.925 11.405 29.073 1.00 0.00 H new ATOM 0 HA THR A 110 -30.268 12.189 31.195 1.00 0.00 H new ATOM 0 HB THR A 110 -32.582 12.535 31.821 1.00 0.00 H new ATOM 0 HG1 THR A 110 -32.873 10.082 30.615 1.00 0.00 H new ATOM 0 HG21 THR A 110 -33.557 13.326 29.682 1.00 0.00 H new ATOM 0 HG22 THR A 110 -31.828 13.735 29.790 1.00 0.00 H new ATOM 0 HG23 THR A 110 -32.358 12.367 28.782 1.00 0.00 H new ATOM 137 N ARG A 111 -29.806 9.571 32.046 1.00 0.00 N ATOM 138 CA ARG A 111 -29.653 8.491 33.066 1.00 0.00 C ATOM 139 C ARG A 111 -28.981 9.072 34.305 1.00 0.00 C ATOM 140 O ARG A 111 -28.208 10.002 34.210 1.00 0.00 O ATOM 141 CB ARG A 111 -28.788 7.361 32.500 1.00 0.00 C ATOM 142 CG ARG A 111 -29.070 6.068 33.268 1.00 0.00 C ATOM 143 CD ARG A 111 -30.149 5.265 32.540 1.00 0.00 C ATOM 144 NE ARG A 111 -30.910 4.447 33.525 1.00 0.00 N ATOM 145 CZ ARG A 111 -32.208 4.346 33.425 1.00 0.00 C ATOM 146 NH1 ARG A 111 -32.956 5.410 33.534 1.00 0.00 N ATOM 147 NH2 ARG A 111 -32.759 3.181 33.219 1.00 0.00 N ATOM 0 H ARG A 111 -29.015 9.679 31.411 1.00 0.00 H new ATOM 0 HA ARG A 111 -30.634 8.093 33.327 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -29.002 7.221 31.440 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -27.733 7.621 32.581 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -28.158 5.477 33.353 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -29.396 6.299 34.282 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -30.824 5.938 32.012 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -29.693 4.619 31.790 1.00 0.00 H new ATOM 0 HE ARG A 111 -30.417 3.966 34.277 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -32.527 6.321 33.697 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -33.970 5.331 33.456 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -32.176 2.348 33.136 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -33.773 3.103 33.141 1.00 0.00 H new ATOM 161 N ALA A 112 -29.266 8.538 35.464 1.00 0.00 N ATOM 162 CA ALA A 112 -28.635 9.076 36.702 1.00 0.00 C ATOM 163 C ALA A 112 -27.579 8.095 37.214 1.00 0.00 C ATOM 164 O ALA A 112 -27.898 7.051 37.751 1.00 0.00 O ATOM 165 CB ALA A 112 -29.706 9.284 37.774 1.00 0.00 C ATOM 0 H ALA A 112 -29.906 7.756 35.605 1.00 0.00 H new ATOM 0 HA ALA A 112 -28.158 10.030 36.477 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -29.243 9.678 38.679 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -30.452 9.991 37.411 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -30.187 8.332 37.997 1.00 0.00 H new ATOM 171 N PHE A 113 -26.325 8.431 37.053 1.00 0.00 N ATOM 172 CA PHE A 113 -25.234 7.533 37.529 1.00 0.00 C ATOM 173 C PHE A 113 -24.573 8.155 38.760 1.00 0.00 C ATOM 174 O PHE A 113 -24.421 9.360 38.849 1.00 0.00 O ATOM 175 CB PHE A 113 -24.189 7.365 36.424 1.00 0.00 C ATOM 176 CG PHE A 113 -24.738 6.469 35.339 1.00 0.00 C ATOM 177 CD1 PHE A 113 -24.916 5.103 35.583 1.00 0.00 C ATOM 178 CD2 PHE A 113 -25.068 7.006 34.090 1.00 0.00 C ATOM 179 CE1 PHE A 113 -25.423 4.272 34.577 1.00 0.00 C ATOM 180 CE2 PHE A 113 -25.576 6.175 33.084 1.00 0.00 C ATOM 181 CZ PHE A 113 -25.753 4.809 33.327 1.00 0.00 C ATOM 0 H PHE A 113 -26.010 9.294 36.610 1.00 0.00 H new ATOM 0 HA PHE A 113 -25.650 6.558 37.785 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -23.926 8.337 36.008 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -23.275 6.936 36.836 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -24.662 4.689 36.548 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -24.931 8.061 33.902 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -25.559 3.217 34.765 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -25.831 6.589 32.120 1.00 0.00 H new ATOM 0 HZ PHE A 113 -26.144 4.169 32.550 1.00 0.00 H new ATOM 191 N ALA A 114 -24.179 7.345 39.709 1.00 0.00 N ATOM 192 CA ALA A 114 -23.526 7.886 40.937 1.00 0.00 C ATOM 193 C ALA A 114 -21.999 7.764 40.827 1.00 0.00 C ATOM 194 O ALA A 114 -21.295 7.886 41.811 1.00 0.00 O ATOM 195 CB ALA A 114 -24.011 7.096 42.156 1.00 0.00 C ATOM 0 H ALA A 114 -24.282 6.330 39.686 1.00 0.00 H new ATOM 0 HA ALA A 114 -23.790 8.938 41.045 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -23.537 7.488 43.056 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -25.093 7.192 42.245 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -23.749 6.045 42.036 1.00 0.00 H new ATOM 201 N ARG A 115 -21.480 7.527 39.643 1.00 0.00 N ATOM 202 CA ARG A 115 -20.000 7.401 39.480 1.00 0.00 C ATOM 203 C ARG A 115 -19.582 8.013 38.141 1.00 0.00 C ATOM 204 O ARG A 115 -20.133 7.691 37.105 1.00 0.00 O ATOM 205 CB ARG A 115 -19.599 5.923 39.500 1.00 0.00 C ATOM 206 CG ARG A 115 -19.939 5.306 40.860 1.00 0.00 C ATOM 207 CD ARG A 115 -19.011 5.881 41.934 1.00 0.00 C ATOM 208 NE ARG A 115 -18.672 4.816 42.921 1.00 0.00 N ATOM 209 CZ ARG A 115 -19.613 4.274 43.648 1.00 0.00 C ATOM 210 NH1 ARG A 115 -20.318 5.014 44.460 1.00 0.00 N ATOM 211 NH2 ARG A 115 -19.846 2.994 43.563 1.00 0.00 N ATOM 0 H ARG A 115 -22.020 7.416 38.785 1.00 0.00 H new ATOM 0 HA ARG A 115 -19.505 7.924 40.298 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -20.120 5.386 38.707 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -18.531 5.825 39.304 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -20.978 5.513 41.115 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -19.832 4.222 40.815 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -18.102 6.268 41.474 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -19.495 6.718 42.438 1.00 0.00 H new ATOM 0 HE ARG A 115 -17.705 4.510 43.029 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -20.134 6.015 44.527 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -21.053 4.591 45.027 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -19.294 2.416 42.929 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -20.580 2.571 44.130 1.00 0.00 H new ATOM 225 N GLN A 116 -18.611 8.890 38.155 1.00 0.00 N ATOM 226 CA GLN A 116 -18.148 9.525 36.885 1.00 0.00 C ATOM 227 C GLN A 116 -17.354 8.508 36.062 1.00 0.00 C ATOM 228 O GLN A 116 -17.316 8.579 34.847 1.00 0.00 O ATOM 229 CB GLN A 116 -17.256 10.725 37.208 1.00 0.00 C ATOM 230 CG GLN A 116 -17.030 11.552 35.940 1.00 0.00 C ATOM 231 CD GLN A 116 -16.887 13.029 36.311 1.00 0.00 C ATOM 232 OE1 GLN A 116 -16.265 13.362 37.301 1.00 0.00 O ATOM 233 NE2 GLN A 116 -17.439 13.936 35.552 1.00 0.00 N ATOM 0 H GLN A 116 -18.118 9.194 38.994 1.00 0.00 H new ATOM 0 HA GLN A 116 -19.014 9.859 36.313 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -17.722 11.341 37.978 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -16.301 10.384 37.607 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -16.134 11.208 35.424 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -17.865 11.418 35.252 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -17.961 13.657 34.721 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -17.348 14.924 35.790 1.00 0.00 H new ATOM 242 N GLU A 117 -16.722 7.563 36.712 1.00 0.00 N ATOM 243 CA GLU A 117 -15.931 6.538 35.971 1.00 0.00 C ATOM 244 C GLU A 117 -16.876 5.680 35.125 1.00 0.00 C ATOM 245 O GLU A 117 -16.595 5.376 33.982 1.00 0.00 O ATOM 246 CB GLU A 117 -15.188 5.647 36.970 1.00 0.00 C ATOM 247 CG GLU A 117 -14.277 4.677 36.213 1.00 0.00 C ATOM 248 CD GLU A 117 -13.556 3.769 37.210 1.00 0.00 C ATOM 249 OE1 GLU A 117 -12.639 4.245 37.858 1.00 0.00 O ATOM 250 OE2 GLU A 117 -13.933 2.612 37.309 1.00 0.00 O ATOM 0 H GLU A 117 -16.721 7.459 37.727 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.210 7.034 35.321 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.598 6.260 37.651 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.902 5.092 37.579 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.865 4.077 35.518 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.551 5.232 35.620 1.00 0.00 H new ATOM 257 N HIS A 118 -17.994 5.291 35.684 1.00 0.00 N ATOM 258 CA HIS A 118 -18.966 4.451 34.924 1.00 0.00 C ATOM 259 C HIS A 118 -19.586 5.280 33.796 1.00 0.00 C ATOM 260 O HIS A 118 -19.792 4.793 32.701 1.00 0.00 O ATOM 261 CB HIS A 118 -20.069 3.968 35.869 1.00 0.00 C ATOM 262 CG HIS A 118 -19.468 3.096 36.936 1.00 0.00 C ATOM 263 ND1 HIS A 118 -20.057 2.937 38.180 1.00 0.00 N ATOM 264 CD2 HIS A 118 -18.330 2.327 36.960 1.00 0.00 C ATOM 265 CE1 HIS A 118 -19.279 2.103 38.895 1.00 0.00 C ATOM 266 NE2 HIS A 118 -18.213 1.702 38.198 1.00 0.00 N ATOM 0 H HIS A 118 -18.275 5.520 36.637 1.00 0.00 H new ATOM 0 HA HIS A 118 -18.449 3.591 34.499 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -20.573 4.821 36.323 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -20.823 3.412 35.311 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.632 2.223 36.142 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -19.491 1.796 39.908 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -17.472 1.073 38.507 1.00 0.00 H new ATOM 274 N LEU A 119 -19.885 6.527 34.059 1.00 0.00 N ATOM 275 CA LEU A 119 -20.491 7.395 33.014 1.00 0.00 C ATOM 276 C LEU A 119 -19.501 7.582 31.861 1.00 0.00 C ATOM 277 O LEU A 119 -19.889 7.776 30.725 1.00 0.00 O ATOM 278 CB LEU A 119 -20.824 8.759 33.624 1.00 0.00 C ATOM 279 CG LEU A 119 -22.083 9.327 32.967 1.00 0.00 C ATOM 280 CD1 LEU A 119 -22.447 10.656 33.627 1.00 0.00 C ATOM 281 CD2 LEU A 119 -21.821 9.557 31.479 1.00 0.00 C ATOM 0 H LEU A 119 -19.733 6.980 34.960 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.400 6.928 32.636 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -20.977 8.659 34.699 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -19.988 9.444 33.483 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.905 8.622 33.089 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -23.344 11.061 33.159 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -22.632 10.496 34.689 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -21.624 11.360 33.504 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -22.718 9.962 31.010 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.999 10.262 31.359 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.559 8.611 31.005 1.00 0.00 H new ATOM 293 N LYS A 120 -18.223 7.529 32.146 1.00 0.00 N ATOM 294 CA LYS A 120 -17.200 7.707 31.071 1.00 0.00 C ATOM 295 C LYS A 120 -17.384 6.635 29.993 1.00 0.00 C ATOM 296 O LYS A 120 -17.521 6.940 28.823 1.00 0.00 O ATOM 297 CB LYS A 120 -15.799 7.585 31.677 1.00 0.00 C ATOM 298 CG LYS A 120 -15.376 8.935 32.260 1.00 0.00 C ATOM 299 CD LYS A 120 -13.864 9.109 32.099 1.00 0.00 C ATOM 300 CE LYS A 120 -13.142 8.379 33.233 1.00 0.00 C ATOM 301 NZ LYS A 120 -12.814 6.991 32.801 1.00 0.00 N ATOM 0 H LYS A 120 -17.844 7.370 33.080 1.00 0.00 H new ATOM 0 HA LYS A 120 -17.321 8.692 30.620 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -15.793 6.823 32.456 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -15.088 7.267 30.915 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -15.902 9.743 31.752 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.649 8.990 33.314 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -13.542 8.714 31.135 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -13.606 10.168 32.112 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -12.230 8.913 33.501 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -13.771 8.355 34.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -13.369 6.313 33.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -13.044 6.878 31.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -11.800 6.812 32.947 1.00 0.00 H new ATOM 315 N ARG A 121 -17.391 5.385 30.380 1.00 0.00 N ATOM 316 CA ARG A 121 -17.569 4.286 29.385 1.00 0.00 C ATOM 317 C ARG A 121 -18.983 4.349 28.803 1.00 0.00 C ATOM 318 O ARG A 121 -19.214 3.974 27.668 1.00 0.00 O ATOM 319 CB ARG A 121 -17.360 2.936 30.074 1.00 0.00 C ATOM 320 CG ARG A 121 -17.224 1.837 29.016 1.00 0.00 C ATOM 321 CD ARG A 121 -15.759 1.711 28.577 1.00 0.00 C ATOM 322 NE ARG A 121 -15.247 0.362 28.947 1.00 0.00 N ATOM 323 CZ ARG A 121 -14.296 0.244 29.832 1.00 0.00 C ATOM 324 NH1 ARG A 121 -13.129 0.786 29.612 1.00 0.00 N ATOM 325 NH2 ARG A 121 -14.511 -0.416 30.937 1.00 0.00 N ATOM 0 H ARG A 121 -17.281 5.078 31.346 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.841 4.401 28.582 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.466 2.968 30.697 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.200 2.719 30.733 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.575 0.887 29.419 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.852 2.069 28.156 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -15.676 1.861 27.501 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -15.157 2.484 29.054 1.00 0.00 H new ATOM 0 HE ARG A 121 -15.640 -0.470 28.508 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -12.961 1.302 28.748 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -12.385 0.694 30.304 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.423 -0.840 31.109 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -13.767 -0.508 31.629 1.00 0.00 H new ATOM 339 N HIS A 122 -19.929 4.819 29.574 1.00 0.00 N ATOM 340 CA HIS A 122 -21.336 4.910 29.081 1.00 0.00 C ATOM 341 C HIS A 122 -21.431 6.020 28.016 1.00 0.00 C ATOM 342 O HIS A 122 -22.343 6.035 27.212 1.00 0.00 O ATOM 343 CB HIS A 122 -22.262 5.222 30.274 1.00 0.00 C ATOM 344 CG HIS A 122 -23.667 5.514 29.802 1.00 0.00 C ATOM 345 ND1 HIS A 122 -24.570 4.507 29.500 1.00 0.00 N ATOM 346 CD2 HIS A 122 -24.333 6.694 29.579 1.00 0.00 C ATOM 347 CE1 HIS A 122 -25.718 5.094 29.116 1.00 0.00 C ATOM 348 NE2 HIS A 122 -25.628 6.426 29.146 1.00 0.00 N ATOM 0 H HIS A 122 -19.786 5.146 30.530 1.00 0.00 H new ATOM 0 HA HIS A 122 -21.642 3.967 28.629 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -22.273 4.377 30.962 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -21.874 6.078 30.827 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -24.396 3.504 29.558 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -23.915 7.680 29.718 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -26.605 4.554 28.819 1.00 0.00 H new ATOM 356 N TYR A 123 -20.503 6.949 28.009 1.00 0.00 N ATOM 357 CA TYR A 123 -20.549 8.052 27.004 1.00 0.00 C ATOM 358 C TYR A 123 -19.621 7.721 25.832 1.00 0.00 C ATOM 359 O TYR A 123 -19.090 8.603 25.184 1.00 0.00 O ATOM 360 CB TYR A 123 -20.095 9.357 27.662 1.00 0.00 C ATOM 361 CG TYR A 123 -20.772 10.526 26.988 1.00 0.00 C ATOM 362 CD1 TYR A 123 -22.144 10.737 27.167 1.00 0.00 C ATOM 363 CD2 TYR A 123 -20.028 11.398 26.185 1.00 0.00 C ATOM 364 CE1 TYR A 123 -22.772 11.822 26.542 1.00 0.00 C ATOM 365 CE2 TYR A 123 -20.656 12.482 25.560 1.00 0.00 C ATOM 366 CZ TYR A 123 -22.028 12.694 25.740 1.00 0.00 C ATOM 367 OH TYR A 123 -22.648 13.764 25.124 1.00 0.00 O ATOM 0 H TYR A 123 -19.717 6.988 28.658 1.00 0.00 H new ATOM 0 HA TYR A 123 -21.569 8.164 26.635 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -20.340 9.345 28.724 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -19.012 9.457 27.586 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -22.718 10.064 27.786 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -18.969 11.235 26.047 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -23.831 11.985 26.679 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -20.082 13.154 24.939 1.00 0.00 H new ATOM 0 HH TYR A 123 -21.988 14.270 24.605 1.00 0.00 H new ATOM 377 N ARG A 124 -19.426 6.455 25.554 1.00 0.00 N ATOM 378 CA ARG A 124 -18.537 6.058 24.424 1.00 0.00 C ATOM 379 C ARG A 124 -19.379 5.419 23.317 1.00 0.00 C ATOM 380 O ARG A 124 -19.075 5.540 22.145 1.00 0.00 O ATOM 381 CB ARG A 124 -17.496 5.051 24.923 1.00 0.00 C ATOM 382 CG ARG A 124 -16.165 5.288 24.205 1.00 0.00 C ATOM 383 CD ARG A 124 -15.257 4.069 24.390 1.00 0.00 C ATOM 384 NE ARG A 124 -13.846 4.520 24.550 1.00 0.00 N ATOM 385 CZ ARG A 124 -13.186 4.979 23.523 1.00 0.00 C ATOM 386 NH1 ARG A 124 -13.236 6.250 23.230 1.00 0.00 N ATOM 387 NH2 ARG A 124 -12.476 4.168 22.787 1.00 0.00 N ATOM 0 H ARG A 124 -19.847 5.679 26.064 1.00 0.00 H new ATOM 0 HA ARG A 124 -18.029 6.939 24.032 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -17.363 5.154 26.000 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -17.843 4.034 24.741 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -16.339 5.466 23.144 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -15.680 6.179 24.602 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -15.569 3.499 25.265 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -15.342 3.405 23.530 1.00 0.00 H new ATOM 0 HE ARG A 124 -13.396 4.470 25.464 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -13.791 6.884 23.804 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.720 6.609 22.427 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.437 3.175 23.015 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.960 4.528 21.984 1.00 0.00 H new ATOM 401 N SER A 125 -20.437 4.740 23.683 1.00 0.00 N ATOM 402 CA SER A 125 -21.310 4.090 22.663 1.00 0.00 C ATOM 403 C SER A 125 -22.400 5.069 22.213 1.00 0.00 C ATOM 404 O SER A 125 -22.926 4.958 21.122 1.00 0.00 O ATOM 405 CB SER A 125 -21.965 2.849 23.273 1.00 0.00 C ATOM 406 OG SER A 125 -22.890 3.250 24.273 1.00 0.00 O ATOM 0 H SER A 125 -20.734 4.608 24.650 1.00 0.00 H new ATOM 0 HA SER A 125 -20.706 3.803 21.803 1.00 0.00 H new ATOM 0 HB2 SER A 125 -22.475 2.275 22.499 1.00 0.00 H new ATOM 0 HB3 SER A 125 -21.205 2.198 23.705 1.00 0.00 H new ATOM 0 HG SER A 125 -23.313 2.457 24.665 1.00 0.00 H new ATOM 412 N HIS A 126 -22.743 6.022 23.044 1.00 0.00 N ATOM 413 CA HIS A 126 -23.800 7.009 22.669 1.00 0.00 C ATOM 414 C HIS A 126 -23.357 7.789 21.430 1.00 0.00 C ATOM 415 O HIS A 126 -23.923 7.651 20.363 1.00 0.00 O ATOM 416 CB HIS A 126 -24.016 7.985 23.826 1.00 0.00 C ATOM 417 CG HIS A 126 -25.048 7.432 24.769 1.00 0.00 C ATOM 418 ND1 HIS A 126 -26.312 7.052 24.343 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.021 7.194 26.121 1.00 0.00 C ATOM 420 CE1 HIS A 126 -26.987 6.610 25.421 1.00 0.00 C ATOM 421 NE2 HIS A 126 -26.246 6.676 26.531 1.00 0.00 N ATOM 0 H HIS A 126 -22.335 6.158 23.969 1.00 0.00 H new ATOM 0 HA HIS A 126 -24.729 6.480 22.455 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -23.077 8.150 24.355 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -24.341 8.952 23.443 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -26.666 7.099 23.387 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -24.177 7.381 26.768 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -28.004 6.246 25.392 1.00 0.00 H new ATOM 429 N THR A 127 -22.352 8.615 21.573 1.00 0.00 N ATOM 430 CA THR A 127 -21.864 9.422 20.414 1.00 0.00 C ATOM 431 C THR A 127 -21.395 8.493 19.289 1.00 0.00 C ATOM 432 O THR A 127 -21.709 8.704 18.133 1.00 0.00 O ATOM 433 CB THR A 127 -20.704 10.320 20.863 1.00 0.00 C ATOM 434 OG1 THR A 127 -20.186 11.013 19.737 1.00 0.00 O ATOM 435 CG2 THR A 127 -19.595 9.476 21.498 1.00 0.00 C ATOM 0 H THR A 127 -21.847 8.766 22.446 1.00 0.00 H new ATOM 0 HA THR A 127 -22.679 10.044 20.044 1.00 0.00 H new ATOM 0 HB THR A 127 -21.070 11.033 21.601 1.00 0.00 H new ATOM 0 HG1 THR A 127 -19.445 11.589 20.020 1.00 0.00 H new ATOM 0 HG21 THR A 127 -18.778 10.126 21.812 1.00 0.00 H new ATOM 0 HG22 THR A 127 -19.991 8.947 22.364 1.00 0.00 H new ATOM 0 HG23 THR A 127 -19.225 8.754 20.770 1.00 0.00 H new ATOM 443 N ASN A 128 -20.649 7.465 19.616 1.00 0.00 N ATOM 444 CA ASN A 128 -20.159 6.516 18.567 1.00 0.00 C ATOM 445 C ASN A 128 -19.353 7.276 17.506 1.00 0.00 C ATOM 446 O ASN A 128 -19.333 6.907 16.347 1.00 0.00 O ATOM 447 CB ASN A 128 -21.356 5.830 17.904 1.00 0.00 C ATOM 448 CG ASN A 128 -21.623 4.491 18.595 1.00 0.00 C ATOM 449 OD1 ASN A 128 -20.711 3.850 19.079 1.00 0.00 O ATOM 450 ND2 ASN A 128 -22.845 4.037 18.664 1.00 0.00 N ATOM 0 H ASN A 128 -20.358 7.242 20.568 1.00 0.00 H new ATOM 0 HA ASN A 128 -19.518 5.768 19.033 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -22.237 6.468 17.971 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -21.157 5.671 16.844 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -23.033 3.146 19.123 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -23.612 4.573 18.258 1.00 0.00 H new ATOM 457 N GLU A 129 -18.693 8.335 17.901 1.00 0.00 N ATOM 458 CA GLU A 129 -17.887 9.130 16.936 1.00 0.00 C ATOM 459 C GLU A 129 -16.691 8.276 16.445 1.00 0.00 C ATOM 460 O GLU A 129 -16.887 7.160 16.005 1.00 0.00 O ATOM 461 CB GLU A 129 -17.427 10.414 17.641 1.00 0.00 C ATOM 462 CG GLU A 129 -17.052 11.457 16.592 1.00 0.00 C ATOM 463 CD GLU A 129 -16.111 12.493 17.212 1.00 0.00 C ATOM 464 OE1 GLU A 129 -16.473 13.057 18.231 1.00 0.00 O ATOM 465 OE2 GLU A 129 -15.047 12.705 16.655 1.00 0.00 O ATOM 0 H GLU A 129 -18.680 8.683 18.860 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.474 9.406 16.060 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -18.222 10.795 18.282 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.572 10.204 18.284 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -16.569 10.975 15.742 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.950 11.946 16.214 1.00 0.00 H new ATOM 472 N LYS A 130 -15.466 8.773 16.500 1.00 0.00 N ATOM 473 CA LYS A 130 -14.300 7.964 16.027 1.00 0.00 C ATOM 474 C LYS A 130 -14.483 7.611 14.539 1.00 0.00 C ATOM 475 O LYS A 130 -15.016 6.566 14.226 1.00 0.00 O ATOM 476 CB LYS A 130 -14.193 6.677 16.853 1.00 0.00 C ATOM 477 CG LYS A 130 -13.368 6.952 18.112 1.00 0.00 C ATOM 478 CD LYS A 130 -14.261 7.580 19.187 1.00 0.00 C ATOM 479 CE LYS A 130 -15.338 6.580 19.615 1.00 0.00 C ATOM 480 NZ LYS A 130 -15.603 6.725 21.075 1.00 0.00 N ATOM 0 H LYS A 130 -15.233 9.701 16.852 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.387 8.546 16.149 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -15.187 6.322 17.126 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -13.725 5.890 16.262 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.933 6.024 18.483 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -12.540 7.621 17.877 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -13.659 7.871 20.048 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -14.726 8.487 18.802 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -16.254 6.753 19.050 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -15.013 5.563 19.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -16.624 6.640 21.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -15.098 5.980 21.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -15.272 7.657 21.397 1.00 0.00 H new ATOM 494 N PRO A 131 -14.039 8.490 13.653 1.00 0.00 N ATOM 495 CA PRO A 131 -14.161 8.265 12.200 1.00 0.00 C ATOM 496 C PRO A 131 -13.084 7.292 11.689 1.00 0.00 C ATOM 497 O PRO A 131 -13.032 6.992 10.511 1.00 0.00 O ATOM 498 CB PRO A 131 -13.956 9.657 11.598 1.00 0.00 C ATOM 499 CG PRO A 131 -13.174 10.479 12.650 1.00 0.00 C ATOM 500 CD PRO A 131 -13.386 9.778 14.003 1.00 0.00 C ATOM 0 HA PRO A 131 -15.117 7.817 11.929 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -13.401 9.597 10.662 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -14.913 10.127 11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -12.114 10.522 12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -13.536 11.507 12.685 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.440 9.616 14.519 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.013 10.374 14.666 1.00 0.00 H new ATOM 508 N TYR A 132 -12.229 6.798 12.556 1.00 0.00 N ATOM 509 CA TYR A 132 -11.168 5.851 12.104 1.00 0.00 C ATOM 510 C TYR A 132 -11.226 4.568 12.956 1.00 0.00 C ATOM 511 O TYR A 132 -10.377 4.355 13.799 1.00 0.00 O ATOM 512 CB TYR A 132 -9.794 6.513 12.255 1.00 0.00 C ATOM 513 CG TYR A 132 -9.776 7.816 11.492 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.728 7.807 10.094 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.806 9.033 12.183 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.711 9.013 9.384 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.788 10.241 11.474 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.741 10.231 10.076 1.00 0.00 C ATOM 519 OH TYR A 132 -9.723 11.421 9.377 1.00 0.00 O ATOM 0 H TYR A 132 -12.223 7.011 13.553 1.00 0.00 H new ATOM 0 HA TYR A 132 -11.330 5.594 11.057 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.579 6.693 13.308 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.015 5.849 11.880 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.704 6.868 9.562 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.843 9.041 13.262 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.675 9.005 8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.810 11.180 12.007 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.750 12.171 10.007 1.00 0.00 H new ATOM 529 N PRO A 133 -12.229 3.737 12.717 1.00 0.00 N ATOM 530 CA PRO A 133 -12.390 2.477 13.465 1.00 0.00 C ATOM 531 C PRO A 133 -11.434 1.410 12.923 1.00 0.00 C ATOM 532 O PRO A 133 -11.010 1.467 11.784 1.00 0.00 O ATOM 533 CB PRO A 133 -13.847 2.083 13.203 1.00 0.00 C ATOM 534 CG PRO A 133 -14.265 2.796 11.896 1.00 0.00 C ATOM 535 CD PRO A 133 -13.286 3.967 11.700 1.00 0.00 C ATOM 0 HA PRO A 133 -12.166 2.579 14.527 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -13.945 1.002 13.104 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.486 2.386 14.032 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.222 2.110 11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.291 3.156 11.963 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.872 3.975 10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.780 4.927 11.850 1.00 0.00 H new ATOM 543 N CYS A 134 -11.096 0.438 13.733 1.00 0.00 N ATOM 544 CA CYS A 134 -10.172 -0.640 13.274 1.00 0.00 C ATOM 545 C CYS A 134 -10.947 -1.644 12.419 1.00 0.00 C ATOM 546 O CYS A 134 -12.135 -1.837 12.601 1.00 0.00 O ATOM 547 CB CYS A 134 -9.578 -1.356 14.489 1.00 0.00 C ATOM 548 SG CYS A 134 -8.126 -2.310 13.980 1.00 0.00 S ATOM 0 H CYS A 134 -11.422 0.346 14.695 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.368 -0.202 12.683 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.299 -0.629 15.252 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.322 -2.016 14.935 1.00 0.00 H new ATOM 553 N GLY A 135 -10.284 -2.283 11.488 1.00 0.00 N ATOM 554 CA GLY A 135 -10.980 -3.276 10.615 1.00 0.00 C ATOM 555 C GLY A 135 -10.465 -4.687 10.918 1.00 0.00 C ATOM 556 O GLY A 135 -10.513 -5.562 10.075 1.00 0.00 O ATOM 0 H GLY A 135 -9.290 -2.160 11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.056 -3.229 10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.809 -3.034 9.566 1.00 0.00 H new ATOM 560 N LEU A 136 -9.978 -4.913 12.113 1.00 0.00 N ATOM 561 CA LEU A 136 -9.462 -6.268 12.472 1.00 0.00 C ATOM 562 C LEU A 136 -10.114 -6.722 13.779 1.00 0.00 C ATOM 563 O LEU A 136 -10.807 -7.721 13.826 1.00 0.00 O ATOM 564 CB LEU A 136 -7.939 -6.214 12.654 1.00 0.00 C ATOM 565 CG LEU A 136 -7.289 -5.473 11.477 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.780 -5.371 11.709 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.557 -6.234 10.171 1.00 0.00 C ATOM 0 H LEU A 136 -9.916 -4.216 12.855 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.702 -6.971 11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.695 -5.710 13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.538 -7.225 12.723 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.715 -4.472 11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.318 -4.845 10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.590 -4.823 12.632 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.355 -6.372 11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.093 -5.704 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.136 -7.237 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.632 -6.302 10.004 1.00 0.00 H new ATOM 579 N CYS A 137 -9.900 -5.986 14.839 1.00 0.00 N ATOM 580 CA CYS A 137 -10.506 -6.355 16.155 1.00 0.00 C ATOM 581 C CYS A 137 -11.730 -5.472 16.450 1.00 0.00 C ATOM 582 O CYS A 137 -12.432 -5.684 17.419 1.00 0.00 O ATOM 583 CB CYS A 137 -9.463 -6.171 17.260 1.00 0.00 C ATOM 584 SG CYS A 137 -8.882 -4.454 17.297 1.00 0.00 S ATOM 0 H CYS A 137 -9.329 -5.141 14.850 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.828 -7.396 16.118 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.895 -6.437 18.225 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.622 -6.843 17.091 1.00 0.00 H new ATOM 589 N ASN A 138 -11.981 -4.479 15.627 1.00 0.00 N ATOM 590 CA ASN A 138 -13.148 -3.561 15.846 1.00 0.00 C ATOM 591 C ASN A 138 -12.854 -2.637 17.027 1.00 0.00 C ATOM 592 O ASN A 138 -13.212 -2.920 18.155 1.00 0.00 O ATOM 593 CB ASN A 138 -14.430 -4.362 16.121 1.00 0.00 C ATOM 594 CG ASN A 138 -15.648 -3.465 15.895 1.00 0.00 C ATOM 595 OD1 ASN A 138 -15.995 -3.164 14.771 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.315 -3.022 16.925 1.00 0.00 N ATOM 0 H ASN A 138 -11.420 -4.263 14.803 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.300 -2.969 14.943 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.477 -5.230 15.464 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.425 -4.737 17.145 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.128 -2.422 16.786 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.023 -3.275 17.869 1.00 0.00 H new ATOM 603 N ARG A 139 -12.205 -1.532 16.769 1.00 0.00 N ATOM 604 CA ARG A 139 -11.877 -0.569 17.860 1.00 0.00 C ATOM 605 C ARG A 139 -12.322 0.834 17.441 1.00 0.00 C ATOM 606 O ARG A 139 -12.967 1.007 16.423 1.00 0.00 O ATOM 607 CB ARG A 139 -10.366 -0.577 18.106 1.00 0.00 C ATOM 608 CG ARG A 139 -10.019 -1.675 19.113 1.00 0.00 C ATOM 609 CD ARG A 139 -10.061 -1.100 20.530 1.00 0.00 C ATOM 610 NE ARG A 139 -10.375 -2.188 21.498 1.00 0.00 N ATOM 611 CZ ARG A 139 -9.407 -2.857 22.064 1.00 0.00 C ATOM 612 NH1 ARG A 139 -8.769 -3.776 21.391 1.00 0.00 N ATOM 613 NH2 ARG A 139 -9.077 -2.606 23.301 1.00 0.00 N ATOM 0 H ARG A 139 -11.886 -1.254 15.841 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.393 -0.857 18.776 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.835 -0.747 17.169 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.043 0.393 18.484 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.724 -2.501 19.023 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.028 -2.077 18.902 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.102 -0.644 20.777 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.814 -0.314 20.593 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.346 -2.410 21.719 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.027 -3.971 20.424 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.013 -4.299 21.833 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.575 -1.887 23.826 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.321 -3.129 23.743 1.00 0.00 H new ATOM 627 N ALA A 140 -11.988 1.835 18.217 1.00 0.00 N ATOM 628 CA ALA A 140 -12.395 3.228 17.864 1.00 0.00 C ATOM 629 C ALA A 140 -11.252 4.199 18.175 1.00 0.00 C ATOM 630 O ALA A 140 -10.632 4.126 19.219 1.00 0.00 O ATOM 631 CB ALA A 140 -13.630 3.618 18.680 1.00 0.00 C ATOM 0 H ALA A 140 -11.451 1.747 19.080 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.627 3.276 16.800 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.929 4.634 18.424 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.446 2.932 18.455 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.395 3.566 19.743 1.00 0.00 H new ATOM 637 N PHE A 141 -10.978 5.110 17.275 1.00 0.00 N ATOM 638 CA PHE A 141 -9.882 6.096 17.508 1.00 0.00 C ATOM 639 C PHE A 141 -10.277 7.445 16.902 1.00 0.00 C ATOM 640 O PHE A 141 -11.108 7.515 16.016 1.00 0.00 O ATOM 641 CB PHE A 141 -8.595 5.598 16.849 1.00 0.00 C ATOM 642 CG PHE A 141 -8.276 4.210 17.351 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.531 4.044 18.526 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.727 3.089 16.644 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.237 2.757 18.992 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.432 1.802 17.109 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.687 1.636 18.283 1.00 0.00 C ATOM 0 H PHE A 141 -11.469 5.212 16.387 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.718 6.210 18.579 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.710 5.587 15.765 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.772 6.276 17.075 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.184 4.909 19.072 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.303 3.217 15.739 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.663 2.629 19.898 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.779 0.937 16.563 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.459 0.643 18.642 1.00 0.00 H new ATOM 657 N THR A 142 -9.690 8.516 17.377 1.00 0.00 N ATOM 658 CA THR A 142 -10.032 9.866 16.835 1.00 0.00 C ATOM 659 C THR A 142 -8.961 10.306 15.835 1.00 0.00 C ATOM 660 O THR A 142 -9.254 10.954 14.847 1.00 0.00 O ATOM 661 CB THR A 142 -10.098 10.875 17.985 1.00 0.00 C ATOM 662 OG1 THR A 142 -8.828 10.957 18.615 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.149 10.426 19.002 1.00 0.00 C ATOM 0 H THR A 142 -8.988 8.513 18.117 1.00 0.00 H new ATOM 0 HA THR A 142 -10.998 9.819 16.333 1.00 0.00 H new ATOM 0 HB THR A 142 -10.372 11.855 17.594 1.00 0.00 H new ATOM 0 HG1 THR A 142 -8.869 11.604 19.350 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.195 11.145 19.820 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.123 10.366 18.516 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.879 9.446 19.395 1.00 0.00 H new ATOM 671 N ARG A 143 -7.722 9.965 16.087 1.00 0.00 N ATOM 672 CA ARG A 143 -6.626 10.365 15.156 1.00 0.00 C ATOM 673 C ARG A 143 -6.325 9.215 14.193 1.00 0.00 C ATOM 674 O ARG A 143 -6.319 8.060 14.576 1.00 0.00 O ATOM 675 CB ARG A 143 -5.367 10.696 15.963 1.00 0.00 C ATOM 676 CG ARG A 143 -5.653 11.874 16.897 1.00 0.00 C ATOM 677 CD ARG A 143 -4.363 12.659 17.140 1.00 0.00 C ATOM 678 NE ARG A 143 -3.673 12.121 18.346 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.166 12.939 19.228 1.00 0.00 C ATOM 680 NH1 ARG A 143 -2.161 13.707 18.905 1.00 0.00 N ATOM 681 NH2 ARG A 143 -3.665 12.989 20.432 1.00 0.00 N ATOM 0 H ARG A 143 -7.423 9.426 16.899 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.936 11.242 14.587 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.055 9.827 16.542 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.546 10.943 15.290 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.409 12.524 16.458 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.054 11.512 17.844 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -3.710 12.584 16.271 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.589 13.716 17.279 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.597 11.113 18.483 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -1.772 13.668 17.963 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -1.765 14.346 19.595 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.451 12.389 20.684 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.270 13.628 21.122 1.00 0.00 H new ATOM 695 N ARG A 144 -6.074 9.525 12.946 1.00 0.00 N ATOM 696 CA ARG A 144 -5.771 8.455 11.949 1.00 0.00 C ATOM 697 C ARG A 144 -4.436 7.797 12.304 1.00 0.00 C ATOM 698 O ARG A 144 -4.277 6.597 12.186 1.00 0.00 O ATOM 699 CB ARG A 144 -5.681 9.068 10.550 1.00 0.00 C ATOM 700 CG ARG A 144 -5.591 7.949 9.509 1.00 0.00 C ATOM 701 CD ARG A 144 -4.988 8.498 8.214 1.00 0.00 C ATOM 702 NE ARG A 144 -4.122 7.458 7.591 1.00 0.00 N ATOM 703 CZ ARG A 144 -4.070 7.343 6.292 1.00 0.00 C ATOM 704 NH1 ARG A 144 -5.027 6.730 5.651 1.00 0.00 N ATOM 705 NH2 ARG A 144 -3.058 7.840 5.634 1.00 0.00 N ATOM 0 H ARG A 144 -6.066 10.475 12.575 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.564 7.707 11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.555 9.690 10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.807 9.716 10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.977 7.133 9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.582 7.539 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.781 8.787 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.405 9.395 8.423 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.569 6.835 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -5.817 6.340 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -4.985 6.641 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -2.309 8.318 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -3.016 7.751 4.619 1.00 0.00 H new ATOM 719 N ASP A 145 -3.478 8.576 12.739 1.00 0.00 N ATOM 720 CA ASP A 145 -2.147 8.005 13.107 1.00 0.00 C ATOM 721 C ASP A 145 -2.316 7.018 14.265 1.00 0.00 C ATOM 722 O ASP A 145 -1.565 6.068 14.394 1.00 0.00 O ATOM 723 CB ASP A 145 -1.208 9.135 13.532 1.00 0.00 C ATOM 724 CG ASP A 145 -1.870 9.960 14.637 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.690 9.616 15.794 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.545 10.922 14.309 1.00 0.00 O ATOM 0 H ASP A 145 -3.561 9.586 12.855 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.725 7.485 12.247 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.263 8.723 13.887 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.977 9.771 12.677 1.00 0.00 H new ATOM 731 N LEU A 146 -3.296 7.236 15.102 1.00 0.00 N ATOM 732 CA LEU A 146 -3.526 6.317 16.255 1.00 0.00 C ATOM 733 C LEU A 146 -3.926 4.934 15.739 1.00 0.00 C ATOM 734 O LEU A 146 -3.364 3.931 16.131 1.00 0.00 O ATOM 735 CB LEU A 146 -4.650 6.871 17.131 1.00 0.00 C ATOM 736 CG LEU A 146 -4.058 7.773 18.214 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.190 8.450 18.989 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.218 6.928 19.175 1.00 0.00 C ATOM 0 H LEU A 146 -3.950 8.016 15.036 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.609 6.237 16.839 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.357 7.434 16.521 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.205 6.052 17.589 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.429 8.533 17.751 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.768 9.093 19.761 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.791 9.050 18.305 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.818 7.690 19.453 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.795 7.569 19.948 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.848 6.169 19.638 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.412 6.444 18.624 1.00 0.00 H new ATOM 750 N LEU A 147 -4.902 4.878 14.868 1.00 0.00 N ATOM 751 CA LEU A 147 -5.361 3.563 14.321 1.00 0.00 C ATOM 752 C LEU A 147 -4.189 2.825 13.662 1.00 0.00 C ATOM 753 O LEU A 147 -4.108 1.612 13.713 1.00 0.00 O ATOM 754 CB LEU A 147 -6.459 3.802 13.282 1.00 0.00 C ATOM 755 CG LEU A 147 -7.120 2.468 12.926 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.577 2.708 12.519 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.364 1.817 11.763 1.00 0.00 C ATOM 0 H LEU A 147 -5.404 5.691 14.510 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.749 2.954 15.138 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.202 4.496 13.675 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -6.036 4.261 12.388 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.092 1.808 13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.045 1.757 12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.115 3.169 13.348 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.609 3.370 11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.835 0.867 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.390 2.478 10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.328 1.642 12.055 1.00 0.00 H new ATOM 769 N ILE A 148 -3.287 3.545 13.044 1.00 0.00 N ATOM 770 CA ILE A 148 -2.124 2.882 12.382 1.00 0.00 C ATOM 771 C ILE A 148 -1.257 2.200 13.445 1.00 0.00 C ATOM 772 O ILE A 148 -0.979 1.019 13.363 1.00 0.00 O ATOM 773 CB ILE A 148 -1.296 3.927 11.627 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.191 4.646 10.613 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.146 3.237 10.888 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.408 5.779 9.944 1.00 0.00 C ATOM 0 H ILE A 148 -3.306 4.562 12.970 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.484 2.135 11.675 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.890 4.648 12.336 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.543 3.941 9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.073 5.046 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.441 3.983 10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.491 2.722 11.607 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.551 2.515 10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.048 6.288 9.223 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.078 6.490 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.540 5.367 9.430 1.00 0.00 H new ATOM 788 N ARG A 149 -0.831 2.936 14.441 1.00 0.00 N ATOM 789 CA ARG A 149 0.021 2.340 15.520 1.00 0.00 C ATOM 790 C ARG A 149 -0.716 1.167 16.182 1.00 0.00 C ATOM 791 O ARG A 149 -0.103 0.261 16.716 1.00 0.00 O ATOM 792 CB ARG A 149 0.324 3.413 16.570 1.00 0.00 C ATOM 793 CG ARG A 149 1.288 2.854 17.623 1.00 0.00 C ATOM 794 CD ARG A 149 0.501 2.414 18.863 1.00 0.00 C ATOM 795 NE ARG A 149 1.259 2.790 20.089 1.00 0.00 N ATOM 796 CZ ARG A 149 2.223 2.025 20.522 1.00 0.00 C ATOM 797 NH1 ARG A 149 3.435 2.181 20.064 1.00 0.00 N ATOM 798 NH2 ARG A 149 1.974 1.102 21.410 1.00 0.00 N ATOM 0 H ARG A 149 -1.037 3.928 14.555 1.00 0.00 H new ATOM 0 HA ARG A 149 0.952 1.974 15.086 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.762 4.289 16.092 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.600 3.739 17.047 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.840 2.009 17.212 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.022 3.612 17.896 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.481 2.886 18.870 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.337 1.337 18.840 1.00 0.00 H new ATOM 0 HE ARG A 149 1.024 3.647 20.591 1.00 0.00 H new ATOM 0 HH11 ARG A 149 3.628 2.901 19.368 1.00 0.00 H new ATOM 0 HH12 ARG A 149 4.189 1.583 20.402 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.026 0.979 21.765 1.00 0.00 H new ATOM 0 HH22 ARG A 149 2.727 0.504 21.749 1.00 0.00 H new ATOM 812 N HIS A 150 -2.024 1.181 16.147 1.00 0.00 N ATOM 813 CA HIS A 150 -2.813 0.078 16.766 1.00 0.00 C ATOM 814 C HIS A 150 -2.573 -1.215 15.972 1.00 0.00 C ATOM 815 O HIS A 150 -2.267 -2.249 16.534 1.00 0.00 O ATOM 816 CB HIS A 150 -4.304 0.470 16.738 1.00 0.00 C ATOM 817 CG HIS A 150 -5.180 -0.691 17.138 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.877 -1.520 18.205 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.350 -1.173 16.608 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.846 -2.452 18.282 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.769 -2.286 17.330 1.00 0.00 N ATOM 0 H HIS A 150 -2.582 1.916 15.712 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.507 -0.088 17.799 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.475 1.308 17.414 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.576 0.806 15.737 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.068 -1.439 18.820 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.868 -0.752 15.759 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.874 -3.238 19.023 1.00 0.00 H new ATOM 829 N ALA A 151 -2.718 -1.161 14.673 1.00 0.00 N ATOM 830 CA ALA A 151 -2.510 -2.382 13.840 1.00 0.00 C ATOM 831 C ALA A 151 -1.012 -2.685 13.683 1.00 0.00 C ATOM 832 O ALA A 151 -0.640 -3.754 13.239 1.00 0.00 O ATOM 833 CB ALA A 151 -3.132 -2.167 12.458 1.00 0.00 C ATOM 0 H ALA A 151 -2.972 -0.321 14.153 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.987 -3.227 14.336 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.981 -3.058 11.848 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.200 -1.977 12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.659 -1.312 11.975 1.00 0.00 H new ATOM 839 N GLN A 152 -0.149 -1.758 14.032 1.00 0.00 N ATOM 840 CA GLN A 152 1.318 -2.005 13.889 1.00 0.00 C ATOM 841 C GLN A 152 1.883 -2.625 15.173 1.00 0.00 C ATOM 842 O GLN A 152 2.939 -3.233 15.158 1.00 0.00 O ATOM 843 CB GLN A 152 2.032 -0.678 13.618 1.00 0.00 C ATOM 844 CG GLN A 152 1.442 -0.011 12.366 1.00 0.00 C ATOM 845 CD GLN A 152 2.502 0.055 11.263 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.574 0.591 11.465 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.246 -0.471 10.096 1.00 0.00 N ATOM 0 H GLN A 152 -0.399 -0.844 14.409 1.00 0.00 H new ATOM 0 HA GLN A 152 1.479 -2.694 13.060 1.00 0.00 H new ATOM 0 HB2 GLN A 152 1.926 -0.016 14.477 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.099 -0.851 13.479 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.576 -0.574 12.017 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.093 0.993 12.608 1.00 0.00 H new ATOM 0 HE21 GLN A 152 1.347 -0.921 9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 152 2.945 -0.432 9.355 1.00 0.00 H new ATOM 856 N LYS A 153 1.205 -2.467 16.286 1.00 0.00 N ATOM 857 CA LYS A 153 1.722 -3.035 17.568 1.00 0.00 C ATOM 858 C LYS A 153 1.040 -4.371 17.874 1.00 0.00 C ATOM 859 O LYS A 153 1.690 -5.332 18.245 1.00 0.00 O ATOM 860 CB LYS A 153 1.437 -2.052 18.706 1.00 0.00 C ATOM 861 CG LYS A 153 2.632 -1.112 18.881 1.00 0.00 C ATOM 862 CD LYS A 153 3.847 -1.912 19.354 1.00 0.00 C ATOM 863 CE LYS A 153 4.843 -0.974 20.038 1.00 0.00 C ATOM 864 NZ LYS A 153 6.139 -1.684 20.234 1.00 0.00 N ATOM 0 H LYS A 153 0.318 -1.970 16.360 1.00 0.00 H new ATOM 0 HA LYS A 153 2.795 -3.199 17.474 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.537 -1.477 18.487 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.250 -2.596 19.632 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.857 -0.613 17.938 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.392 -0.333 19.605 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.534 -2.694 20.046 1.00 0.00 H new ATOM 0 HD3 LYS A 153 4.321 -2.408 18.507 1.00 0.00 H new ATOM 0 HE2 LYS A 153 4.993 -0.081 19.432 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.448 -0.644 20.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.817 -1.047 20.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.988 -2.523 20.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 6.517 -1.978 19.311 1.00 0.00 H new ATOM 878 N ILE A 154 -0.259 -4.436 17.738 1.00 0.00 N ATOM 879 CA ILE A 154 -0.983 -5.707 18.039 1.00 0.00 C ATOM 880 C ILE A 154 -1.196 -6.510 16.752 1.00 0.00 C ATOM 881 O ILE A 154 -0.945 -7.700 16.709 1.00 0.00 O ATOM 882 CB ILE A 154 -2.338 -5.377 18.673 1.00 0.00 C ATOM 883 CG1 ILE A 154 -2.119 -4.493 19.903 1.00 0.00 C ATOM 884 CG2 ILE A 154 -3.038 -6.671 19.097 1.00 0.00 C ATOM 885 CD1 ILE A 154 -2.074 -3.023 19.478 1.00 0.00 C ATOM 0 H ILE A 154 -0.850 -3.663 17.431 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.389 -6.305 18.731 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.959 -4.851 17.947 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.922 -4.649 20.623 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -1.188 -4.767 20.399 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.001 -6.433 19.548 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -3.193 -7.304 18.223 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.419 -7.199 19.822 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.918 -2.395 20.355 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.256 -2.873 18.774 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.016 -2.753 19.002 1.00 0.00 H new ATOM 897 N HIS A 155 -1.663 -5.872 15.709 1.00 0.00 N ATOM 898 CA HIS A 155 -1.901 -6.600 14.426 1.00 0.00 C ATOM 899 C HIS A 155 -0.603 -6.702 13.612 1.00 0.00 C ATOM 900 O HIS A 155 -0.541 -7.431 12.642 1.00 0.00 O ATOM 901 CB HIS A 155 -2.959 -5.854 13.610 1.00 0.00 C ATOM 902 CG HIS A 155 -4.202 -5.680 14.441 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.717 -6.702 15.224 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.043 -4.610 14.624 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.819 -6.230 15.836 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.063 -4.959 15.504 1.00 0.00 N ATOM 0 H HIS A 155 -1.890 -4.878 15.691 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.249 -7.608 14.653 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.576 -4.881 13.301 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.191 -6.409 12.701 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.331 -7.641 15.319 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.930 -3.643 14.156 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.431 -6.808 16.513 1.00 0.00 H new ATOM 914 N SER A 156 0.431 -5.983 13.993 1.00 0.00 N ATOM 915 CA SER A 156 1.723 -6.041 13.238 1.00 0.00 C ATOM 916 C SER A 156 1.512 -5.536 11.806 1.00 0.00 C ATOM 917 O SER A 156 0.808 -6.142 11.021 1.00 0.00 O ATOM 918 CB SER A 156 2.258 -7.483 13.227 1.00 0.00 C ATOM 919 OG SER A 156 1.740 -8.195 12.106 1.00 0.00 O ATOM 0 H SER A 156 0.433 -5.357 14.798 1.00 0.00 H new ATOM 0 HA SER A 156 2.456 -5.401 13.729 1.00 0.00 H new ATOM 0 HB2 SER A 156 3.347 -7.474 13.189 1.00 0.00 H new ATOM 0 HB3 SER A 156 1.976 -7.990 14.150 1.00 0.00 H new ATOM 0 HG SER A 156 0.894 -7.790 11.824 1.00 0.00 H new ATOM 925 N GLY A 157 2.119 -4.428 11.465 1.00 0.00 N ATOM 926 CA GLY A 157 1.962 -3.873 10.088 1.00 0.00 C ATOM 927 C GLY A 157 2.786 -4.702 9.102 1.00 0.00 C ATOM 928 O GLY A 157 3.759 -5.333 9.470 1.00 0.00 O ATOM 0 H GLY A 157 2.719 -3.882 12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 157 0.911 -3.884 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 157 2.288 -2.833 10.065 1.00 0.00 H new ATOM 932 N ASN A 158 2.403 -4.702 7.850 1.00 0.00 N ATOM 933 CA ASN A 158 3.157 -5.486 6.829 1.00 0.00 C ATOM 934 C ASN A 158 2.812 -4.966 5.432 1.00 0.00 C ATOM 935 O ASN A 158 1.967 -4.104 5.274 1.00 0.00 O ATOM 936 CB ASN A 158 2.772 -6.964 6.932 1.00 0.00 C ATOM 937 CG ASN A 158 1.250 -7.104 6.849 1.00 0.00 C ATOM 938 OD1 ASN A 158 0.588 -7.260 7.855 1.00 0.00 O ATOM 939 ND2 ASN A 158 0.665 -7.055 5.683 1.00 0.00 N ATOM 0 H ASN A 158 1.597 -4.190 7.491 1.00 0.00 H new ATOM 0 HA ASN A 158 4.227 -5.377 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 158 3.244 -7.530 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 158 3.135 -7.380 7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -0.349 -7.148 5.617 1.00 0.00 H new ATOM 0 HD22 ASN A 158 1.222 -6.924 4.838 1.00 0.00 H new ATOM 946 N LEU A 159 3.461 -5.482 4.419 1.00 0.00 N ATOM 947 CA LEU A 159 3.176 -5.023 3.029 1.00 0.00 C ATOM 948 C LEU A 159 2.635 -6.193 2.205 1.00 0.00 C ATOM 949 O LEU A 159 1.589 -6.098 1.590 1.00 0.00 O ATOM 950 CB LEU A 159 4.466 -4.501 2.389 1.00 0.00 C ATOM 951 CG LEU A 159 4.713 -3.061 2.842 1.00 0.00 C ATOM 952 CD1 LEU A 159 5.529 -3.066 4.135 1.00 0.00 C ATOM 953 CD2 LEU A 159 5.486 -2.312 1.755 1.00 0.00 C ATOM 0 H LEU A 159 4.178 -6.203 4.497 1.00 0.00 H new ATOM 0 HA LEU A 159 2.434 -4.225 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 159 5.307 -5.133 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 159 4.389 -4.544 1.303 1.00 0.00 H new ATOM 0 HG LEU A 159 3.758 -2.566 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 159 5.705 -2.040 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 159 4.980 -3.601 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.485 -3.560 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 159 5.663 -1.286 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 159 6.441 -2.807 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 159 4.905 -2.309 0.832 1.00 0.00 H new ATOM 965 N GLY A 160 3.341 -7.295 2.189 1.00 0.00 N ATOM 966 CA GLY A 160 2.875 -8.479 1.408 1.00 0.00 C ATOM 967 C GLY A 160 3.812 -8.708 0.221 1.00 0.00 C ATOM 968 O GLY A 160 4.961 -9.076 0.388 1.00 0.00 O ATOM 0 H GLY A 160 4.223 -7.425 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 160 2.855 -9.363 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 160 1.856 -8.317 1.055 1.00 0.00 H new ATOM 972 N GLU A 161 3.329 -8.493 -0.977 1.00 0.00 N ATOM 973 CA GLU A 161 4.184 -8.697 -2.182 1.00 0.00 C ATOM 974 C GLU A 161 5.351 -7.707 -2.152 1.00 0.00 C ATOM 975 O GLU A 161 6.470 -8.134 -2.381 1.00 0.00 O ATOM 976 CB GLU A 161 3.351 -8.466 -3.445 1.00 0.00 C ATOM 977 CG GLU A 161 2.360 -9.617 -3.622 1.00 0.00 C ATOM 978 CD GLU A 161 3.082 -10.826 -4.219 1.00 0.00 C ATOM 979 OE1 GLU A 161 3.385 -10.787 -5.400 1.00 0.00 O ATOM 980 OE2 GLU A 161 3.321 -11.772 -3.484 1.00 0.00 O ATOM 981 OXT GLU A 161 5.104 -6.539 -1.901 1.00 0.00 O ATOM 0 H GLU A 161 2.376 -8.184 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 161 4.571 -9.716 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.816 -7.519 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.003 -8.397 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.919 -9.882 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.543 -9.310 -4.274 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.421 -3.561 15.835 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -26.791 7.761 28.167 1.00 0.00 ZN