USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 458 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 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 118 HIS : no HE2:sc= -4.57 K(o=-4.6,f=-11!) USER MOD Single : A 142 GLN : amide:sc= 0.06 X(o=0.06,f=-0.083) USER MOD Single : A 148 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 153 CYS SG : rot -103:sc= 0.232 USER MOD Single : A 155 SER OG : rot 110:sc= 0.0678 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 71.912 0.084 6.180 1.00 0.00 N ATOM 2 CA PRO A 108 71.835 1.512 5.770 1.00 0.00 C ATOM 3 C PRO A 108 73.149 1.999 5.163 1.00 0.00 C ATOM 4 O PRO A 108 74.178 1.331 5.268 1.00 0.00 O ATOM 5 CB PRO A 108 71.491 2.329 7.013 1.00 0.00 C ATOM 6 CG PRO A 108 71.226 1.307 8.068 1.00 0.00 C ATOM 7 CD PRO A 108 71.974 0.063 7.652 1.00 0.00 C ATOM 0 HA PRO A 108 71.072 1.630 5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 108 72.312 2.988 7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 108 70.619 2.961 6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 108 71.566 1.657 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 108 70.158 1.107 8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 108 73.004 0.079 8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 108 71.510 -0.836 8.058 1.00 0.00 H new ATOM 17 N ARG A 109 73.107 3.167 4.530 1.00 0.00 N ATOM 18 CA ARG A 109 74.292 3.743 3.907 1.00 0.00 C ATOM 19 C ARG A 109 75.107 4.537 4.922 1.00 0.00 C ATOM 20 O ARG A 109 74.698 5.616 5.354 1.00 0.00 O ATOM 21 CB ARG A 109 73.893 4.646 2.737 1.00 0.00 C ATOM 22 CG ARG A 109 73.803 3.914 1.407 1.00 0.00 C ATOM 23 CD ARG A 109 73.385 4.852 0.285 1.00 0.00 C ATOM 24 NE ARG A 109 73.147 4.135 -0.965 1.00 0.00 N ATOM 25 CZ ARG A 109 72.567 4.679 -2.033 1.00 0.00 C ATOM 26 NH1 ARG A 109 72.162 5.942 -2.004 1.00 0.00 N ATOM 27 NH2 ARG A 109 72.389 3.957 -3.131 1.00 0.00 N ATOM 0 H ARG A 109 72.264 3.733 4.435 1.00 0.00 H new ATOM 0 HA ARG A 109 74.908 2.926 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 109 72.929 5.105 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 109 74.619 5.455 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 109 74.769 3.468 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 109 73.085 3.097 1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 109 72.480 5.385 0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 109 74.161 5.602 0.131 1.00 0.00 H new ATOM 0 HE ARG A 109 73.442 3.160 -1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 109 72.294 6.501 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 109 71.718 6.354 -2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 109 72.696 2.985 -3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 109 71.945 4.374 -3.949 1.00 0.00 H new ATOM 41 N VAL A 110 76.262 3.998 5.300 1.00 0.00 N ATOM 42 CA VAL A 110 77.133 4.658 6.264 1.00 0.00 C ATOM 43 C VAL A 110 77.870 5.831 5.628 1.00 0.00 C ATOM 44 O VAL A 110 78.563 5.671 4.624 1.00 0.00 O ATOM 45 CB VAL A 110 78.165 3.677 6.852 1.00 0.00 C ATOM 46 CG1 VAL A 110 78.922 4.324 8.003 1.00 0.00 C ATOM 47 CG2 VAL A 110 77.484 2.394 7.305 1.00 0.00 C ATOM 0 H VAL A 110 76.616 3.106 4.953 1.00 0.00 H new ATOM 0 HA VAL A 110 76.494 5.026 7.066 1.00 0.00 H new ATOM 0 HB VAL A 110 78.884 3.424 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 110 79.646 3.616 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 110 79.443 5.211 7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 110 78.219 4.609 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 110 78.228 1.713 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 110 76.742 2.626 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 110 76.993 1.922 6.454 1.00 0.00 H new ATOM 57 N LEU A 111 77.712 7.011 6.219 1.00 0.00 N ATOM 58 CA LEU A 111 78.359 8.216 5.709 1.00 0.00 C ATOM 59 C LEU A 111 79.724 8.435 6.361 1.00 0.00 C ATOM 60 O LEU A 111 80.248 9.549 6.362 1.00 0.00 O ATOM 61 CB LEU A 111 77.465 9.436 5.948 1.00 0.00 C ATOM 62 CG LEU A 111 77.343 10.392 4.759 1.00 0.00 C ATOM 63 CD1 LEU A 111 75.909 10.876 4.608 1.00 0.00 C ATOM 64 CD2 LEU A 111 78.291 11.570 4.922 1.00 0.00 C ATOM 0 H LEU A 111 77.142 7.159 7.052 1.00 0.00 H new ATOM 0 HA LEU A 111 78.513 8.084 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 111 76.468 9.089 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 111 77.854 9.990 6.802 1.00 0.00 H new ATOM 0 HG LEU A 111 77.620 9.852 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 111 75.842 11.555 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 111 75.252 10.022 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 111 75.604 11.399 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 111 78.190 12.239 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 111 78.046 12.110 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 111 79.317 11.206 4.979 1.00 0.00 H new ATOM 76 N ALA A 112 80.297 7.370 6.917 1.00 0.00 N ATOM 77 CA ALA A 112 81.598 7.457 7.568 1.00 0.00 C ATOM 78 C ALA A 112 81.574 8.466 8.712 1.00 0.00 C ATOM 79 O ALA A 112 81.866 9.647 8.517 1.00 0.00 O ATOM 80 CB ALA A 112 82.671 7.828 6.556 1.00 0.00 C ATOM 0 H ALA A 112 79.880 6.439 6.929 1.00 0.00 H new ATOM 0 HA ALA A 112 81.833 6.479 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 112 83.637 7.889 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 112 82.714 7.068 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 112 82.432 8.793 6.109 1.00 0.00 H new ATOM 86 N GLU A 113 81.225 7.995 9.903 1.00 0.00 N ATOM 87 CA GLU A 113 81.164 8.858 11.079 1.00 0.00 C ATOM 88 C GLU A 113 82.549 9.381 11.442 1.00 0.00 C ATOM 89 O GLU A 113 82.818 10.578 11.334 1.00 0.00 O ATOM 90 CB GLU A 113 80.565 8.097 12.265 1.00 0.00 C ATOM 91 CG GLU A 113 79.068 7.870 12.149 1.00 0.00 C ATOM 92 CD GLU A 113 78.725 6.475 11.664 1.00 0.00 C ATOM 93 OE1 GLU A 113 79.352 6.015 10.687 1.00 0.00 O ATOM 94 OE2 GLU A 113 77.831 5.841 12.264 1.00 0.00 O ATOM 0 H GLU A 113 80.980 7.021 10.081 1.00 0.00 H new ATOM 0 HA GLU A 113 80.525 9.709 10.842 1.00 0.00 H new ATOM 0 HB2 GLU A 113 81.064 7.132 12.356 1.00 0.00 H new ATOM 0 HB3 GLU A 113 80.770 8.650 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 113 78.603 8.037 13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 113 78.645 8.603 11.462 1.00 0.00 H new ATOM 101 N ARG A 114 83.424 8.479 11.873 1.00 0.00 N ATOM 102 CA ARG A 114 84.783 8.851 12.251 1.00 0.00 C ATOM 103 C ARG A 114 85.517 9.499 11.083 1.00 0.00 C ATOM 104 O ARG A 114 85.392 9.063 9.939 1.00 0.00 O ATOM 105 CB ARG A 114 85.553 7.621 12.734 1.00 0.00 C ATOM 106 CG ARG A 114 85.349 7.313 14.208 1.00 0.00 C ATOM 107 CD ARG A 114 86.289 6.217 14.684 1.00 0.00 C ATOM 108 NE ARG A 114 85.638 4.910 14.709 1.00 0.00 N ATOM 109 CZ ARG A 114 86.272 3.771 14.982 1.00 0.00 C ATOM 110 NH1 ARG A 114 87.570 3.776 15.254 1.00 0.00 N ATOM 111 NH2 ARG A 114 85.604 2.626 14.983 1.00 0.00 N ATOM 0 H ARG A 114 83.217 7.485 11.969 1.00 0.00 H new ATOM 0 HA ARG A 114 84.722 9.576 13.063 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.246 6.757 12.145 1.00 0.00 H new ATOM 0 HB3 ARG A 114 86.616 7.772 12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.514 8.216 14.796 1.00 0.00 H new ATOM 0 HG3 ARG A 114 84.317 7.007 14.377 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.159 6.176 14.029 1.00 0.00 H new ATOM 0 HD3 ARG A 114 86.653 6.460 15.682 1.00 0.00 H new ATOM 0 HE ARG A 114 84.639 4.867 14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 114 88.088 4.655 15.255 1.00 0.00 H new ATOM 0 HH12 ARG A 114 88.051 2.901 15.462 1.00 0.00 H new ATOM 0 HH21 ARG A 114 84.606 2.618 14.775 1.00 0.00 H new ATOM 0 HH22 ARG A 114 86.089 1.753 15.192 1.00 0.00 H new ATOM 125 N GLY A 115 86.284 10.544 11.378 1.00 0.00 N ATOM 126 CA GLY A 115 87.028 11.236 10.343 1.00 0.00 C ATOM 127 C GLY A 115 88.527 11.089 10.507 1.00 0.00 C ATOM 128 O GLY A 115 89.269 11.079 9.525 1.00 0.00 O ATOM 0 H GLY A 115 86.403 10.924 12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 115 86.733 10.849 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 115 86.766 12.294 10.358 1.00 0.00 H new ATOM 132 N GLU A 116 88.976 10.974 11.754 1.00 0.00 N ATOM 133 CA GLU A 116 90.396 10.828 12.047 1.00 0.00 C ATOM 134 C GLU A 116 90.844 9.382 11.859 1.00 0.00 C ATOM 135 O GLU A 116 90.028 8.461 11.874 1.00 0.00 O ATOM 136 CB GLU A 116 90.693 11.283 13.476 1.00 0.00 C ATOM 137 CG GLU A 116 92.043 11.966 13.630 1.00 0.00 C ATOM 138 CD GLU A 116 92.164 12.731 14.932 1.00 0.00 C ATOM 139 OE1 GLU A 116 91.341 13.641 15.166 1.00 0.00 O ATOM 140 OE2 GLU A 116 93.083 12.421 15.719 1.00 0.00 O ATOM 0 H GLU A 116 88.375 10.979 12.578 1.00 0.00 H new ATOM 0 HA GLU A 116 90.951 11.456 11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 116 89.910 11.968 13.800 1.00 0.00 H new ATOM 0 HB3 GLU A 116 90.655 10.419 14.139 1.00 0.00 H new ATOM 0 HG2 GLU A 116 92.833 11.217 13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 116 92.197 12.650 12.795 1.00 0.00 H new ATOM 147 N GLY A 117 92.147 9.191 11.684 1.00 0.00 N ATOM 148 CA GLY A 117 92.684 7.854 11.496 1.00 0.00 C ATOM 149 C GLY A 117 92.366 7.286 10.129 1.00 0.00 C ATOM 150 O GLY A 117 91.326 7.593 9.546 1.00 0.00 O ATOM 0 H GLY A 117 92.842 9.938 11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 117 93.765 7.878 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 117 92.280 7.193 12.263 1.00 0.00 H new ATOM 154 N HIS A 118 93.267 6.454 9.612 1.00 0.00 N ATOM 155 CA HIS A 118 93.080 5.840 8.302 1.00 0.00 C ATOM 156 C HIS A 118 91.775 5.051 8.252 1.00 0.00 C ATOM 157 O HIS A 118 91.407 4.381 9.217 1.00 0.00 O ATOM 158 CB HIS A 118 94.257 4.917 7.979 1.00 0.00 C ATOM 159 CG HIS A 118 95.479 5.644 7.508 1.00 0.00 C ATOM 160 ND1 HIS A 118 95.497 7.011 7.381 1.00 0.00 N ATOM 161 CD2 HIS A 118 96.691 5.150 7.151 1.00 0.00 C ATOM 162 CE1 HIS A 118 96.707 7.319 6.951 1.00 0.00 C ATOM 163 NE2 HIS A 118 97.467 6.224 6.797 1.00 0.00 N ATOM 0 H HIS A 118 94.133 6.190 10.081 1.00 0.00 H new ATOM 0 HA HIS A 118 93.032 6.635 7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 118 94.509 4.339 8.868 1.00 0.00 H new ATOM 0 HB3 HIS A 118 93.950 4.206 7.212 1.00 0.00 H new ATOM 0 HD1 HIS A 118 94.732 7.657 7.578 1.00 0.00 H new ATOM 0 HD2 HIS A 118 96.988 4.112 7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 118 97.043 8.325 6.749 1.00 0.00 H new ATOM 171 N ARG A 119 91.077 5.139 7.124 1.00 0.00 N ATOM 172 CA ARG A 119 89.812 4.433 6.955 1.00 0.00 C ATOM 173 C ARG A 119 89.949 3.291 5.952 1.00 0.00 C ATOM 174 O ARG A 119 89.511 2.170 6.213 1.00 0.00 O ATOM 175 CB ARG A 119 88.719 5.403 6.498 1.00 0.00 C ATOM 176 CG ARG A 119 89.019 6.082 5.172 1.00 0.00 C ATOM 177 CD ARG A 119 87.937 7.084 4.803 1.00 0.00 C ATOM 178 NE ARG A 119 87.643 7.069 3.371 1.00 0.00 N ATOM 179 CZ ARG A 119 86.520 7.545 2.839 1.00 0.00 C ATOM 180 NH1 ARG A 119 85.582 8.076 3.614 1.00 0.00 N ATOM 181 NH2 ARG A 119 86.335 7.492 1.526 1.00 0.00 N ATOM 0 H ARG A 119 91.365 5.691 6.316 1.00 0.00 H new ATOM 0 HA ARG A 119 89.533 4.009 7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 119 87.777 4.861 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 119 88.580 6.166 7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 119 89.982 6.590 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 119 89.103 5.330 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 119 87.029 6.859 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 119 88.253 8.085 5.098 1.00 0.00 H new ATOM 0 HE ARG A 119 88.340 6.670 2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 119 85.720 8.121 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 119 84.724 8.439 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 119 87.053 7.087 0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 119 85.475 7.857 1.117 1.00 0.00 H new ATOM 195 N PHE A 120 90.552 3.581 4.804 1.00 0.00 N ATOM 196 CA PHE A 120 90.739 2.574 3.763 1.00 0.00 C ATOM 197 C PHE A 120 89.405 1.938 3.380 1.00 0.00 C ATOM 198 O PHE A 120 88.940 1.010 4.040 1.00 0.00 O ATOM 199 CB PHE A 120 91.708 1.491 4.237 1.00 0.00 C ATOM 200 CG PHE A 120 93.141 1.932 4.295 1.00 0.00 C ATOM 201 CD1 PHE A 120 93.926 1.932 3.151 1.00 0.00 C ATOM 202 CD2 PHE A 120 93.706 2.341 5.491 1.00 0.00 C ATOM 203 CE1 PHE A 120 95.248 2.335 3.201 1.00 0.00 C ATOM 204 CE2 PHE A 120 95.027 2.745 5.546 1.00 0.00 C ATOM 205 CZ PHE A 120 95.798 2.741 4.401 1.00 0.00 C ATOM 0 H PHE A 120 90.919 4.503 4.570 1.00 0.00 H new ATOM 0 HA PHE A 120 91.157 3.069 2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 120 91.403 1.154 5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 120 91.630 0.632 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 120 93.500 1.614 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 120 93.108 2.344 6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 120 95.849 2.332 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 120 95.456 3.064 6.485 1.00 0.00 H new ATOM 0 HZ PHE A 120 96.830 3.055 4.444 1.00 0.00 H new ATOM 215 N VAL A 121 88.793 2.442 2.314 1.00 0.00 N ATOM 216 CA VAL A 121 87.511 1.914 1.855 1.00 0.00 C ATOM 217 C VAL A 121 87.703 0.717 0.927 1.00 0.00 C ATOM 218 O VAL A 121 88.255 0.846 -0.165 1.00 0.00 O ATOM 219 CB VAL A 121 86.686 2.990 1.124 1.00 0.00 C ATOM 220 CG1 VAL A 121 86.174 4.031 2.110 1.00 0.00 C ATOM 221 CG2 VAL A 121 87.508 3.648 0.025 1.00 0.00 C ATOM 0 H VAL A 121 89.160 3.211 1.754 1.00 0.00 H new ATOM 0 HA VAL A 121 86.969 1.594 2.745 1.00 0.00 H new ATOM 0 HB VAL A 121 85.827 2.505 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 121 85.593 4.783 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 121 85.543 3.547 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 121 87.019 4.509 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 121 86.905 4.404 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 121 88.389 4.118 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 121 87.820 2.894 -0.698 1.00 0.00 H new ATOM 231 N GLU A 122 87.243 -0.447 1.374 1.00 0.00 N ATOM 232 CA GLU A 122 87.361 -1.669 0.585 1.00 0.00 C ATOM 233 C GLU A 122 86.587 -1.549 -0.724 1.00 0.00 C ATOM 234 O GLU A 122 85.409 -1.194 -0.729 1.00 0.00 O ATOM 235 CB GLU A 122 86.850 -2.870 1.384 1.00 0.00 C ATOM 236 CG GLU A 122 85.369 -2.796 1.714 1.00 0.00 C ATOM 237 CD GLU A 122 84.939 -3.867 2.699 1.00 0.00 C ATOM 238 OE1 GLU A 122 84.780 -5.032 2.277 1.00 0.00 O ATOM 239 OE2 GLU A 122 84.763 -3.540 3.891 1.00 0.00 O ATOM 0 H GLU A 122 86.786 -0.570 2.277 1.00 0.00 H new ATOM 0 HA GLU A 122 88.415 -1.819 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 122 87.042 -3.781 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 122 87.417 -2.946 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 122 85.141 -1.814 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 122 84.790 -2.898 0.796 1.00 0.00 H new ATOM 246 N LEU A 123 87.259 -1.846 -1.833 1.00 0.00 N ATOM 247 CA LEU A 123 86.634 -1.771 -3.147 1.00 0.00 C ATOM 248 C LEU A 123 85.822 -3.029 -3.439 1.00 0.00 C ATOM 249 O LEU A 123 86.379 -4.076 -3.772 1.00 0.00 O ATOM 250 CB LEU A 123 87.698 -1.573 -4.230 1.00 0.00 C ATOM 251 CG LEU A 123 88.083 -0.119 -4.504 1.00 0.00 C ATOM 252 CD1 LEU A 123 86.931 0.624 -5.162 1.00 0.00 C ATOM 253 CD2 LEU A 123 88.500 0.573 -3.214 1.00 0.00 C ATOM 0 H LEU A 123 88.235 -2.140 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 123 85.957 -0.917 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 123 88.595 -2.122 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 123 87.337 -2.018 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 123 88.931 -0.110 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 123 87.224 1.657 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 123 86.679 0.141 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 123 86.063 0.607 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 123 88.771 1.607 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 123 87.671 0.553 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 123 89.357 0.055 -2.784 1.00 0.00 H new ATOM 265 N ALA A 124 84.503 -2.920 -3.312 1.00 0.00 N ATOM 266 CA ALA A 124 83.615 -4.050 -3.563 1.00 0.00 C ATOM 267 C ALA A 124 83.562 -4.384 -5.049 1.00 0.00 C ATOM 268 O ALA A 124 82.537 -4.190 -5.706 1.00 0.00 O ATOM 269 CB ALA A 124 82.220 -3.747 -3.035 1.00 0.00 C ATOM 0 H ALA A 124 84.026 -2.061 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 124 84.010 -4.919 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 124 81.565 -4.597 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 124 82.269 -3.563 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 124 81.825 -2.864 -3.537 1.00 0.00 H new ATOM 275 N LEU A 125 84.672 -4.889 -5.577 1.00 0.00 N ATOM 276 CA LEU A 125 84.753 -5.249 -6.987 1.00 0.00 C ATOM 277 C LEU A 125 84.421 -6.723 -7.198 1.00 0.00 C ATOM 278 O LEU A 125 83.929 -7.110 -8.259 1.00 0.00 O ATOM 279 CB LEU A 125 86.151 -4.948 -7.534 1.00 0.00 C ATOM 280 CG LEU A 125 86.728 -3.591 -7.123 1.00 0.00 C ATOM 281 CD1 LEU A 125 88.210 -3.715 -6.800 1.00 0.00 C ATOM 282 CD2 LEU A 125 86.506 -2.563 -8.223 1.00 0.00 C ATOM 0 H LEU A 125 85.528 -5.058 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 125 84.020 -4.650 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 125 86.832 -5.731 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 125 86.117 -4.997 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 125 86.209 -3.254 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 125 88.602 -2.740 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 125 88.346 -4.419 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 125 88.745 -4.074 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 125 86.922 -1.604 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 125 86.999 -2.895 -9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 125 85.437 -2.452 -8.407 1.00 0.00 H new ATOM 294 N ARG A 126 84.694 -7.540 -6.183 1.00 0.00 N ATOM 295 CA ARG A 126 84.427 -8.974 -6.257 1.00 0.00 C ATOM 296 C ARG A 126 85.283 -9.629 -7.338 1.00 0.00 C ATOM 297 O ARG A 126 86.285 -10.281 -7.040 1.00 0.00 O ATOM 298 CB ARG A 126 82.945 -9.230 -6.538 1.00 0.00 C ATOM 299 CG ARG A 126 82.100 -9.357 -5.281 1.00 0.00 C ATOM 300 CD ARG A 126 80.617 -9.233 -5.594 1.00 0.00 C ATOM 301 NE ARG A 126 79.838 -8.872 -4.411 1.00 0.00 N ATOM 302 CZ ARG A 126 78.607 -8.369 -4.459 1.00 0.00 C ATOM 303 NH1 ARG A 126 78.011 -8.168 -5.628 1.00 0.00 N ATOM 304 NH2 ARG A 126 77.970 -8.067 -3.336 1.00 0.00 N ATOM 0 H ARG A 126 85.100 -7.233 -5.299 1.00 0.00 H new ATOM 0 HA ARG A 126 84.685 -9.415 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 126 82.554 -8.416 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 126 82.848 -10.143 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 126 82.294 -10.319 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 126 82.389 -8.585 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 126 80.471 -8.480 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 126 80.251 -10.178 -5.995 1.00 0.00 H new ATOM 0 HE ARG A 126 80.263 -9.014 -3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 126 78.497 -8.399 -6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 126 77.067 -7.782 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 126 78.424 -8.220 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 126 77.026 -7.681 -3.373 1.00 0.00 H new ATOM 318 N GLY A 127 84.887 -9.448 -8.593 1.00 0.00 N ATOM 319 CA GLY A 127 85.630 -10.023 -9.697 1.00 0.00 C ATOM 320 C GLY A 127 86.434 -8.983 -10.455 1.00 0.00 C ATOM 321 O GLY A 127 87.408 -9.315 -11.132 1.00 0.00 O ATOM 0 H GLY A 127 84.063 -8.912 -8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 127 86.302 -10.793 -9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 127 84.938 -10.513 -10.381 1.00 0.00 H new ATOM 325 N GLY A 128 86.028 -7.721 -10.341 1.00 0.00 N ATOM 326 CA GLY A 128 86.729 -6.651 -11.024 1.00 0.00 C ATOM 327 C GLY A 128 88.185 -6.550 -10.609 1.00 0.00 C ATOM 328 O GLY A 128 88.527 -6.855 -9.467 1.00 0.00 O ATOM 0 H GLY A 128 85.225 -7.422 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 128 86.672 -6.813 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 128 86.230 -5.704 -10.818 1.00 0.00 H new ATOM 332 N PRO A 129 89.075 -6.125 -11.523 1.00 0.00 N ATOM 333 CA PRO A 129 90.503 -5.994 -11.232 1.00 0.00 C ATOM 334 C PRO A 129 90.819 -4.777 -10.368 1.00 0.00 C ATOM 335 O PRO A 129 90.055 -3.813 -10.327 1.00 0.00 O ATOM 336 CB PRO A 129 91.130 -5.831 -12.617 1.00 0.00 C ATOM 337 CG PRO A 129 90.059 -5.210 -13.445 1.00 0.00 C ATOM 338 CD PRO A 129 88.754 -5.745 -12.913 1.00 0.00 C ATOM 0 HA PRO A 129 90.879 -6.848 -10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 129 92.017 -5.199 -12.578 1.00 0.00 H new ATOM 0 HB3 PRO A 129 91.441 -6.792 -13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 129 90.092 -4.123 -13.373 1.00 0.00 H new ATOM 0 HG3 PRO A 129 90.184 -5.464 -14.498 1.00 0.00 H new ATOM 0 HD2 PRO A 129 87.967 -4.992 -12.951 1.00 0.00 H new ATOM 0 HD3 PRO A 129 88.405 -6.600 -13.492 1.00 0.00 H new ATOM 346 N GLY A 130 91.960 -4.830 -9.690 1.00 0.00 N ATOM 347 CA GLY A 130 92.383 -3.734 -8.848 1.00 0.00 C ATOM 348 C GLY A 130 93.888 -3.608 -8.853 1.00 0.00 C ATOM 349 O GLY A 130 94.595 -4.613 -8.874 1.00 0.00 O ATOM 0 H GLY A 130 92.603 -5.622 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 130 91.934 -2.805 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 130 92.030 -3.894 -7.829 1.00 0.00 H new ATOM 353 N TRP A 131 94.387 -2.384 -8.863 1.00 0.00 N ATOM 354 CA TRP A 131 95.825 -2.163 -8.895 1.00 0.00 C ATOM 355 C TRP A 131 96.314 -1.495 -7.617 1.00 0.00 C ATOM 356 O TRP A 131 95.995 -0.338 -7.343 1.00 0.00 O ATOM 357 CB TRP A 131 96.185 -1.322 -10.116 1.00 0.00 C ATOM 358 CG TRP A 131 95.938 -2.037 -11.410 1.00 0.00 C ATOM 359 CD1 TRP A 131 94.793 -2.674 -11.789 1.00 0.00 C ATOM 360 CD2 TRP A 131 96.860 -2.191 -12.496 1.00 0.00 C ATOM 361 NE1 TRP A 131 94.944 -3.217 -13.041 1.00 0.00 N ATOM 362 CE2 TRP A 131 96.205 -2.933 -13.497 1.00 0.00 C ATOM 363 CE3 TRP A 131 98.176 -1.774 -12.719 1.00 0.00 C ATOM 364 CZ2 TRP A 131 96.820 -3.265 -14.702 1.00 0.00 C ATOM 365 CZ3 TRP A 131 98.785 -2.103 -13.915 1.00 0.00 C ATOM 366 CH2 TRP A 131 98.107 -2.843 -14.893 1.00 0.00 C ATOM 0 H TRP A 131 93.824 -1.533 -8.850 1.00 0.00 H new ATOM 0 HA TRP A 131 96.323 -3.130 -8.965 1.00 0.00 H new ATOM 0 HB2 TRP A 131 95.604 -0.400 -10.100 1.00 0.00 H new ATOM 0 HB3 TRP A 131 97.236 -1.038 -10.058 1.00 0.00 H new ATOM 0 HD1 TRP A 131 93.897 -2.742 -11.190 1.00 0.00 H new ATOM 0 HE1 TRP A 131 94.234 -3.745 -13.549 1.00 0.00 H new ATOM 0 HE3 TRP A 131 98.707 -1.205 -11.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 96.300 -3.835 -15.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 99.800 -1.785 -14.099 1.00 0.00 H new ATOM 0 HH2 TRP A 131 98.611 -3.085 -15.817 1.00 0.00 H new ATOM 377 N CYS A 132 97.096 -2.238 -6.837 1.00 0.00 N ATOM 378 CA CYS A 132 97.638 -1.732 -5.583 1.00 0.00 C ATOM 379 C CYS A 132 98.488 -0.486 -5.820 1.00 0.00 C ATOM 380 O CYS A 132 99.691 -0.579 -6.064 1.00 0.00 O ATOM 381 CB CYS A 132 98.471 -2.817 -4.900 1.00 0.00 C ATOM 382 SG CYS A 132 99.246 -2.292 -3.339 1.00 0.00 S ATOM 0 H CYS A 132 97.368 -3.197 -7.055 1.00 0.00 H new ATOM 0 HA CYS A 132 96.806 -1.457 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 132 97.833 -3.679 -4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 132 99.251 -3.147 -5.587 1.00 0.00 H new ATOM 387 N ASP A 133 97.843 0.675 -5.746 1.00 0.00 N ATOM 388 CA ASP A 133 98.518 1.956 -5.955 1.00 0.00 C ATOM 389 C ASP A 133 99.865 2.001 -5.238 1.00 0.00 C ATOM 390 O ASP A 133 100.829 2.579 -5.741 1.00 0.00 O ATOM 391 CB ASP A 133 97.634 3.104 -5.466 1.00 0.00 C ATOM 392 CG ASP A 133 96.326 3.193 -6.229 1.00 0.00 C ATOM 393 OD1 ASP A 133 96.363 3.533 -7.431 1.00 0.00 O ATOM 394 OD2 ASP A 133 95.268 2.923 -5.625 1.00 0.00 O ATOM 0 H ASP A 133 96.847 0.757 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 133 98.698 2.065 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 133 97.424 2.970 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 133 98.175 4.045 -5.568 1.00 0.00 H new ATOM 399 N LEU A 134 99.920 1.385 -4.065 1.00 0.00 N ATOM 400 CA LEU A 134 101.144 1.348 -3.276 1.00 0.00 C ATOM 401 C LEU A 134 102.271 0.684 -4.065 1.00 0.00 C ATOM 402 O LEU A 134 103.333 1.277 -4.272 1.00 0.00 O ATOM 403 CB LEU A 134 100.882 0.607 -1.955 1.00 0.00 C ATOM 404 CG LEU A 134 102.036 -0.242 -1.409 1.00 0.00 C ATOM 405 CD1 LEU A 134 102.949 0.595 -0.529 1.00 0.00 C ATOM 406 CD2 LEU A 134 101.489 -1.431 -0.636 1.00 0.00 C ATOM 0 H LEU A 134 99.129 0.903 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 134 101.456 2.367 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 134 100.612 1.343 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 134 100.016 -0.041 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 134 102.624 -0.612 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 134 103.761 -0.027 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 134 103.363 1.418 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 134 102.379 0.995 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 134 102.317 -2.028 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 134 100.882 -1.076 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 134 100.876 -2.044 -1.297 1.00 0.00 H new ATOM 418 N CYS A 135 102.035 -0.549 -4.495 1.00 0.00 N ATOM 419 CA CYS A 135 103.029 -1.302 -5.256 1.00 0.00 C ATOM 420 C CYS A 135 102.812 -1.129 -6.755 1.00 0.00 C ATOM 421 O CYS A 135 103.625 -0.511 -7.444 1.00 0.00 O ATOM 422 CB CYS A 135 102.971 -2.791 -4.892 1.00 0.00 C ATOM 423 SG CYS A 135 102.506 -3.135 -3.164 1.00 0.00 S ATOM 0 H CYS A 135 101.163 -1.051 -4.330 1.00 0.00 H new ATOM 0 HA CYS A 135 104.013 -0.911 -4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 135 102.257 -3.285 -5.551 1.00 0.00 H new ATOM 0 HB3 CYS A 135 103.946 -3.237 -5.087 1.00 0.00 H new ATOM 428 N GLY A 136 101.711 -1.680 -7.255 1.00 0.00 N ATOM 429 CA GLY A 136 101.407 -1.579 -8.671 1.00 0.00 C ATOM 430 C GLY A 136 100.892 -2.884 -9.255 1.00 0.00 C ATOM 431 O GLY A 136 100.392 -2.912 -10.379 1.00 0.00 O ATOM 0 H GLY A 136 101.023 -2.195 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 136 100.662 -0.798 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 136 102.304 -1.273 -9.210 1.00 0.00 H new ATOM 435 N ARG A 137 101.017 -3.968 -8.493 1.00 0.00 N ATOM 436 CA ARG A 137 100.561 -5.277 -8.947 1.00 0.00 C ATOM 437 C ARG A 137 99.037 -5.343 -8.973 1.00 0.00 C ATOM 438 O ARG A 137 98.359 -4.403 -8.559 1.00 0.00 O ATOM 439 CB ARG A 137 101.114 -6.377 -8.039 1.00 0.00 C ATOM 440 CG ARG A 137 102.617 -6.571 -8.164 1.00 0.00 C ATOM 441 CD ARG A 137 103.021 -6.879 -9.596 1.00 0.00 C ATOM 442 NE ARG A 137 103.397 -5.672 -10.329 1.00 0.00 N ATOM 443 CZ ARG A 137 104.600 -5.106 -10.258 1.00 0.00 C ATOM 444 NH1 ARG A 137 105.544 -5.626 -9.484 1.00 0.00 N ATOM 445 NH2 ARG A 137 104.858 -4.011 -10.961 1.00 0.00 N ATOM 0 H ARG A 137 101.430 -3.965 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 137 100.932 -5.431 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 137 100.872 -6.138 -7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 137 100.614 -7.316 -8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 137 103.131 -5.671 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 137 102.936 -7.384 -7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 137 103.857 -7.578 -9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 137 102.195 -7.372 -10.108 1.00 0.00 H new ATOM 0 HE ARG A 137 102.697 -5.238 -10.930 1.00 0.00 H new ATOM 0 HH11 ARG A 137 105.351 -6.465 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 137 106.463 -5.186 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 137 104.135 -3.604 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 137 105.779 -3.576 -10.908 1.00 0.00 H new ATOM 459 N GLU A 138 98.506 -6.458 -9.463 1.00 0.00 N ATOM 460 CA GLU A 138 97.062 -6.645 -9.542 1.00 0.00 C ATOM 461 C GLU A 138 96.519 -7.236 -8.246 1.00 0.00 C ATOM 462 O GLU A 138 96.864 -8.356 -7.867 1.00 0.00 O ATOM 463 CB GLU A 138 96.705 -7.551 -10.723 1.00 0.00 C ATOM 464 CG GLU A 138 95.700 -6.933 -11.681 1.00 0.00 C ATOM 465 CD GLU A 138 94.542 -7.864 -11.993 1.00 0.00 C ATOM 466 OE1 GLU A 138 94.158 -8.650 -11.102 1.00 0.00 O ATOM 467 OE2 GLU A 138 94.020 -7.802 -13.126 1.00 0.00 O ATOM 0 H GLU A 138 99.053 -7.245 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 138 96.602 -5.669 -9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 138 97.615 -7.795 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 138 96.302 -8.489 -10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 138 95.313 -6.010 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 138 96.206 -6.664 -12.609 1.00 0.00 H new ATOM 474 N VAL A 139 95.667 -6.474 -7.568 1.00 0.00 N ATOM 475 CA VAL A 139 95.074 -6.918 -6.314 1.00 0.00 C ATOM 476 C VAL A 139 93.943 -7.914 -6.562 1.00 0.00 C ATOM 477 O VAL A 139 92.929 -7.580 -7.175 1.00 0.00 O ATOM 478 CB VAL A 139 94.541 -5.723 -5.493 1.00 0.00 C ATOM 479 CG1 VAL A 139 95.637 -4.684 -5.288 1.00 0.00 C ATOM 480 CG2 VAL A 139 93.326 -5.098 -6.165 1.00 0.00 C ATOM 0 H VAL A 139 95.372 -5.545 -7.867 1.00 0.00 H new ATOM 0 HA VAL A 139 95.861 -7.412 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 139 94.231 -6.094 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 139 95.243 -3.850 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 139 96.472 -5.136 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 139 95.981 -4.322 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 139 92.971 -4.259 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 139 93.602 -4.744 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 139 92.535 -5.843 -6.252 1.00 0.00 H new ATOM 490 N LEU A 140 94.125 -9.140 -6.083 1.00 0.00 N ATOM 491 CA LEU A 140 93.122 -10.183 -6.256 1.00 0.00 C ATOM 492 C LEU A 140 91.971 -9.996 -5.272 1.00 0.00 C ATOM 493 O LEU A 140 90.810 -10.224 -5.610 1.00 0.00 O ATOM 494 CB LEU A 140 93.754 -11.564 -6.066 1.00 0.00 C ATOM 495 CG LEU A 140 94.151 -12.277 -7.363 1.00 0.00 C ATOM 496 CD1 LEU A 140 95.661 -12.260 -7.542 1.00 0.00 C ATOM 497 CD2 LEU A 140 93.628 -13.706 -7.371 1.00 0.00 C ATOM 0 H LEU A 140 94.957 -9.435 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 140 92.726 -10.110 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 140 94.641 -11.459 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 140 93.053 -12.196 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 140 93.700 -11.742 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 140 95.923 -12.771 -8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 140 96.011 -11.229 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 140 96.133 -12.768 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 140 93.920 -14.195 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 140 94.048 -14.252 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 140 92.541 -13.696 -7.293 1.00 0.00 H new ATOM 509 N ARG A 141 92.303 -9.578 -4.056 1.00 0.00 N ATOM 510 CA ARG A 141 91.298 -9.359 -3.023 1.00 0.00 C ATOM 511 C ARG A 141 90.805 -7.914 -3.042 1.00 0.00 C ATOM 512 O ARG A 141 91.461 -7.032 -3.594 1.00 0.00 O ATOM 513 CB ARG A 141 91.871 -9.699 -1.645 1.00 0.00 C ATOM 514 CG ARG A 141 91.258 -10.943 -1.022 1.00 0.00 C ATOM 515 CD ARG A 141 91.644 -11.079 0.442 1.00 0.00 C ATOM 516 NE ARG A 141 93.065 -11.369 0.608 1.00 0.00 N ATOM 517 CZ ARG A 141 93.600 -12.576 0.437 1.00 0.00 C ATOM 518 NH1 ARG A 141 92.836 -13.605 0.097 1.00 0.00 N ATOM 519 NH2 ARG A 141 94.903 -12.753 0.606 1.00 0.00 N ATOM 0 H ARG A 141 93.260 -9.384 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 141 90.452 -10.015 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 141 92.948 -9.840 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 141 91.714 -8.853 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 141 90.173 -10.899 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 141 91.587 -11.826 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 141 91.398 -10.157 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 141 91.056 -11.874 0.900 1.00 0.00 H new ATOM 0 HE ARG A 141 93.684 -10.602 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 141 91.833 -13.474 -0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 141 93.251 -14.528 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 141 95.495 -11.965 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 141 95.313 -13.678 0.475 1.00 0.00 H new ATOM 533 N GLN A 142 89.648 -7.682 -2.433 1.00 0.00 N ATOM 534 CA GLN A 142 89.068 -6.346 -2.379 1.00 0.00 C ATOM 535 C GLN A 142 90.003 -5.378 -1.662 1.00 0.00 C ATOM 536 O GLN A 142 89.932 -5.217 -0.444 1.00 0.00 O ATOM 537 CB GLN A 142 87.713 -6.384 -1.668 1.00 0.00 C ATOM 538 CG GLN A 142 87.780 -6.953 -0.260 1.00 0.00 C ATOM 539 CD GLN A 142 86.755 -8.045 -0.022 1.00 0.00 C ATOM 540 OE1 GLN A 142 86.871 -9.150 -0.553 1.00 0.00 O ATOM 541 NE2 GLN A 142 85.741 -7.739 0.779 1.00 0.00 N ATOM 0 H GLN A 142 89.093 -8.402 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 142 88.925 -5.997 -3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 142 87.307 -5.373 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 142 87.018 -6.981 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 142 88.778 -7.352 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 142 87.623 -6.150 0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 142 85.684 -6.811 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 142 85.019 -8.432 0.975 1.00 0.00 H new ATOM 550 N ALA A 143 90.880 -4.736 -2.428 1.00 0.00 N ATOM 551 CA ALA A 143 91.831 -3.784 -1.868 1.00 0.00 C ATOM 552 C ALA A 143 91.112 -2.669 -1.118 1.00 0.00 C ATOM 553 O ALA A 143 89.950 -2.370 -1.392 1.00 0.00 O ATOM 554 CB ALA A 143 92.704 -3.204 -2.970 1.00 0.00 C ATOM 0 H ALA A 143 90.951 -4.858 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 143 92.465 -4.314 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 143 93.410 -2.494 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 143 93.252 -4.008 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 143 92.077 -2.693 -3.700 1.00 0.00 H new ATOM 560 N LEU A 144 91.810 -2.056 -0.167 1.00 0.00 N ATOM 561 CA LEU A 144 91.235 -0.974 0.623 1.00 0.00 C ATOM 562 C LEU A 144 91.858 0.364 0.231 1.00 0.00 C ATOM 563 O LEU A 144 93.079 0.516 0.236 1.00 0.00 O ATOM 564 CB LEU A 144 91.437 -1.239 2.116 1.00 0.00 C ATOM 565 CG LEU A 144 91.294 -2.702 2.545 1.00 0.00 C ATOM 566 CD1 LEU A 144 92.300 -3.041 3.633 1.00 0.00 C ATOM 567 CD2 LEU A 144 89.877 -2.978 3.022 1.00 0.00 C ATOM 0 H LEU A 144 92.773 -2.290 0.075 1.00 0.00 H new ATOM 0 HA LEU A 144 90.165 -0.929 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 144 92.430 -0.890 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 144 90.717 -0.641 2.675 1.00 0.00 H new ATOM 0 HG LEU A 144 91.498 -3.336 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 144 92.183 -4.085 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 144 93.310 -2.881 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 144 92.129 -2.401 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 144 89.791 -4.022 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 144 89.647 -2.335 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 144 89.175 -2.775 2.213 1.00 0.00 H new ATOM 579 N ARG A 145 91.010 1.319 -0.136 1.00 0.00 N ATOM 580 CA ARG A 145 91.478 2.634 -0.565 1.00 0.00 C ATOM 581 C ARG A 145 91.234 3.707 0.487 1.00 0.00 C ATOM 582 O ARG A 145 90.097 4.114 0.720 1.00 0.00 O ATOM 583 CB ARG A 145 90.785 3.032 -1.869 1.00 0.00 C ATOM 584 CG ARG A 145 91.274 4.356 -2.439 1.00 0.00 C ATOM 585 CD ARG A 145 90.117 5.225 -2.908 1.00 0.00 C ATOM 586 NE ARG A 145 90.290 5.668 -4.289 1.00 0.00 N ATOM 587 CZ ARG A 145 90.032 4.908 -5.350 1.00 0.00 C ATOM 588 NH1 ARG A 145 89.589 3.667 -5.192 1.00 0.00 N ATOM 589 NH2 ARG A 145 90.216 5.390 -6.571 1.00 0.00 N ATOM 0 H ARG A 145 89.996 1.208 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 145 92.555 2.560 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 145 90.943 2.247 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 145 89.711 3.095 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 145 91.847 4.890 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 145 91.949 4.166 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 145 89.185 4.666 -2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 145 90.029 6.095 -2.257 1.00 0.00 H new ATOM 0 HE ARG A 145 90.629 6.617 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 145 89.445 3.292 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 145 89.392 3.088 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 145 90.555 6.344 -6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 145 90.018 4.807 -7.384 1.00 0.00 H new ATOM 603 N CYS A 146 92.310 4.180 1.105 1.00 0.00 N ATOM 604 CA CYS A 146 92.205 5.225 2.114 1.00 0.00 C ATOM 605 C CYS A 146 92.112 6.590 1.439 1.00 0.00 C ATOM 606 O CYS A 146 93.100 7.319 1.347 1.00 0.00 O ATOM 607 CB CYS A 146 93.408 5.183 3.059 1.00 0.00 C ATOM 608 SG CYS A 146 93.505 6.584 4.223 1.00 0.00 S ATOM 0 H CYS A 146 93.261 3.858 0.926 1.00 0.00 H new ATOM 0 HA CYS A 146 91.302 5.055 2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 146 93.374 4.255 3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 146 94.321 5.158 2.464 1.00 0.00 H new ATOM 613 N ALA A 147 90.917 6.925 0.962 1.00 0.00 N ATOM 614 CA ALA A 147 90.687 8.198 0.283 1.00 0.00 C ATOM 615 C ALA A 147 91.067 9.391 1.159 1.00 0.00 C ATOM 616 O ALA A 147 91.139 10.522 0.678 1.00 0.00 O ATOM 617 CB ALA A 147 89.232 8.304 -0.147 1.00 0.00 C ATOM 0 H ALA A 147 90.090 6.332 1.033 1.00 0.00 H new ATOM 0 HA ALA A 147 91.329 8.222 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 147 89.070 9.256 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 147 88.993 7.487 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 147 88.588 8.245 0.730 1.00 0.00 H new ATOM 623 N ASN A 148 91.307 9.143 2.444 1.00 0.00 N ATOM 624 CA ASN A 148 91.676 10.206 3.368 1.00 0.00 C ATOM 625 C ASN A 148 93.066 10.760 3.062 1.00 0.00 C ATOM 626 O ASN A 148 93.384 11.887 3.441 1.00 0.00 O ATOM 627 CB ASN A 148 91.615 9.702 4.811 1.00 0.00 C ATOM 628 CG ASN A 148 90.207 9.728 5.372 1.00 0.00 C ATOM 629 OD1 ASN A 148 89.253 10.055 4.668 1.00 0.00 O ATOM 630 ND2 ASN A 148 90.071 9.380 6.646 1.00 0.00 N ATOM 0 H ASN A 148 91.252 8.216 2.866 1.00 0.00 H new ATOM 0 HA ASN A 148 90.958 11.017 3.242 1.00 0.00 H new ATOM 0 HB2 ASN A 148 92.002 8.684 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 148 92.264 10.316 5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 148 89.147 9.377 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 148 90.891 9.116 7.193 1.00 0.00 H new ATOM 637 N CYS A 149 93.897 9.975 2.375 1.00 0.00 N ATOM 638 CA CYS A 149 95.245 10.427 2.038 1.00 0.00 C ATOM 639 C CYS A 149 95.972 9.414 1.160 1.00 0.00 C ATOM 640 O CYS A 149 96.577 9.777 0.151 1.00 0.00 O ATOM 641 CB CYS A 149 96.050 10.682 3.313 1.00 0.00 C ATOM 642 SG CYS A 149 95.914 9.358 4.557 1.00 0.00 S ATOM 0 H CYS A 149 93.665 9.038 2.046 1.00 0.00 H new ATOM 0 HA CYS A 149 95.152 11.356 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 149 97.099 10.810 3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 149 95.717 11.620 3.758 1.00 0.00 H new ATOM 647 N LYS A 150 95.920 8.147 1.554 1.00 0.00 N ATOM 648 CA LYS A 150 96.587 7.090 0.804 1.00 0.00 C ATOM 649 C LYS A 150 95.777 6.702 -0.439 1.00 0.00 C ATOM 650 O LYS A 150 95.189 7.563 -1.095 1.00 0.00 O ATOM 651 CB LYS A 150 96.828 5.871 1.706 1.00 0.00 C ATOM 652 CG LYS A 150 97.104 6.226 3.160 1.00 0.00 C ATOM 653 CD LYS A 150 98.301 5.462 3.707 1.00 0.00 C ATOM 654 CE LYS A 150 99.574 6.286 3.620 1.00 0.00 C ATOM 655 NZ LYS A 150 100.379 5.940 2.416 1.00 0.00 N ATOM 0 H LYS A 150 95.424 7.827 2.386 1.00 0.00 H new ATOM 0 HA LYS A 150 97.553 7.465 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 150 95.956 5.219 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 150 97.671 5.302 1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 150 97.286 7.297 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 150 96.223 6.003 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 150 98.115 5.187 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 150 98.428 4.534 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 150 99.319 7.346 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 150 100.173 6.124 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 101.239 6.524 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 100.644 4.935 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 99.817 6.119 1.559 1.00 0.00 H new ATOM 669 N PHE A 151 95.756 5.410 -0.766 1.00 0.00 N ATOM 670 CA PHE A 151 95.031 4.924 -1.936 1.00 0.00 C ATOM 671 C PHE A 151 94.615 3.464 -1.752 1.00 0.00 C ATOM 672 O PHE A 151 94.706 2.921 -0.650 1.00 0.00 O ATOM 673 CB PHE A 151 95.895 5.075 -3.194 1.00 0.00 C ATOM 674 CG PHE A 151 97.370 4.940 -2.937 1.00 0.00 C ATOM 675 CD1 PHE A 151 97.853 3.944 -2.104 1.00 0.00 C ATOM 676 CD2 PHE A 151 98.272 5.810 -3.530 1.00 0.00 C ATOM 677 CE1 PHE A 151 99.210 3.817 -1.867 1.00 0.00 C ATOM 678 CE2 PHE A 151 99.629 5.689 -3.296 1.00 0.00 C ATOM 679 CZ PHE A 151 100.097 4.692 -2.463 1.00 0.00 C ATOM 0 H PHE A 151 96.234 4.682 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 151 94.128 5.524 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 151 95.593 4.324 -3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 151 95.701 6.050 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 151 97.162 3.259 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 151 97.910 6.591 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 151 99.575 3.035 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 151 100.322 6.373 -3.764 1.00 0.00 H new ATOM 0 HZ PHE A 151 101.157 4.596 -2.278 1.00 0.00 H new ATOM 689 N THR A 152 94.152 2.834 -2.834 1.00 0.00 N ATOM 690 CA THR A 152 93.717 1.440 -2.783 1.00 0.00 C ATOM 691 C THR A 152 94.910 0.490 -2.724 1.00 0.00 C ATOM 692 O THR A 152 95.532 0.192 -3.744 1.00 0.00 O ATOM 693 CB THR A 152 92.854 1.113 -4.002 1.00 0.00 C ATOM 694 OG1 THR A 152 92.230 2.281 -4.503 1.00 0.00 O ATOM 695 CG2 THR A 152 91.765 0.101 -3.711 1.00 0.00 C ATOM 0 H THR A 152 94.069 3.268 -3.754 1.00 0.00 H new ATOM 0 HA THR A 152 93.128 1.305 -1.876 1.00 0.00 H new ATOM 0 HB THR A 152 93.540 0.686 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 152 91.684 2.051 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 152 91.190 -0.086 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 152 92.216 -0.831 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 152 91.104 0.490 -2.936 1.00 0.00 H new ATOM 703 N CYS A 153 95.223 0.023 -1.519 1.00 0.00 N ATOM 704 CA CYS A 153 96.344 -0.888 -1.315 1.00 0.00 C ATOM 705 C CYS A 153 95.862 -2.327 -1.149 1.00 0.00 C ATOM 706 O CYS A 153 94.686 -2.570 -0.877 1.00 0.00 O ATOM 707 CB CYS A 153 97.137 -0.465 -0.077 1.00 0.00 C ATOM 708 SG CYS A 153 96.229 -0.634 1.479 1.00 0.00 S ATOM 0 H CYS A 153 94.715 0.261 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 153 96.984 -0.841 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 153 98.047 -1.063 -0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 153 97.445 0.574 -0.194 1.00 0.00 H new ATOM 0 HG CYS A 153 95.815 0.535 1.869 1.00 0.00 H new ATOM 714 N HIS A 154 96.780 -3.277 -1.293 1.00 0.00 N ATOM 715 CA HIS A 154 96.448 -4.690 -1.137 1.00 0.00 C ATOM 716 C HIS A 154 95.911 -4.950 0.266 1.00 0.00 C ATOM 717 O HIS A 154 96.198 -4.197 1.199 1.00 0.00 O ATOM 718 CB HIS A 154 97.681 -5.567 -1.385 1.00 0.00 C ATOM 719 CG HIS A 154 97.954 -5.855 -2.828 1.00 0.00 C ATOM 720 ND1 HIS A 154 99.053 -5.331 -3.464 1.00 0.00 N ATOM 721 CD2 HIS A 154 97.261 -6.624 -3.701 1.00 0.00 C ATOM 722 CE1 HIS A 154 99.009 -5.791 -4.702 1.00 0.00 C ATOM 723 NE2 HIS A 154 97.940 -6.580 -4.894 1.00 0.00 N ATOM 0 H HIS A 154 97.758 -3.095 -1.517 1.00 0.00 H new ATOM 0 HA HIS A 154 95.683 -4.944 -1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 154 98.554 -5.077 -0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 154 97.552 -6.512 -0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 154 96.350 -7.167 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 154 99.740 -5.561 -5.463 1.00 0.00 H new ATOM 0 HE2 HIS A 154 97.682 -7.055 -5.759 1.00 0.00 H new ATOM 731 N SER A 155 95.132 -6.015 0.414 1.00 0.00 N ATOM 732 CA SER A 155 94.559 -6.365 1.711 1.00 0.00 C ATOM 733 C SER A 155 95.634 -6.414 2.795 1.00 0.00 C ATOM 734 O SER A 155 95.586 -5.660 3.767 1.00 0.00 O ATOM 735 CB SER A 155 93.842 -7.712 1.627 1.00 0.00 C ATOM 736 OG SER A 155 94.739 -8.747 1.260 1.00 0.00 O ATOM 0 H SER A 155 94.882 -6.650 -0.344 1.00 0.00 H new ATOM 0 HA SER A 155 93.839 -5.591 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 155 93.387 -7.946 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 155 93.034 -7.652 0.898 1.00 0.00 H new ATOM 0 HG SER A 155 94.886 -9.340 2.027 1.00 0.00 H new ATOM 742 N GLU A 156 96.601 -7.311 2.624 1.00 0.00 N ATOM 743 CA GLU A 156 97.684 -7.463 3.590 1.00 0.00 C ATOM 744 C GLU A 156 98.613 -6.251 3.595 1.00 0.00 C ATOM 745 O GLU A 156 99.393 -6.066 4.529 1.00 0.00 O ATOM 746 CB GLU A 156 98.486 -8.731 3.287 1.00 0.00 C ATOM 747 CG GLU A 156 99.264 -9.257 4.482 1.00 0.00 C ATOM 748 CD GLU A 156 98.450 -10.209 5.336 1.00 0.00 C ATOM 749 OE1 GLU A 156 97.228 -9.985 5.472 1.00 0.00 O ATOM 750 OE2 GLU A 156 99.033 -11.175 5.869 1.00 0.00 O ATOM 0 H GLU A 156 96.657 -7.943 1.826 1.00 0.00 H new ATOM 0 HA GLU A 156 97.234 -7.543 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 156 97.805 -9.507 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 156 99.181 -8.526 2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 156 100.161 -9.767 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 156 99.594 -8.417 5.094 1.00 0.00 H new ATOM 757 N CYS A 157 98.534 -5.429 2.552 1.00 0.00 N ATOM 758 CA CYS A 157 99.380 -4.243 2.457 1.00 0.00 C ATOM 759 C CYS A 157 98.868 -3.122 3.356 1.00 0.00 C ATOM 760 O CYS A 157 99.626 -2.234 3.747 1.00 0.00 O ATOM 761 CB CYS A 157 99.459 -3.754 1.011 1.00 0.00 C ATOM 762 SG CYS A 157 100.852 -4.455 0.065 1.00 0.00 S ATOM 0 H CYS A 157 97.898 -5.561 1.766 1.00 0.00 H new ATOM 0 HA CYS A 157 100.378 -4.523 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 157 98.527 -4.002 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 157 99.543 -2.667 1.010 1.00 0.00 H new ATOM 767 N ARG A 158 97.579 -3.161 3.683 1.00 0.00 N ATOM 768 CA ARG A 158 96.986 -2.137 4.537 1.00 0.00 C ATOM 769 C ARG A 158 97.710 -2.059 5.878 1.00 0.00 C ATOM 770 O ARG A 158 97.943 -0.972 6.408 1.00 0.00 O ATOM 771 CB ARG A 158 95.495 -2.418 4.755 1.00 0.00 C ATOM 772 CG ARG A 158 95.214 -3.651 5.598 1.00 0.00 C ATOM 773 CD ARG A 158 95.036 -3.298 7.066 1.00 0.00 C ATOM 774 NE ARG A 158 94.828 -4.483 7.896 1.00 0.00 N ATOM 775 CZ ARG A 158 93.653 -5.092 8.041 1.00 0.00 C ATOM 776 NH1 ARG A 158 92.577 -4.634 7.412 1.00 0.00 N ATOM 777 NH2 ARG A 158 93.553 -6.161 8.818 1.00 0.00 N ATOM 0 H ARG A 158 96.930 -3.884 3.373 1.00 0.00 H new ATOM 0 HA ARG A 158 97.092 -1.176 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 158 95.039 -1.552 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 158 95.013 -2.536 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 158 94.315 -4.146 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 158 96.035 -4.360 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 158 95.916 -2.760 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 158 94.185 -2.625 7.176 1.00 0.00 H new ATOM 0 HE ARG A 158 95.631 -4.866 8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 158 92.648 -3.811 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 158 91.680 -5.105 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 158 94.376 -6.517 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 158 92.653 -6.628 8.930 1.00 0.00 H new ATOM 791 N SER A 159 98.068 -3.218 6.419 1.00 0.00 N ATOM 792 CA SER A 159 98.766 -3.283 7.700 1.00 0.00 C ATOM 793 C SER A 159 100.187 -2.744 7.577 1.00 0.00 C ATOM 794 O SER A 159 100.756 -2.241 8.547 1.00 0.00 O ATOM 795 CB SER A 159 98.797 -4.723 8.212 1.00 0.00 C ATOM 796 OG SER A 159 98.688 -4.765 9.623 1.00 0.00 O ATOM 0 H SER A 159 97.887 -4.126 5.991 1.00 0.00 H new ATOM 0 HA SER A 159 98.224 -2.661 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 159 97.980 -5.289 7.764 1.00 0.00 H new ATOM 0 HB3 SER A 159 99.725 -5.203 7.901 1.00 0.00 H new ATOM 0 HG SER A 159 98.709 -5.697 9.925 1.00 0.00 H new ATOM 802 N LEU A 160 100.759 -2.853 6.382 1.00 0.00 N ATOM 803 CA LEU A 160 102.115 -2.374 6.141 1.00 0.00 C ATOM 804 C LEU A 160 102.217 -0.866 6.363 1.00 0.00 C ATOM 805 O LEU A 160 103.309 -0.334 6.558 1.00 0.00 O ATOM 806 CB LEU A 160 102.560 -2.727 4.718 1.00 0.00 C ATOM 807 CG LEU A 160 103.493 -3.934 4.613 1.00 0.00 C ATOM 808 CD1 LEU A 160 102.701 -5.229 4.684 1.00 0.00 C ATOM 809 CD2 LEU A 160 104.302 -3.870 3.326 1.00 0.00 C ATOM 0 H LEU A 160 100.306 -3.268 5.568 1.00 0.00 H new ATOM 0 HA LEU A 160 102.775 -2.868 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 160 101.674 -2.918 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 160 103.061 -1.861 4.285 1.00 0.00 H new ATOM 0 HG LEU A 160 104.184 -3.910 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 160 103.382 -6.077 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 160 102.167 -5.277 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 160 101.985 -5.263 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 160 104.961 -4.736 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 160 103.626 -3.869 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 160 104.900 -2.958 3.317 1.00 0.00 H new ATOM 821 N ILE A 161 101.075 -0.181 6.337 1.00 0.00 N ATOM 822 CA ILE A 161 101.054 1.264 6.540 1.00 0.00 C ATOM 823 C ILE A 161 100.209 1.638 7.753 1.00 0.00 C ATOM 824 O ILE A 161 98.982 1.696 7.673 1.00 0.00 O ATOM 825 CB ILE A 161 100.506 1.999 5.301 1.00 0.00 C ATOM 826 CG1 ILE A 161 101.201 1.499 4.033 1.00 0.00 C ATOM 827 CG2 ILE A 161 100.683 3.501 5.454 1.00 0.00 C ATOM 828 CD1 ILE A 161 100.380 0.502 3.246 1.00 0.00 C ATOM 0 H ILE A 161 100.159 -0.601 6.178 1.00 0.00 H new ATOM 0 HA ILE A 161 102.085 1.573 6.710 1.00 0.00 H new ATOM 0 HB ILE A 161 99.440 1.787 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 161 101.431 2.352 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 161 102.151 1.040 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 161 100.291 4.005 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 161 100.143 3.843 6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 161 101.742 3.733 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 161 100.935 0.191 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 161 100.171 -0.369 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 161 99.441 0.964 2.942 1.00 0.00 H new ATOM 840 N GLN A 162 100.875 1.891 8.875 1.00 0.00 N ATOM 841 CA GLN A 162 100.186 2.257 10.107 1.00 0.00 C ATOM 842 C GLN A 162 100.320 3.751 10.387 1.00 0.00 C ATOM 843 O GLN A 162 100.266 4.183 11.537 1.00 0.00 O ATOM 844 CB GLN A 162 100.747 1.456 11.284 1.00 0.00 C ATOM 845 CG GLN A 162 100.357 -0.013 11.258 1.00 0.00 C ATOM 846 CD GLN A 162 101.162 -0.846 12.237 1.00 0.00 C ATOM 847 OE1 GLN A 162 102.354 -1.077 12.041 1.00 0.00 O ATOM 848 NE2 GLN A 162 100.508 -1.302 13.301 1.00 0.00 N ATOM 0 H GLN A 162 101.891 1.849 8.956 1.00 0.00 H new ATOM 0 HA GLN A 162 99.128 2.023 9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 162 101.834 1.535 11.282 1.00 0.00 H new ATOM 0 HB3 GLN A 162 100.397 1.900 12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 162 99.297 -0.108 11.491 1.00 0.00 H new ATOM 0 HG3 GLN A 162 100.498 -0.405 10.251 1.00 0.00 H new ATOM 0 HE21 GLN A 162 99.519 -1.085 13.423 1.00 0.00 H new ATOM 0 HE22 GLN A 162 100.996 -1.868 13.995 1.00 0.00 H new ATOM 857 N LEU A 163 100.497 4.536 9.328 1.00 0.00 N ATOM 858 CA LEU A 163 100.641 5.980 9.464 1.00 0.00 C ATOM 859 C LEU A 163 99.281 6.649 9.634 1.00 0.00 C ATOM 860 O LEU A 163 98.250 6.088 9.264 1.00 0.00 O ATOM 861 CB LEU A 163 101.363 6.560 8.246 1.00 0.00 C ATOM 862 CG LEU A 163 102.843 6.886 8.465 1.00 0.00 C ATOM 863 CD1 LEU A 163 103.585 5.666 8.986 1.00 0.00 C ATOM 864 CD2 LEU A 163 103.474 7.387 7.175 1.00 0.00 C ATOM 0 H LEU A 163 100.544 4.196 8.368 1.00 0.00 H new ATOM 0 HA LEU A 163 101.236 6.178 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 163 101.281 5.851 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 163 100.848 7.470 7.936 1.00 0.00 H new ATOM 0 HG LEU A 163 102.916 7.676 9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 163 104.635 5.916 9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 163 103.148 5.352 9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 163 103.505 4.855 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 163 104.526 7.614 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 163 103.391 6.618 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 163 102.958 8.288 6.844 1.00 0.00 H new ATOM 876 N ASP A 164 99.287 7.854 10.195 1.00 0.00 N ATOM 877 CA ASP A 164 98.054 8.602 10.415 1.00 0.00 C ATOM 878 C ASP A 164 97.637 9.343 9.150 1.00 0.00 C ATOM 879 O ASP A 164 98.400 9.433 8.188 1.00 0.00 O ATOM 880 CB ASP A 164 98.233 9.593 11.567 1.00 0.00 C ATOM 881 CG ASP A 164 98.818 8.942 12.804 1.00 0.00 C ATOM 882 OD1 ASP A 164 98.302 7.882 13.219 1.00 0.00 O ATOM 883 OD2 ASP A 164 99.793 9.492 13.359 1.00 0.00 O ATOM 0 H ASP A 164 100.132 8.333 10.506 1.00 0.00 H new ATOM 0 HA ASP A 164 97.268 7.893 10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 164 98.884 10.406 11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 164 97.268 10.036 11.815 1.00 0.00 H new ATOM 888 N CYS A 165 96.418 9.876 9.158 1.00 0.00 N ATOM 889 CA CYS A 165 95.899 10.611 8.010 1.00 0.00 C ATOM 890 C CYS A 165 96.573 11.973 7.885 1.00 0.00 C ATOM 891 O CYS A 165 96.262 12.902 8.631 1.00 0.00 O ATOM 892 CB CYS A 165 94.385 10.786 8.134 1.00 0.00 C ATOM 893 SG CYS A 165 93.437 9.253 7.875 1.00 0.00 S ATOM 0 H CYS A 165 95.773 9.812 9.946 1.00 0.00 H new ATOM 0 HA CYS A 165 96.119 10.035 7.111 1.00 0.00 H new ATOM 0 HB2 CYS A 165 94.155 11.180 9.124 1.00 0.00 H new ATOM 0 HB3 CYS A 165 94.055 11.531 7.410 1.00 0.00 H new ATOM 898 N ARG A 166 97.496 12.084 6.937 1.00 0.00 N ATOM 899 CA ARG A 166 98.215 13.333 6.711 1.00 0.00 C ATOM 900 C ARG A 166 97.413 14.267 5.810 1.00 0.00 C ATOM 901 O ARG A 166 97.225 15.437 6.137 1.00 0.00 O ATOM 902 CB ARG A 166 99.583 13.054 6.086 1.00 0.00 C ATOM 903 CG ARG A 166 100.585 12.454 7.060 1.00 0.00 C ATOM 904 CD ARG A 166 101.580 11.551 6.348 1.00 0.00 C ATOM 905 NE ARG A 166 102.481 10.884 7.286 1.00 0.00 N ATOM 906 CZ ARG A 166 103.536 11.471 7.844 1.00 0.00 C ATOM 907 NH1 ARG A 166 103.829 12.733 7.563 1.00 0.00 N ATOM 908 NH2 ARG A 166 104.304 10.791 8.687 1.00 0.00 N ATOM 0 H ARG A 166 97.765 11.324 6.312 1.00 0.00 H new ATOM 0 HA ARG A 166 98.357 13.820 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 166 99.457 12.375 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 166 99.988 13.984 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 166 101.120 13.254 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 166 100.056 11.884 7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 166 101.040 10.802 5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 166 102.164 12.141 5.641 1.00 0.00 H new ATOM 0 HE ARG A 166 102.289 9.911 7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 166 103.244 13.260 6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 166 104.640 13.177 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 166 104.085 9.819 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 166 105.113 11.240 9.115 1.00 0.00 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.433 -4.166 -2.181 1.00 0.00 ZN HETATM 924 ZN ZN A 2 94.248 8.191 6.001 1.00 0.00 ZN