USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= -2.58! USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 ASN : amide:sc= -2.68 K(o=-3.4,f=-5.4!) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.41 K(o=-3.4,f=-5.3!) USER MOD Set 2.3: A 64 THR OG1 : rot 180:sc= 0.714 USER MOD Set 3.1: A 2 SER OG : rot 9:sc= 0.703 USER MOD Set 3.2: A 5 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.89 K(o=-1.9,f=-5.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.141 (180deg=-0.668) USER MOD Single : A 53 GLN : amide:sc= -2.25 K(o=-2.2,f=-3.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 162:sc= -0.0209 (180deg=-0.621) USER MOD Single : A 74 SER OG : rot 120:sc= -0.987 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.0254 (180deg=-0.293) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.828 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.594 K(o=-0.59,f=-5.5!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 43:sc= 1.28 USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00617) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.331 2.290 -1.216 1.00 0.00 N ATOM 19 CA SER A 2 3.099 3.529 -1.193 1.00 0.00 C ATOM 20 C SER A 2 2.389 4.593 -0.362 1.00 0.00 C ATOM 21 O SER A 2 1.320 5.077 -0.735 1.00 0.00 O ATOM 22 CB SER A 2 3.322 4.042 -2.617 1.00 0.00 C ATOM 23 OG SER A 2 3.162 3.001 -3.565 1.00 0.00 O ATOM 0 HA SER A 2 4.065 3.320 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.617 4.845 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.323 4.465 -2.702 1.00 0.00 H new ATOM 0 HG SER A 2 2.796 2.208 -3.121 1.00 0.00 H new ATOM 29 N VAL A 3 2.990 4.953 0.767 1.00 0.00 N ATOM 30 CA VAL A 3 2.417 5.960 1.652 1.00 0.00 C ATOM 31 C VAL A 3 2.133 7.255 0.899 1.00 0.00 C ATOM 32 O VAL A 3 1.157 7.947 1.183 1.00 0.00 O ATOM 33 CB VAL A 3 3.352 6.263 2.838 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.784 7.385 3.693 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.580 5.010 3.670 1.00 0.00 C ATOM 0 H VAL A 3 3.875 4.562 1.091 1.00 0.00 H new ATOM 0 HA VAL A 3 1.481 5.551 2.033 1.00 0.00 H new ATOM 0 HB VAL A 3 4.315 6.590 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.458 7.585 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.678 8.285 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.808 7.090 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.243 5.242 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.626 4.650 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.035 4.239 3.049 1.00 0.00 H new ATOM 45 N GLU A 4 2.994 7.575 -0.063 1.00 0.00 N ATOM 46 CA GLU A 4 2.835 8.787 -0.857 1.00 0.00 C ATOM 47 C GLU A 4 1.532 8.750 -1.651 1.00 0.00 C ATOM 48 O GLU A 4 0.843 9.762 -1.783 1.00 0.00 O ATOM 49 CB GLU A 4 4.021 8.960 -1.808 1.00 0.00 C ATOM 50 CG GLU A 4 5.324 9.293 -1.101 1.00 0.00 C ATOM 51 CD GLU A 4 5.939 8.088 -0.415 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.751 6.960 -0.917 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.609 8.274 0.622 1.00 0.00 O ATOM 0 H GLU A 4 3.808 7.012 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 4 2.800 9.636 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.153 8.043 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.792 9.752 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.033 9.696 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.143 10.074 -0.363 1.00 0.00 H new ATOM 60 N THR A 5 1.202 7.576 -2.180 1.00 0.00 N ATOM 61 CA THR A 5 -0.015 7.406 -2.964 1.00 0.00 C ATOM 62 C THR A 5 -1.256 7.561 -2.092 1.00 0.00 C ATOM 63 O THR A 5 -2.371 7.690 -2.599 1.00 0.00 O ATOM 64 CB THR A 5 -0.054 6.028 -3.651 1.00 0.00 C ATOM 65 OG1 THR A 5 1.175 5.794 -4.348 1.00 0.00 O ATOM 66 CG2 THR A 5 -1.219 5.941 -4.624 1.00 0.00 C ATOM 0 H THR A 5 1.761 6.729 -2.080 1.00 0.00 H new ATOM 0 HA THR A 5 -0.010 8.184 -3.727 1.00 0.00 H new ATOM 0 HB THR A 5 -0.186 5.267 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.143 4.915 -4.781 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.226 4.959 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.155 6.091 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.113 6.711 -5.388 1.00 0.00 H new ATOM 74 N ILE A 6 -1.056 7.549 -0.778 1.00 0.00 N ATOM 75 CA ILE A 6 -2.159 7.690 0.164 1.00 0.00 C ATOM 76 C ILE A 6 -2.488 9.159 0.410 1.00 0.00 C ATOM 77 O ILE A 6 -3.627 9.589 0.229 1.00 0.00 O ATOM 78 CB ILE A 6 -1.840 7.015 1.510 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.994 5.759 1.288 1.00 0.00 C ATOM 80 CG2 ILE A 6 -3.125 6.671 2.248 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.631 4.760 0.347 1.00 0.00 C ATOM 0 H ILE A 6 -0.140 7.443 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.021 7.197 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.268 7.712 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.022 6.051 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.814 5.277 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.883 6.194 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.693 7.583 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.721 5.989 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.976 3.896 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.591 4.439 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.786 5.225 -0.627 1.00 0.00 H new ATOM 93 N ILE A 7 -1.482 9.923 0.821 1.00 0.00 N ATOM 94 CA ILE A 7 -1.664 11.345 1.089 1.00 0.00 C ATOM 95 C ILE A 7 -2.188 12.074 -0.144 1.00 0.00 C ATOM 96 O ILE A 7 -2.948 13.034 -0.031 1.00 0.00 O ATOM 97 CB ILE A 7 -0.348 12.005 1.541 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.075 11.466 2.909 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.502 13.518 1.586 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.900 11.798 4.017 1.00 0.00 C ATOM 0 H ILE A 7 -0.533 9.582 0.976 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.396 11.424 1.893 1.00 0.00 H new ATOM 0 HB ILE A 7 0.431 11.760 0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.186 10.383 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.054 11.872 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.436 13.970 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.762 13.887 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.292 13.783 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.536 11.385 4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.993 12.880 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.875 11.369 3.785 1.00 0.00 H new ATOM 112 N GLU A 8 -1.777 11.608 -1.319 1.00 0.00 N ATOM 113 CA GLU A 8 -2.207 12.216 -2.573 1.00 0.00 C ATOM 114 C GLU A 8 -3.718 12.427 -2.586 1.00 0.00 C ATOM 115 O GLU A 8 -4.203 13.501 -2.942 1.00 0.00 O ATOM 116 CB GLU A 8 -1.792 11.341 -3.758 1.00 0.00 C ATOM 117 CG GLU A 8 -1.467 12.132 -5.014 1.00 0.00 C ATOM 118 CD GLU A 8 -2.703 12.711 -5.676 1.00 0.00 C ATOM 119 OE1 GLU A 8 -3.746 12.024 -5.686 1.00 0.00 O ATOM 120 OE2 GLU A 8 -2.628 13.849 -6.183 1.00 0.00 O ATOM 0 H GLU A 8 -1.148 10.813 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.722 13.188 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.921 10.750 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.595 10.638 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.782 12.941 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.949 11.485 -5.722 1.00 0.00 H new ATOM 127 N ARG A 9 -4.457 11.393 -2.196 1.00 0.00 N ATOM 128 CA ARG A 9 -5.912 11.463 -2.164 1.00 0.00 C ATOM 129 C ARG A 9 -6.385 12.479 -1.127 1.00 0.00 C ATOM 130 O ARG A 9 -7.422 13.119 -1.300 1.00 0.00 O ATOM 131 CB ARG A 9 -6.504 10.087 -1.852 1.00 0.00 C ATOM 132 CG ARG A 9 -6.664 9.202 -3.077 1.00 0.00 C ATOM 133 CD ARG A 9 -7.213 7.833 -2.706 1.00 0.00 C ATOM 134 NE ARG A 9 -8.420 7.930 -1.890 1.00 0.00 N ATOM 135 CZ ARG A 9 -9.607 8.284 -2.371 1.00 0.00 C ATOM 136 NH1 ARG A 9 -9.745 8.571 -3.658 1.00 0.00 N ATOM 137 NH2 ARG A 9 -10.658 8.349 -1.564 1.00 0.00 N ATOM 0 H ARG A 9 -4.071 10.497 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.257 11.785 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.864 9.581 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.477 10.218 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.334 9.683 -3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.700 9.087 -3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.434 7.273 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.452 7.272 -2.163 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.348 7.714 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.939 8.520 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.657 8.842 -4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.555 8.127 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.569 8.621 -1.934 1.00 0.00 H new ATOM 151 N ILE A 10 -5.618 12.619 -0.051 1.00 0.00 N ATOM 152 CA ILE A 10 -5.959 13.556 1.012 1.00 0.00 C ATOM 153 C ILE A 10 -5.789 14.999 0.548 1.00 0.00 C ATOM 154 O ILE A 10 -6.725 15.796 0.607 1.00 0.00 O ATOM 155 CB ILE A 10 -5.092 13.326 2.264 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.388 11.952 2.870 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.337 14.425 3.287 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.406 11.542 3.945 1.00 0.00 C ATOM 0 H ILE A 10 -4.757 12.096 0.108 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.004 13.379 1.266 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.042 13.356 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.393 11.958 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.379 11.204 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.717 14.249 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.082 15.391 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.388 14.424 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.677 10.559 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.401 11.503 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.431 12.269 4.757 1.00 0.00 H new ATOM 170 N LYS A 11 -4.588 15.328 0.084 1.00 0.00 N ATOM 171 CA LYS A 11 -4.294 16.674 -0.394 1.00 0.00 C ATOM 172 C LYS A 11 -5.145 17.016 -1.612 1.00 0.00 C ATOM 173 O LYS A 11 -5.718 18.102 -1.696 1.00 0.00 O ATOM 174 CB LYS A 11 -2.809 16.800 -0.743 1.00 0.00 C ATOM 175 CG LYS A 11 -1.888 16.152 0.276 1.00 0.00 C ATOM 176 CD LYS A 11 -0.426 16.412 -0.050 1.00 0.00 C ATOM 177 CE LYS A 11 -0.124 17.902 -0.105 1.00 0.00 C ATOM 178 NZ LYS A 11 0.182 18.354 -1.490 1.00 0.00 N ATOM 0 H LYS A 11 -3.802 14.680 0.029 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.534 17.377 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.634 16.347 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.553 17.856 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.114 16.538 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.071 15.078 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.205 15.939 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.178 15.954 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.978 18.460 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.722 18.126 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.382 19.375 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.012 17.840 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.634 18.164 -2.106 1.00 0.00 H new ATOM 192 N ALA A 12 -5.223 16.082 -2.555 1.00 0.00 N ATOM 193 CA ALA A 12 -6.006 16.284 -3.767 1.00 0.00 C ATOM 194 C ALA A 12 -7.428 16.725 -3.435 1.00 0.00 C ATOM 195 O ALA A 12 -7.983 17.608 -4.089 1.00 0.00 O ATOM 196 CB ALA A 12 -6.027 15.012 -4.601 1.00 0.00 C ATOM 0 H ALA A 12 -4.753 15.178 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.533 17.077 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.616 15.178 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.008 14.741 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.472 14.204 -4.021 1.00 0.00 H new ATOM 202 N ARG A 13 -8.012 16.103 -2.417 1.00 0.00 N ATOM 203 CA ARG A 13 -9.370 16.430 -1.999 1.00 0.00 C ATOM 204 C ARG A 13 -9.384 17.679 -1.124 1.00 0.00 C ATOM 205 O ARG A 13 -10.289 18.509 -1.221 1.00 0.00 O ATOM 206 CB ARG A 13 -9.990 15.255 -1.240 1.00 0.00 C ATOM 207 CG ARG A 13 -11.387 15.539 -0.714 1.00 0.00 C ATOM 208 CD ARG A 13 -12.371 15.783 -1.847 1.00 0.00 C ATOM 209 NE ARG A 13 -13.603 15.018 -1.677 1.00 0.00 N ATOM 210 CZ ARG A 13 -13.679 13.701 -1.839 1.00 0.00 C ATOM 211 NH1 ARG A 13 -12.599 13.008 -2.173 1.00 0.00 N ATOM 212 NH2 ARG A 13 -14.836 13.076 -1.667 1.00 0.00 N ATOM 0 H ARG A 13 -7.566 15.369 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.961 16.628 -2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.028 14.388 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.343 14.992 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.727 14.698 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.360 16.411 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.608 16.846 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.906 15.514 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.452 15.522 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.708 13.486 -2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.660 11.997 -2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.669 13.606 -1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.893 12.065 -1.792 1.00 0.00 H new ATOM 226 N VAL A 14 -8.376 17.806 -0.267 1.00 0.00 N ATOM 227 CA VAL A 14 -8.271 18.954 0.626 1.00 0.00 C ATOM 228 C VAL A 14 -8.311 20.263 -0.155 1.00 0.00 C ATOM 229 O VAL A 14 -8.872 21.256 0.306 1.00 0.00 O ATOM 230 CB VAL A 14 -6.975 18.903 1.456 1.00 0.00 C ATOM 231 CG1 VAL A 14 -6.691 20.258 2.086 1.00 0.00 C ATOM 232 CG2 VAL A 14 -7.066 17.820 2.520 1.00 0.00 C ATOM 0 H VAL A 14 -7.620 17.128 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.127 18.910 1.300 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.147 18.658 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.771 20.203 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.580 21.007 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.518 20.536 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.141 17.798 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.904 18.032 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.218 16.852 2.042 1.00 0.00 H new ATOM 242 N GLY A 15 -7.712 20.256 -1.342 1.00 0.00 N ATOM 243 CA GLY A 15 -7.691 21.449 -2.169 1.00 0.00 C ATOM 244 C GLY A 15 -9.046 21.761 -2.771 1.00 0.00 C ATOM 245 O GLY A 15 -9.230 22.806 -3.395 1.00 0.00 O ATOM 0 H GLY A 15 -7.241 19.446 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.359 22.297 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.962 21.320 -2.969 1.00 0.00 H new ATOM 249 N ALA A 16 -9.998 20.853 -2.585 1.00 0.00 N ATOM 250 CA ALA A 16 -11.344 21.037 -3.114 1.00 0.00 C ATOM 251 C ALA A 16 -12.375 21.073 -1.991 1.00 0.00 C ATOM 252 O ALA A 16 -13.412 21.726 -2.108 1.00 0.00 O ATOM 253 CB ALA A 16 -11.678 19.930 -4.104 1.00 0.00 C ATOM 0 H ALA A 16 -9.862 19.982 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.376 21.995 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.686 20.080 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.966 19.952 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.622 18.964 -3.602 1.00 0.00 H new ATOM 398 N LEU A 26 -12.162 22.969 13.857 1.00 0.00 N ATOM 399 CA LEU A 26 -11.047 23.699 13.264 1.00 0.00 C ATOM 400 C LEU A 26 -9.768 23.486 14.068 1.00 0.00 C ATOM 401 O LEU A 26 -9.730 23.739 15.271 1.00 0.00 O ATOM 402 CB LEU A 26 -11.371 25.191 13.186 1.00 0.00 C ATOM 403 CG LEU A 26 -11.228 25.978 14.490 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.513 27.453 14.257 1.00 0.00 C ATOM 405 CD2 LEU A 26 -12.154 25.415 15.558 1.00 0.00 C ATOM 0 HA LEU A 26 -10.889 23.315 12.256 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.721 25.645 12.438 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.395 25.302 12.828 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.201 25.879 14.841 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.406 27.997 15.196 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.808 27.849 13.526 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.529 27.572 13.882 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.038 25.987 16.478 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.187 25.482 15.216 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.901 24.371 15.746 1.00 0.00 H new ATOM 417 N GLY A 27 -8.721 23.020 13.393 1.00 0.00 N ATOM 418 CA GLY A 27 -7.454 22.783 14.060 1.00 0.00 C ATOM 419 C GLY A 27 -6.506 21.947 13.223 1.00 0.00 C ATOM 420 O GLY A 27 -6.524 22.018 11.994 1.00 0.00 O ATOM 0 H GLY A 27 -8.728 22.803 12.396 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.984 23.739 14.290 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.635 22.280 15.010 1.00 0.00 H new ATOM 424 N VAL A 28 -5.674 21.154 13.890 1.00 0.00 N ATOM 425 CA VAL A 28 -4.713 20.301 13.200 1.00 0.00 C ATOM 426 C VAL A 28 -4.734 18.884 13.761 1.00 0.00 C ATOM 427 O VAL A 28 -4.962 18.680 14.954 1.00 0.00 O ATOM 428 CB VAL A 28 -3.284 20.864 13.309 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.368 20.197 12.293 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.290 22.374 13.122 1.00 0.00 C ATOM 0 H VAL A 28 -5.646 21.084 14.907 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.007 20.277 12.151 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.902 20.646 14.306 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.362 20.608 12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.340 19.123 12.478 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.745 20.382 11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.272 22.755 13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.692 22.617 12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.911 22.833 13.891 1.00 0.00 H new ATOM 440 N PHE A 29 -4.493 17.906 12.894 1.00 0.00 N ATOM 441 CA PHE A 29 -4.485 16.506 13.303 1.00 0.00 C ATOM 442 C PHE A 29 -3.144 15.854 12.979 1.00 0.00 C ATOM 443 O PHE A 29 -2.486 16.216 12.004 1.00 0.00 O ATOM 444 CB PHE A 29 -5.617 15.744 12.611 1.00 0.00 C ATOM 445 CG PHE A 29 -6.856 15.620 13.450 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.376 16.723 14.109 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.502 14.401 13.579 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.517 16.612 14.881 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.644 14.285 14.350 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.151 15.392 15.003 1.00 0.00 C ATOM 0 H PHE A 29 -4.301 18.057 11.904 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.637 16.467 14.382 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.868 16.250 11.679 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.265 14.747 12.347 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.884 17.680 14.018 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.109 13.532 13.072 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.912 17.479 15.389 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.139 13.330 14.442 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.041 15.303 15.608 1.00 0.00 H new ATOM 460 N GLN A 30 -2.747 14.890 13.804 1.00 0.00 N ATOM 461 CA GLN A 30 -1.485 14.187 13.606 1.00 0.00 C ATOM 462 C GLN A 30 -1.727 12.730 13.226 1.00 0.00 C ATOM 463 O GLN A 30 -2.058 11.903 14.076 1.00 0.00 O ATOM 464 CB GLN A 30 -0.632 14.261 14.873 1.00 0.00 C ATOM 465 CG GLN A 30 0.809 13.825 14.663 1.00 0.00 C ATOM 466 CD GLN A 30 1.417 14.406 13.402 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.152 15.554 13.043 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.238 13.615 12.721 1.00 0.00 N ATOM 0 H GLN A 30 -3.281 14.578 14.615 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.952 14.673 12.789 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.642 15.284 15.248 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.084 13.635 15.642 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.406 14.129 15.523 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.852 12.737 14.614 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.430 12.670 13.055 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.677 13.952 11.864 1.00 0.00 H new ATOM 477 N LEU A 31 -1.561 12.423 11.944 1.00 0.00 N ATOM 478 CA LEU A 31 -1.762 11.065 11.451 1.00 0.00 C ATOM 479 C LEU A 31 -0.456 10.278 11.476 1.00 0.00 C ATOM 480 O LEU A 31 0.623 10.841 11.300 1.00 0.00 O ATOM 481 CB LEU A 31 -2.324 11.096 10.029 1.00 0.00 C ATOM 482 CG LEU A 31 -3.790 11.511 9.895 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.987 12.386 8.667 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.688 10.284 9.829 1.00 0.00 C ATOM 0 H LEU A 31 -1.288 13.096 11.228 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.477 10.569 12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.718 11.780 9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.207 10.104 9.592 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.066 12.091 10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.036 12.671 8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.373 13.282 8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.694 11.833 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.727 10.598 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.412 9.677 8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.569 9.696 10.739 1.00 0.00 H new ATOM 496 N ASN A 32 -0.563 8.971 11.695 1.00 0.00 N ATOM 497 CA ASN A 32 0.610 8.105 11.742 1.00 0.00 C ATOM 498 C ASN A 32 0.333 6.776 11.047 1.00 0.00 C ATOM 499 O ASN A 32 -0.617 6.071 11.389 1.00 0.00 O ATOM 500 CB ASN A 32 1.030 7.858 13.192 1.00 0.00 C ATOM 501 CG ASN A 32 0.780 9.062 14.079 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.168 10.183 13.748 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.130 8.835 15.215 1.00 0.00 N ATOM 0 H ASN A 32 -1.450 8.489 11.843 1.00 0.00 H new ATOM 0 HA ASN A 32 1.422 8.607 11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.483 7.001 13.585 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.089 7.602 13.222 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.066 9.606 15.853 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.173 7.890 15.449 1.00 0.00 H new ATOM 510 N ILE A 33 1.169 6.439 10.070 1.00 0.00 N ATOM 511 CA ILE A 33 1.015 5.194 9.329 1.00 0.00 C ATOM 512 C ILE A 33 1.911 4.100 9.900 1.00 0.00 C ATOM 513 O ILE A 33 3.126 4.111 9.702 1.00 0.00 O ATOM 514 CB ILE A 33 1.343 5.383 7.836 1.00 0.00 C ATOM 515 CG1 ILE A 33 0.920 6.778 7.372 1.00 0.00 C ATOM 516 CG2 ILE A 33 0.656 4.311 7.003 1.00 0.00 C ATOM 517 CD1 ILE A 33 -0.562 7.040 7.516 1.00 0.00 C ATOM 0 H ILE A 33 1.960 7.011 9.774 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.028 4.895 9.428 1.00 0.00 H new ATOM 0 HB ILE A 33 2.420 5.286 7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.470 7.525 7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.203 6.906 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.897 4.458 5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.001 3.327 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.423 4.379 7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.789 8.048 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.119 6.316 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.848 6.945 8.563 1.00 0.00 H new ATOM 529 N LYS A 34 1.303 3.154 10.608 1.00 0.00 N ATOM 530 CA LYS A 34 2.043 2.049 11.206 1.00 0.00 C ATOM 531 C LYS A 34 2.504 1.062 10.138 1.00 0.00 C ATOM 532 O LYS A 34 1.735 0.213 9.689 1.00 0.00 O ATOM 533 CB LYS A 34 1.177 1.329 12.241 1.00 0.00 C ATOM 534 CG LYS A 34 1.706 1.441 13.661 1.00 0.00 C ATOM 535 CD LYS A 34 0.694 0.937 14.675 1.00 0.00 C ATOM 536 CE LYS A 34 0.444 -0.555 14.518 1.00 0.00 C ATOM 537 NZ LYS A 34 -0.668 -1.026 15.389 1.00 0.00 N ATOM 0 H LYS A 34 0.298 3.131 10.782 1.00 0.00 H new ATOM 0 HA LYS A 34 2.923 2.460 11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.167 1.738 12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.104 0.275 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.629 0.869 13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.952 2.481 13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.054 1.143 15.683 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.244 1.479 14.555 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.208 -0.776 13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.354 -1.103 14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.807 -2.048 15.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.433 -0.838 16.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.542 -0.521 15.139 1.00 0.00 H new ATOM 551 N THR A 35 3.766 1.179 9.736 1.00 0.00 N ATOM 552 CA THR A 35 4.330 0.297 8.722 1.00 0.00 C ATOM 553 C THR A 35 5.367 -0.643 9.326 1.00 0.00 C ATOM 554 O THR A 35 5.843 -0.425 10.440 1.00 0.00 O ATOM 555 CB THR A 35 4.983 1.099 7.581 1.00 0.00 C ATOM 556 OG1 THR A 35 5.545 0.205 6.613 1.00 0.00 O ATOM 557 CG2 THR A 35 6.068 2.020 8.118 1.00 0.00 C ATOM 0 H THR A 35 4.417 1.876 10.098 1.00 0.00 H new ATOM 0 HA THR A 35 3.505 -0.289 8.318 1.00 0.00 H new ATOM 0 HB THR A 35 4.213 1.709 7.108 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.957 0.723 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.514 2.576 7.293 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.632 2.718 8.832 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.836 1.427 8.614 1.00 0.00 H new ATOM 565 N ALA A 36 5.715 -1.689 8.583 1.00 0.00 N ATOM 566 CA ALA A 36 6.698 -2.661 9.045 1.00 0.00 C ATOM 567 C ALA A 36 8.066 -2.012 9.230 1.00 0.00 C ATOM 568 O ALA A 36 8.893 -2.494 10.004 1.00 0.00 O ATOM 569 CB ALA A 36 6.791 -3.823 8.067 1.00 0.00 C ATOM 0 H ALA A 36 5.331 -1.885 7.659 1.00 0.00 H new ATOM 0 HA ALA A 36 6.371 -3.040 10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.529 -4.541 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.819 -4.310 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.092 -3.451 7.088 1.00 0.00 H new ATOM 575 N SER A 37 8.298 -0.916 8.514 1.00 0.00 N ATOM 576 CA SER A 37 9.568 -0.204 8.596 1.00 0.00 C ATOM 577 C SER A 37 9.563 0.783 9.760 1.00 0.00 C ATOM 578 O SER A 37 10.610 1.283 10.169 1.00 0.00 O ATOM 579 CB SER A 37 9.848 0.535 7.287 1.00 0.00 C ATOM 580 OG SER A 37 9.318 -0.171 6.178 1.00 0.00 O ATOM 0 H SER A 37 7.623 -0.502 7.871 1.00 0.00 H new ATOM 0 HA SER A 37 10.357 -0.937 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.412 1.533 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.923 0.662 7.161 1.00 0.00 H new ATOM 0 HG SER A 37 9.509 0.323 5.354 1.00 0.00 H new ATOM 586 N GLY A 38 8.374 1.058 10.289 1.00 0.00 N ATOM 587 CA GLY A 38 8.254 1.984 11.400 1.00 0.00 C ATOM 588 C GLY A 38 6.899 2.662 11.445 1.00 0.00 C ATOM 589 O GLY A 38 5.863 1.997 11.428 1.00 0.00 O ATOM 0 H GLY A 38 7.493 0.656 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.420 1.449 12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.034 2.742 11.323 1.00 0.00 H new ATOM 593 N VAL A 39 6.904 3.990 11.505 1.00 0.00 N ATOM 594 CA VAL A 39 5.666 4.759 11.554 1.00 0.00 C ATOM 595 C VAL A 39 5.818 6.091 10.828 1.00 0.00 C ATOM 596 O VAL A 39 6.588 6.953 11.249 1.00 0.00 O ATOM 597 CB VAL A 39 5.227 5.024 13.006 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.201 6.145 13.057 1.00 0.00 C ATOM 599 CG2 VAL A 39 4.674 3.754 13.635 1.00 0.00 C ATOM 0 H VAL A 39 7.752 4.556 11.521 1.00 0.00 H new ATOM 0 HA VAL A 39 4.902 4.162 11.055 1.00 0.00 H new ATOM 0 HB VAL A 39 6.099 5.336 13.580 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.902 6.318 14.091 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.637 7.056 12.648 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.327 5.865 12.469 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.369 3.959 14.661 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.813 3.409 13.062 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.444 2.982 13.633 1.00 0.00 H new ATOM 609 N GLU A 40 5.076 6.252 9.737 1.00 0.00 N ATOM 610 CA GLU A 40 5.128 7.481 8.953 1.00 0.00 C ATOM 611 C GLU A 40 4.171 8.527 9.517 1.00 0.00 C ATOM 612 O GLU A 40 2.953 8.371 9.444 1.00 0.00 O ATOM 613 CB GLU A 40 4.783 7.193 7.490 1.00 0.00 C ATOM 614 CG GLU A 40 5.996 6.888 6.627 1.00 0.00 C ATOM 615 CD GLU A 40 5.827 7.359 5.196 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.049 6.546 4.275 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.474 8.540 4.997 1.00 0.00 O ATOM 0 H GLU A 40 4.432 5.548 9.376 1.00 0.00 H new ATOM 0 HA GLU A 40 6.143 7.875 9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.096 6.348 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.258 8.053 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.875 7.365 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.180 5.814 6.633 1.00 0.00 H new ATOM 624 N GLN A 41 4.733 9.592 10.079 1.00 0.00 N ATOM 625 CA GLN A 41 3.930 10.663 10.657 1.00 0.00 C ATOM 626 C GLN A 41 3.530 11.679 9.591 1.00 0.00 C ATOM 627 O GLN A 41 4.293 11.954 8.665 1.00 0.00 O ATOM 628 CB GLN A 41 4.702 11.360 11.778 1.00 0.00 C ATOM 629 CG GLN A 41 5.225 10.407 12.840 1.00 0.00 C ATOM 630 CD GLN A 41 4.591 10.640 14.198 1.00 0.00 C ATOM 631 OE1 GLN A 41 4.863 11.643 14.858 1.00 0.00 O ATOM 632 NE2 GLN A 41 3.741 9.713 14.621 1.00 0.00 N ATOM 0 H GLN A 41 5.740 9.736 10.146 1.00 0.00 H new ATOM 0 HA GLN A 41 3.024 10.221 11.070 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.541 11.905 11.346 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.053 12.097 12.251 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.036 9.380 12.526 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.306 10.520 12.924 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.545 8.898 14.040 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.283 9.816 15.527 1.00 0.00 H new ATOM 641 N TRP A 42 2.330 12.231 9.729 1.00 0.00 N ATOM 642 CA TRP A 42 1.829 13.217 8.777 1.00 0.00 C ATOM 643 C TRP A 42 1.045 14.313 9.490 1.00 0.00 C ATOM 644 O TRP A 42 0.398 14.064 10.508 1.00 0.00 O ATOM 645 CB TRP A 42 0.944 12.539 7.729 1.00 0.00 C ATOM 646 CG TRP A 42 1.723 11.857 6.646 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.035 10.529 6.573 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.290 12.469 5.482 1.00 0.00 C ATOM 649 NE1 TRP A 42 2.761 10.279 5.434 1.00 0.00 N ATOM 650 CE2 TRP A 42 2.930 11.452 4.747 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.316 13.775 4.988 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.590 11.704 3.547 1.00 0.00 C ATOM 653 CZ3 TRP A 42 2.972 14.024 3.797 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.601 12.993 3.087 1.00 0.00 C ATOM 0 H TRP A 42 1.686 12.013 10.490 1.00 0.00 H new ATOM 0 HA TRP A 42 2.685 13.674 8.280 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.304 11.807 8.222 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.288 13.285 7.280 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.752 9.785 7.303 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.117 9.367 5.146 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.832 14.576 5.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.076 10.910 2.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.000 15.031 3.407 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.104 13.220 2.159 1.00 0.00 H new ATOM 665 N ILE A 43 1.108 15.525 8.951 1.00 0.00 N ATOM 666 CA ILE A 43 0.402 16.659 9.536 1.00 0.00 C ATOM 667 C ILE A 43 -0.714 17.145 8.618 1.00 0.00 C ATOM 668 O ILE A 43 -0.517 17.303 7.413 1.00 0.00 O ATOM 669 CB ILE A 43 1.360 17.829 9.826 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.490 17.375 10.752 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.601 18.995 10.442 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.848 17.912 10.357 1.00 0.00 C ATOM 0 H ILE A 43 1.641 15.748 8.110 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.029 16.312 10.475 1.00 0.00 H new ATOM 0 HB ILE A 43 1.798 18.161 8.885 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.265 17.693 11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.527 16.286 10.759 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.292 19.814 10.641 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.172 19.332 9.751 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.138 18.675 11.376 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.600 17.550 11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.095 17.572 9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.828 19.002 10.377 1.00 0.00 H new ATOM 684 N VAL A 44 -1.887 17.384 9.196 1.00 0.00 N ATOM 685 CA VAL A 44 -3.034 17.856 8.430 1.00 0.00 C ATOM 686 C VAL A 44 -3.768 18.969 9.170 1.00 0.00 C ATOM 687 O VAL A 44 -4.010 18.874 10.373 1.00 0.00 O ATOM 688 CB VAL A 44 -4.022 16.711 8.136 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.951 16.490 9.320 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.817 17.005 6.873 1.00 0.00 C ATOM 0 H VAL A 44 -2.068 17.258 10.192 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.648 18.244 7.487 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.453 15.796 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.642 15.678 9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.363 16.232 10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.515 17.402 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.510 16.186 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.377 17.931 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.135 17.109 6.029 1.00 0.00 H new ATOM 700 N ASP A 45 -4.121 20.023 8.442 1.00 0.00 N ATOM 701 CA ASP A 45 -4.830 21.154 9.029 1.00 0.00 C ATOM 702 C ASP A 45 -6.284 21.181 8.570 1.00 0.00 C ATOM 703 O ASP A 45 -6.568 21.219 7.372 1.00 0.00 O ATOM 704 CB ASP A 45 -4.139 22.466 8.653 1.00 0.00 C ATOM 705 CG ASP A 45 -4.235 23.506 9.752 1.00 0.00 C ATOM 706 OD1 ASP A 45 -5.368 23.814 10.180 1.00 0.00 O ATOM 707 OD2 ASP A 45 -3.179 24.012 10.184 1.00 0.00 O ATOM 0 H ASP A 45 -3.928 20.118 7.445 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.812 21.040 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.090 22.270 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.588 22.862 7.742 1.00 0.00 H new ATOM 712 N LEU A 46 -7.202 21.161 9.530 1.00 0.00 N ATOM 713 CA LEU A 46 -8.629 21.182 9.225 1.00 0.00 C ATOM 714 C LEU A 46 -9.072 22.575 8.788 1.00 0.00 C ATOM 715 O LEU A 46 -9.695 22.740 7.740 1.00 0.00 O ATOM 716 CB LEU A 46 -9.438 20.737 10.445 1.00 0.00 C ATOM 717 CG LEU A 46 -9.321 19.261 10.825 1.00 0.00 C ATOM 718 CD1 LEU A 46 -7.910 18.941 11.295 1.00 0.00 C ATOM 719 CD2 LEU A 46 -10.337 18.905 11.901 1.00 0.00 C ATOM 0 H LEU A 46 -6.984 21.130 10.526 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.810 20.489 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.128 21.337 11.300 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.489 20.962 10.261 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.532 18.660 9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.846 17.886 11.561 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.202 19.157 10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.670 19.550 12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.239 17.851 12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.157 19.514 12.787 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.343 19.096 11.528 1.00 0.00 H new ATOM 731 N LYS A 47 -8.743 23.576 9.598 1.00 0.00 N ATOM 732 CA LYS A 47 -9.103 24.956 9.294 1.00 0.00 C ATOM 733 C LYS A 47 -8.891 25.261 7.815 1.00 0.00 C ATOM 734 O LYS A 47 -9.849 25.494 7.077 1.00 0.00 O ATOM 735 CB LYS A 47 -8.275 25.920 10.147 1.00 0.00 C ATOM 736 CG LYS A 47 -8.168 25.504 11.604 1.00 0.00 C ATOM 737 CD LYS A 47 -8.349 26.690 12.537 1.00 0.00 C ATOM 738 CE LYS A 47 -7.011 27.231 13.017 1.00 0.00 C ATOM 739 NZ LYS A 47 -7.150 28.024 14.270 1.00 0.00 N ATOM 0 H LYS A 47 -8.228 23.457 10.470 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.160 25.089 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.273 25.996 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.720 26.914 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.922 24.748 11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.195 25.045 11.782 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.898 27.479 12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.951 26.391 13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.324 26.402 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.572 27.855 12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.216 28.375 14.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.786 28.830 14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.545 27.422 15.020 1.00 0.00 H new ATOM 753 N GLN A 48 -7.633 25.255 7.388 1.00 0.00 N ATOM 754 CA GLN A 48 -7.297 25.531 5.996 1.00 0.00 C ATOM 755 C GLN A 48 -7.237 24.240 5.185 1.00 0.00 C ATOM 756 O GLN A 48 -7.638 23.177 5.660 1.00 0.00 O ATOM 757 CB GLN A 48 -5.959 26.265 5.907 1.00 0.00 C ATOM 758 CG GLN A 48 -5.835 27.424 6.884 1.00 0.00 C ATOM 759 CD GLN A 48 -4.471 28.085 6.835 1.00 0.00 C ATOM 760 OE1 GLN A 48 -3.583 27.761 7.624 1.00 0.00 O ATOM 761 NE2 GLN A 48 -4.298 29.018 5.906 1.00 0.00 N ATOM 0 H GLN A 48 -6.829 25.062 7.986 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.079 26.166 5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.152 25.556 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.827 26.640 4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.602 28.166 6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.024 27.064 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.062 29.255 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.401 29.498 5.826 1.00 0.00 H new ATOM 770 N LEU A 49 -6.734 24.341 3.959 1.00 0.00 N ATOM 771 CA LEU A 49 -6.622 23.181 3.081 1.00 0.00 C ATOM 772 C LEU A 49 -5.167 22.930 2.695 1.00 0.00 C ATOM 773 O LEU A 49 -4.788 23.077 1.533 1.00 0.00 O ATOM 774 CB LEU A 49 -7.467 23.385 1.823 1.00 0.00 C ATOM 775 CG LEU A 49 -8.973 23.536 2.044 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.489 22.446 2.970 1.00 0.00 C ATOM 777 CD2 LEU A 49 -9.294 24.913 2.607 1.00 0.00 C ATOM 0 H LEU A 49 -6.398 25.213 3.551 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.992 22.310 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.105 24.274 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.301 22.539 1.156 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.474 23.433 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.562 22.570 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.293 21.469 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.982 22.516 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.370 25.003 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.782 25.045 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.961 25.679 1.907 1.00 0.00 H new ATOM 789 N LYS A 50 -4.358 22.548 3.677 1.00 0.00 N ATOM 790 CA LYS A 50 -2.945 22.272 3.441 1.00 0.00 C ATOM 791 C LYS A 50 -2.544 20.932 4.050 1.00 0.00 C ATOM 792 O LYS A 50 -3.282 20.356 4.849 1.00 0.00 O ATOM 793 CB LYS A 50 -2.081 23.390 4.027 1.00 0.00 C ATOM 794 CG LYS A 50 -2.214 23.536 5.533 1.00 0.00 C ATOM 795 CD LYS A 50 -1.167 22.716 6.267 1.00 0.00 C ATOM 796 CE LYS A 50 -0.128 23.605 6.932 1.00 0.00 C ATOM 797 NZ LYS A 50 -0.744 24.541 7.912 1.00 0.00 N ATOM 0 H LYS A 50 -4.656 22.422 4.644 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.784 22.224 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.037 23.198 3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.352 24.334 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.114 24.586 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.209 23.219 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.652 22.095 7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.675 22.041 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.611 22.984 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.403 24.175 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.076 24.720 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.973 25.438 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.614 24.120 8.295 1.00 0.00 H new ATOM 811 N VAL A 51 -1.368 20.443 3.668 1.00 0.00 N ATOM 812 CA VAL A 51 -0.867 19.172 4.178 1.00 0.00 C ATOM 813 C VAL A 51 0.651 19.196 4.316 1.00 0.00 C ATOM 814 O VAL A 51 1.354 19.734 3.460 1.00 0.00 O ATOM 815 CB VAL A 51 -1.271 18.001 3.263 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.449 16.763 3.586 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.759 17.712 3.393 1.00 0.00 C ATOM 0 H VAL A 51 -0.745 20.908 3.007 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.316 19.026 5.160 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.068 18.283 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.748 15.946 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.609 16.979 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.617 16.475 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.027 16.882 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.990 17.450 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.328 18.597 3.107 1.00 0.00 H new ATOM 827 N ASP A 52 1.151 18.607 5.397 1.00 0.00 N ATOM 828 CA ASP A 52 2.587 18.559 5.647 1.00 0.00 C ATOM 829 C ASP A 52 3.005 17.181 6.150 1.00 0.00 C ATOM 830 O ASP A 52 2.182 16.422 6.661 1.00 0.00 O ATOM 831 CB ASP A 52 2.986 19.630 6.663 1.00 0.00 C ATOM 832 CG ASP A 52 2.069 20.837 6.623 1.00 0.00 C ATOM 833 OD1 ASP A 52 2.488 21.884 6.087 1.00 0.00 O ATOM 834 OD2 ASP A 52 0.931 20.733 7.127 1.00 0.00 O ATOM 0 H ASP A 52 0.583 18.156 6.114 1.00 0.00 H new ATOM 0 HA ASP A 52 3.101 18.754 4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.972 19.200 7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.010 19.949 6.467 1.00 0.00 H new ATOM 839 N GLN A 53 4.287 16.866 6.001 1.00 0.00 N ATOM 840 CA GLN A 53 4.813 15.579 6.440 1.00 0.00 C ATOM 841 C GLN A 53 5.613 15.728 7.730 1.00 0.00 C ATOM 842 O GLN A 53 6.347 16.699 7.908 1.00 0.00 O ATOM 843 CB GLN A 53 5.693 14.965 5.349 1.00 0.00 C ATOM 844 CG GLN A 53 5.799 13.451 5.433 1.00 0.00 C ATOM 845 CD GLN A 53 6.474 12.845 4.219 1.00 0.00 C ATOM 846 OE1 GLN A 53 6.779 13.543 3.251 1.00 0.00 O ATOM 847 NE2 GLN A 53 6.713 11.540 4.263 1.00 0.00 N ATOM 0 H GLN A 53 4.981 17.484 5.580 1.00 0.00 H new ATOM 0 HA GLN A 53 3.969 14.917 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.292 15.239 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.692 15.395 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.358 13.179 6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.801 13.026 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.444 11.000 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.166 11.078 3.475 1.00 0.00 H new ATOM 856 N GLY A 54 5.464 14.759 8.628 1.00 0.00 N ATOM 857 CA GLY A 54 6.178 14.802 9.891 1.00 0.00 C ATOM 858 C GLY A 54 5.246 14.918 11.080 1.00 0.00 C ATOM 859 O GLY A 54 4.064 14.585 10.987 1.00 0.00 O ATOM 0 H GLY A 54 4.862 13.945 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.783 13.901 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.865 15.648 9.888 1.00 0.00 H new ATOM 863 N VAL A 55 5.778 15.390 12.203 1.00 0.00 N ATOM 864 CA VAL A 55 4.985 15.549 13.417 1.00 0.00 C ATOM 865 C VAL A 55 4.831 17.020 13.784 1.00 0.00 C ATOM 866 O VAL A 55 5.814 17.708 14.060 1.00 0.00 O ATOM 867 CB VAL A 55 5.619 14.798 14.603 1.00 0.00 C ATOM 868 CG1 VAL A 55 7.048 15.268 14.830 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.782 14.985 15.860 1.00 0.00 C ATOM 0 H VAL A 55 6.755 15.669 12.298 1.00 0.00 H new ATOM 0 HA VAL A 55 4.002 15.125 13.212 1.00 0.00 H new ATOM 0 HB VAL A 55 5.645 13.734 14.366 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.480 14.727 15.672 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.640 15.079 13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.050 16.336 15.047 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.244 14.448 16.688 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.723 16.046 16.103 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.778 14.595 15.690 1.00 0.00 H new ATOM 879 N PHE A 56 3.591 17.497 13.786 1.00 0.00 N ATOM 880 CA PHE A 56 3.307 18.888 14.119 1.00 0.00 C ATOM 881 C PHE A 56 3.916 19.259 15.468 1.00 0.00 C ATOM 882 O PHE A 56 3.998 18.430 16.373 1.00 0.00 O ATOM 883 CB PHE A 56 1.796 19.131 14.144 1.00 0.00 C ATOM 884 CG PHE A 56 1.416 20.568 13.932 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.949 21.291 12.876 1.00 0.00 C ATOM 886 CD2 PHE A 56 0.527 21.197 14.788 1.00 0.00 C ATOM 887 CE1 PHE A 56 1.601 22.613 12.678 1.00 0.00 C ATOM 888 CE2 PHE A 56 0.175 22.519 14.594 1.00 0.00 C ATOM 889 CZ PHE A 56 0.714 23.229 13.538 1.00 0.00 C ATOM 0 H PHE A 56 2.766 16.941 13.561 1.00 0.00 H new ATOM 0 HA PHE A 56 3.756 19.518 13.352 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.325 18.522 13.373 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.398 18.796 15.102 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.644 20.815 12.200 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.104 20.648 15.616 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.023 23.165 11.851 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.521 22.997 15.267 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.442 24.263 13.386 1.00 0.00 H new ATOM 899 N ALA A 57 4.342 20.512 15.593 1.00 0.00 N ATOM 900 CA ALA A 57 4.942 20.995 16.831 1.00 0.00 C ATOM 901 C ALA A 57 3.983 20.830 18.006 1.00 0.00 C ATOM 902 O ALA A 57 4.410 20.684 19.151 1.00 0.00 O ATOM 903 CB ALA A 57 5.355 22.451 16.684 1.00 0.00 C ATOM 0 H ALA A 57 4.283 21.211 14.852 1.00 0.00 H new ATOM 0 HA ALA A 57 5.830 20.396 17.034 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.801 22.798 17.616 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.082 22.543 15.877 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.478 23.056 16.454 1.00 0.00 H new ATOM 909 N SER A 58 2.687 20.857 17.714 1.00 0.00 N ATOM 910 CA SER A 58 1.668 20.715 18.748 1.00 0.00 C ATOM 911 C SER A 58 0.289 20.513 18.127 1.00 0.00 C ATOM 912 O SER A 58 -0.541 21.421 18.088 1.00 0.00 O ATOM 913 CB SER A 58 1.656 21.948 19.654 1.00 0.00 C ATOM 914 OG SER A 58 1.047 21.658 20.900 1.00 0.00 O ATOM 0 H SER A 58 2.317 20.976 16.771 1.00 0.00 H new ATOM 0 HA SER A 58 1.911 19.836 19.345 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.677 22.294 19.816 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.119 22.759 19.163 1.00 0.00 H new ATOM 0 HG SER A 58 1.053 22.461 21.462 1.00 0.00 H new ATOM 920 N PRO A 59 0.038 19.293 17.630 1.00 0.00 N ATOM 921 CA PRO A 59 -1.239 18.941 17.002 1.00 0.00 C ATOM 922 C PRO A 59 -2.381 18.872 18.010 1.00 0.00 C ATOM 923 O PRO A 59 -2.154 18.703 19.209 1.00 0.00 O ATOM 924 CB PRO A 59 -0.971 17.558 16.403 1.00 0.00 C ATOM 925 CG PRO A 59 0.130 16.993 17.232 1.00 0.00 C ATOM 926 CD PRO A 59 0.982 18.162 17.643 1.00 0.00 C ATOM 0 HA PRO A 59 -1.551 19.685 16.269 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.861 16.929 16.445 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.680 17.630 15.355 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.266 16.473 18.104 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.712 16.266 16.665 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.418 18.014 18.631 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.808 18.320 16.950 1.00 0.00 H new ATOM 934 N ASP A 60 -3.607 19.004 17.518 1.00 0.00 N ATOM 935 CA ASP A 60 -4.786 18.955 18.376 1.00 0.00 C ATOM 936 C ASP A 60 -5.091 17.521 18.798 1.00 0.00 C ATOM 937 O ASP A 60 -5.520 17.272 19.924 1.00 0.00 O ATOM 938 CB ASP A 60 -5.993 19.556 17.655 1.00 0.00 C ATOM 939 CG ASP A 60 -5.766 20.999 17.249 1.00 0.00 C ATOM 940 OD1 ASP A 60 -4.799 21.260 16.503 1.00 0.00 O ATOM 941 OD2 ASP A 60 -6.556 21.866 17.676 1.00 0.00 O ATOM 0 H ASP A 60 -3.811 19.146 16.529 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.579 19.542 19.271 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.215 18.963 16.768 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.867 19.498 18.304 1.00 0.00 H new ATOM 946 N VAL A 61 -4.868 16.580 17.885 1.00 0.00 N ATOM 947 CA VAL A 61 -5.119 15.171 18.162 1.00 0.00 C ATOM 948 C VAL A 61 -4.105 14.282 17.452 1.00 0.00 C ATOM 949 O VAL A 61 -3.581 14.638 16.395 1.00 0.00 O ATOM 950 CB VAL A 61 -6.539 14.759 17.730 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.889 13.387 18.287 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.555 15.799 18.175 1.00 0.00 C ATOM 0 H VAL A 61 -4.514 16.769 16.947 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.022 15.038 19.239 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.566 14.701 16.642 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.896 13.112 17.972 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.178 12.650 17.913 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.845 13.414 19.376 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.552 15.491 17.861 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.529 15.892 19.261 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.313 16.761 17.723 1.00 0.00 H new ATOM 962 N THR A 62 -3.830 13.121 18.038 1.00 0.00 N ATOM 963 CA THR A 62 -2.878 12.180 17.463 1.00 0.00 C ATOM 964 C THR A 62 -3.526 10.823 17.216 1.00 0.00 C ATOM 965 O THR A 62 -3.907 10.125 18.156 1.00 0.00 O ATOM 966 CB THR A 62 -1.652 11.992 18.376 1.00 0.00 C ATOM 967 OG1 THR A 62 -1.173 13.266 18.822 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.540 11.255 17.644 1.00 0.00 C ATOM 0 H THR A 62 -4.254 12.810 18.912 1.00 0.00 H new ATOM 0 HA THR A 62 -2.552 12.602 16.512 1.00 0.00 H new ATOM 0 HB THR A 62 -1.956 11.397 19.237 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.395 13.138 19.403 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.315 11.134 18.309 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.898 10.274 17.331 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.240 11.828 16.767 1.00 0.00 H new ATOM 976 N VAL A 63 -3.649 10.453 15.945 1.00 0.00 N ATOM 977 CA VAL A 63 -4.251 9.177 15.575 1.00 0.00 C ATOM 978 C VAL A 63 -3.226 8.255 14.924 1.00 0.00 C ATOM 979 O VAL A 63 -2.387 8.696 14.138 1.00 0.00 O ATOM 980 CB VAL A 63 -5.435 9.374 14.609 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.943 9.464 13.173 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.443 8.246 14.767 1.00 0.00 C ATOM 0 H VAL A 63 -3.340 11.019 15.154 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.615 8.720 16.495 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.932 10.312 14.856 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.793 9.603 12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.262 10.309 13.074 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.421 8.544 12.909 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.273 8.400 14.077 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.961 7.294 14.547 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.819 8.234 15.790 1.00 0.00 H new ATOM 992 N THR A 64 -3.299 6.970 15.256 1.00 0.00 N ATOM 993 CA THR A 64 -2.378 5.984 14.705 1.00 0.00 C ATOM 994 C THR A 64 -3.132 4.850 14.020 1.00 0.00 C ATOM 995 O THR A 64 -3.834 4.076 14.671 1.00 0.00 O ATOM 996 CB THR A 64 -1.467 5.394 15.798 1.00 0.00 C ATOM 997 OG1 THR A 64 -0.816 6.448 16.516 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.424 4.467 15.191 1.00 0.00 C ATOM 0 H THR A 64 -3.987 6.588 15.904 1.00 0.00 H new ATOM 0 HA THR A 64 -1.762 6.502 13.970 1.00 0.00 H new ATOM 0 HB THR A 64 -2.087 4.817 16.484 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.240 6.064 17.210 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.208 4.062 15.982 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.923 3.649 14.671 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.191 5.024 14.485 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.982 4.757 12.703 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.647 3.715 11.929 1.00 0.00 C ATOM 1008 C VAL A 65 -2.633 2.815 11.232 1.00 0.00 C ATOM 1009 O VAL A 65 -1.542 3.255 10.871 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.593 4.318 10.874 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.828 5.236 9.932 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -5.298 3.214 10.099 1.00 0.00 C ATOM 0 H VAL A 65 -2.406 5.391 12.149 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.230 3.121 12.633 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.349 4.912 11.387 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.513 5.652 9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.373 6.046 10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.049 4.668 9.424 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.963 3.657 9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.557 2.592 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.880 2.601 10.787 1.00 0.00 H new ATOM 1022 N GLY A 66 -3.001 1.552 11.044 1.00 0.00 N ATOM 1023 CA GLY A 66 -2.112 0.609 10.390 1.00 0.00 C ATOM 1024 C GLY A 66 -1.839 0.976 8.945 1.00 0.00 C ATOM 1025 O GLY A 66 -2.692 1.559 8.273 1.00 0.00 O ATOM 0 H GLY A 66 -3.899 1.164 11.333 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.169 0.566 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.551 -0.388 10.432 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.648 0.637 8.465 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.264 0.936 7.090 1.00 0.00 C ATOM 1031 C LEU A 67 -1.116 0.146 6.102 1.00 0.00 C ATOM 1032 O LEU A 67 -1.651 0.703 5.145 1.00 0.00 O ATOM 1033 CB LEU A 67 1.216 0.618 6.872 1.00 0.00 C ATOM 1034 CG LEU A 67 1.683 0.558 5.418 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.020 1.951 4.907 1.00 0.00 C ATOM 1036 CD2 LEU A 67 2.884 -0.367 5.280 1.00 0.00 C ATOM 0 H LEU A 67 0.069 0.155 9.008 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.431 1.999 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.809 1.370 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.434 -0.341 7.342 1.00 0.00 H new ATOM 0 HG LEU A 67 0.870 0.158 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.351 1.888 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.135 2.585 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.816 2.379 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.202 -0.397 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.701 0.003 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.609 -1.371 5.605 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.239 -1.156 6.344 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.027 -2.022 5.476 1.00 0.00 C ATOM 1050 C GLU A 68 -3.510 -1.671 5.559 1.00 0.00 C ATOM 1051 O GLU A 68 -4.203 -1.614 4.543 1.00 0.00 O ATOM 1052 CB GLU A 68 -1.817 -3.490 5.855 1.00 0.00 C ATOM 1053 CG GLU A 68 -0.365 -3.933 5.790 1.00 0.00 C ATOM 1054 CD GLU A 68 0.046 -4.381 4.401 1.00 0.00 C ATOM 1055 OE1 GLU A 68 0.719 -5.427 4.290 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.306 -3.686 3.424 1.00 0.00 O ATOM 0 H GLU A 68 -0.803 -1.633 7.133 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.691 -1.868 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.193 -3.653 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.410 -4.117 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.276 -3.111 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.207 -4.751 6.493 1.00 0.00 H new ATOM 1063 N ASP A 69 -3.989 -1.439 6.776 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.389 -1.093 6.993 1.00 0.00 C ATOM 1065 C ASP A 69 -5.748 0.201 6.268 1.00 0.00 C ATOM 1066 O ASP A 69 -6.885 0.386 5.835 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.676 -0.951 8.488 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.397 -2.228 9.255 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -5.897 -3.294 8.836 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.679 -2.163 10.275 1.00 0.00 O ATOM 0 H ASP A 69 -3.429 -1.484 7.627 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.003 -1.897 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.067 -0.145 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.719 -0.666 8.629 1.00 0.00 H new ATOM 1075 N MET A 70 -4.771 1.093 6.142 1.00 0.00 N ATOM 1076 CA MET A 70 -4.985 2.369 5.469 1.00 0.00 C ATOM 1077 C MET A 70 -4.948 2.198 3.954 1.00 0.00 C ATOM 1078 O MET A 70 -5.531 2.993 3.215 1.00 0.00 O ATOM 1079 CB MET A 70 -3.926 3.383 5.906 1.00 0.00 C ATOM 1080 CG MET A 70 -4.464 4.466 6.827 1.00 0.00 C ATOM 1081 SD MET A 70 -5.337 5.767 5.933 1.00 0.00 S ATOM 1082 CE MET A 70 -4.793 7.218 6.831 1.00 0.00 C ATOM 0 H MET A 70 -3.824 0.956 6.497 1.00 0.00 H new ATOM 0 HA MET A 70 -5.971 2.739 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.117 2.856 6.412 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.496 3.851 5.021 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.138 4.016 7.556 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.638 4.906 7.386 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.974 8.108 6.228 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.346 7.295 7.767 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.727 7.135 7.044 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.260 1.158 3.497 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.147 0.883 2.069 1.00 0.00 C ATOM 1094 C LEU A 71 -5.506 0.530 1.473 1.00 0.00 C ATOM 1095 O LEU A 71 -5.918 1.097 0.462 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.159 -0.259 1.826 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.026 -0.735 0.379 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -2.927 0.452 -0.567 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -1.815 -1.643 0.225 1.00 0.00 C ATOM 0 H LEU A 71 -3.772 0.491 4.095 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.779 1.784 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.176 0.057 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.458 -1.108 2.441 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.918 -1.306 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.833 0.093 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.824 1.064 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.053 1.050 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.736 -1.972 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.913 -1.097 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.927 -2.512 0.874 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.199 -0.409 2.109 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.514 -0.835 1.645 1.00 0.00 C ATOM 1113 C ALA A 72 -8.460 0.353 1.512 1.00 0.00 C ATOM 1114 O ALA A 72 -9.308 0.387 0.619 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.097 -1.874 2.591 1.00 0.00 C ATOM 0 H ALA A 72 -5.872 -0.889 2.947 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.396 -1.284 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.079 -2.183 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.437 -2.740 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.194 -1.444 3.588 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.311 1.325 2.406 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.153 2.515 2.388 1.00 0.00 C ATOM 1123 C ILE A 73 -8.717 3.480 1.291 1.00 0.00 C ATOM 1124 O ILE A 73 -9.494 3.811 0.396 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.124 3.247 3.742 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.268 2.246 4.891 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.225 4.294 3.803 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -9.098 2.867 6.259 1.00 0.00 C ATOM 0 H ILE A 73 -7.615 1.312 3.152 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.170 2.178 2.189 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.164 3.753 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.251 1.778 4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.530 1.454 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.191 4.802 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.080 5.021 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.194 3.810 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.213 2.099 7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.105 3.311 6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.853 3.640 6.404 1.00 0.00 H new ATOM 1140 N SER A 74 -7.468 3.928 1.367 1.00 0.00 N ATOM 1141 CA SER A 74 -6.927 4.857 0.382 1.00 0.00 C ATOM 1142 C SER A 74 -7.062 4.293 -1.029 1.00 0.00 C ATOM 1143 O SER A 74 -7.090 5.037 -2.008 1.00 0.00 O ATOM 1144 CB SER A 74 -5.458 5.158 0.686 1.00 0.00 C ATOM 1145 OG SER A 74 -4.602 4.492 -0.227 1.00 0.00 O ATOM 0 H SER A 74 -6.811 3.662 2.101 1.00 0.00 H new ATOM 0 HA SER A 74 -7.499 5.783 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.285 6.233 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.223 4.847 1.704 1.00 0.00 H new ATOM 0 HG SER A 74 -4.066 5.152 -0.715 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.144 2.969 -1.124 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.274 2.325 -2.418 1.00 0.00 C ATOM 1153 C GLY A 75 -8.716 2.232 -2.877 1.00 0.00 C ATOM 1154 O GLY A 75 -9.023 1.538 -3.847 1.00 0.00 O ATOM 0 H GLY A 75 -7.123 2.331 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.696 2.880 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.847 1.323 -2.367 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.604 2.929 -2.178 1.00 0.00 N ATOM 1159 CA LYS A 76 -11.022 2.923 -2.517 1.00 0.00 C ATOM 1160 C LYS A 76 -11.611 1.524 -2.365 1.00 0.00 C ATOM 1161 O LYS A 76 -12.173 0.969 -3.310 1.00 0.00 O ATOM 1162 CB LYS A 76 -11.227 3.421 -3.950 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.553 4.131 -4.163 1.00 0.00 C ATOM 1164 CD LYS A 76 -13.072 3.929 -5.577 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.466 5.250 -6.220 1.00 0.00 C ATOM 1166 NZ LYS A 76 -12.296 6.156 -6.387 1.00 0.00 N ATOM 0 H LYS A 76 -9.367 3.507 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.538 3.593 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.415 4.100 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.164 2.574 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.286 3.757 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.432 5.196 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.306 3.443 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.933 3.261 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.920 5.059 -7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.221 5.741 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.473 6.809 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.151 6.700 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.446 5.592 -6.588 1.00 0.00 H new ATOM 1180 N THR A 77 -11.482 0.959 -1.169 1.00 0.00 N ATOM 1181 CA THR A 77 -12.001 -0.374 -0.893 1.00 0.00 C ATOM 1182 C THR A 77 -12.642 -0.440 0.489 1.00 0.00 C ATOM 1183 O THR A 77 -13.825 -0.758 0.622 1.00 0.00 O ATOM 1184 CB THR A 77 -10.892 -1.440 -0.983 1.00 0.00 C ATOM 1185 OG1 THR A 77 -9.775 -0.923 -1.715 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.408 -2.702 -1.657 1.00 0.00 C ATOM 0 H THR A 77 -11.022 1.405 -0.375 1.00 0.00 H new ATOM 0 HA THR A 77 -12.756 -0.581 -1.651 1.00 0.00 H new ATOM 0 HB THR A 77 -10.577 -1.692 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.265 -0.310 -1.145 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.607 -3.440 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.239 -3.108 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.748 -2.463 -2.665 1.00 0.00 H new ATOM 1194 N LEU A 78 -11.855 -0.137 1.515 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.346 -0.160 2.889 1.00 0.00 C ATOM 1196 C LEU A 78 -12.878 1.209 3.301 1.00 0.00 C ATOM 1197 O LEU A 78 -12.692 2.199 2.592 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.232 -0.596 3.842 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.328 -2.025 4.378 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -10.036 -2.421 5.076 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -12.511 -2.162 5.325 1.00 0.00 C ATOM 0 H LEU A 78 -10.874 0.128 1.422 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.164 -0.878 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.277 -0.486 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.218 0.089 4.690 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.483 -2.699 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.123 -3.441 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.208 -2.363 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.850 -1.743 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.563 -3.185 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.387 -1.478 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.432 -1.921 4.794 1.00 0.00 H new ATOM 1213 N THR A 79 -13.538 1.260 4.453 1.00 0.00 N ATOM 1214 CA THR A 79 -14.095 2.507 4.961 1.00 0.00 C ATOM 1215 C THR A 79 -13.679 2.747 6.408 1.00 0.00 C ATOM 1216 O THR A 79 -13.292 1.817 7.115 1.00 0.00 O ATOM 1217 CB THR A 79 -15.633 2.512 4.874 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.184 1.653 5.878 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.099 2.057 3.499 1.00 0.00 C ATOM 0 H THR A 79 -13.700 0.451 5.053 1.00 0.00 H new ATOM 0 HA THR A 79 -13.700 3.307 4.335 1.00 0.00 H new ATOM 0 HB THR A 79 -15.980 3.532 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.162 1.663 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.188 2.069 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.703 2.731 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 79 -15.740 1.045 3.310 1.00 0.00 H new ATOM 1227 N VAL A 80 -13.761 4.001 6.842 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.394 4.363 8.206 1.00 0.00 C ATOM 1229 C VAL A 80 -14.147 3.512 9.222 1.00 0.00 C ATOM 1230 O VAL A 80 -13.557 2.978 10.160 1.00 0.00 O ATOM 1231 CB VAL A 80 -13.678 5.850 8.488 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.483 6.161 9.964 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -12.788 6.734 7.626 1.00 0.00 C ATOM 0 H VAL A 80 -14.078 4.783 6.269 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.324 4.180 8.305 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.717 6.059 8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.688 7.216 10.144 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.165 5.552 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.455 5.937 10.250 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.001 7.782 7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.742 6.525 7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.982 6.530 6.573 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.457 3.388 9.027 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.271 2.600 9.934 1.00 0.00 C ATOM 1245 C GLY A 81 -15.727 1.199 10.133 1.00 0.00 C ATOM 1246 O GLY A 81 -15.740 0.673 11.246 1.00 0.00 O ATOM 0 H GLY A 81 -15.969 3.819 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.327 3.105 10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.288 2.540 9.546 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.249 0.593 9.052 1.00 0.00 N ATOM 1251 CA ASP A 82 -14.699 -0.756 9.112 1.00 0.00 C ATOM 1252 C ASP A 82 -13.448 -0.794 9.984 1.00 0.00 C ATOM 1253 O ASP A 82 -13.378 -1.550 10.953 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.370 -1.259 7.705 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.204 -2.461 7.311 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -15.943 -2.368 6.308 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.118 -3.496 8.004 1.00 0.00 O ATOM 0 H ASP A 82 -15.231 1.015 8.123 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.450 -1.409 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.534 -0.455 6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.313 -1.521 7.654 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.462 0.025 9.633 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.215 0.085 10.384 1.00 0.00 C ATOM 1264 C ALA A 83 -11.470 0.443 11.844 1.00 0.00 C ATOM 1265 O ALA A 83 -10.769 -0.027 12.742 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.265 1.091 9.750 1.00 0.00 C ATOM 0 H ALA A 83 -12.503 0.656 8.833 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.754 -0.902 10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.337 1.126 10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.049 0.791 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.728 2.078 9.749 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.477 1.278 12.076 1.00 0.00 N ATOM 1273 CA LEU A 84 -12.824 1.701 13.429 1.00 0.00 C ATOM 1274 C LEU A 84 -13.375 0.532 14.240 1.00 0.00 C ATOM 1275 O LEU A 84 -13.082 0.393 15.427 1.00 0.00 O ATOM 1276 CB LEU A 84 -13.852 2.833 13.382 1.00 0.00 C ATOM 1277 CG LEU A 84 -13.714 3.910 14.459 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.343 4.564 14.386 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -14.813 4.952 14.316 1.00 0.00 C ATOM 0 H LEU A 84 -13.067 1.676 11.345 1.00 0.00 H new ATOM 0 HA LEU A 84 -11.917 2.061 13.915 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.789 3.314 12.406 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -14.848 2.396 13.459 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.816 3.436 15.435 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.263 5.328 15.160 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.571 3.810 14.539 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.211 5.024 13.407 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -14.699 5.710 15.091 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -14.743 5.422 13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -15.786 4.471 14.420 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.173 -0.308 13.590 1.00 0.00 N ATOM 1292 CA LYS A 85 -14.762 -1.468 14.248 1.00 0.00 C ATOM 1293 C LYS A 85 -13.693 -2.499 14.594 1.00 0.00 C ATOM 1294 O LYS A 85 -13.792 -3.193 15.605 1.00 0.00 O ATOM 1295 CB LYS A 85 -15.827 -2.104 13.350 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.306 -3.459 13.840 1.00 0.00 C ATOM 1297 CD LYS A 85 -15.592 -4.594 13.125 1.00 0.00 C ATOM 1298 CE LYS A 85 -16.024 -4.696 11.671 1.00 0.00 C ATOM 1299 NZ LYS A 85 -16.876 -5.893 11.427 1.00 0.00 N ATOM 0 H LYS A 85 -14.427 -0.207 12.607 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.229 -1.131 15.173 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.681 -1.430 13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.423 -2.213 12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.136 -3.540 14.914 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.381 -3.546 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.515 -4.436 13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.801 -5.535 13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.573 -3.797 11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.142 -4.742 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.149 -5.926 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.344 -6.753 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.731 -5.837 12.017 1.00 0.00 H new ATOM 1313 N GLN A 86 -12.672 -2.593 13.748 1.00 0.00 N ATOM 1314 CA GLN A 86 -11.584 -3.539 13.966 1.00 0.00 C ATOM 1315 C GLN A 86 -10.653 -3.052 15.072 1.00 0.00 C ATOM 1316 O GLN A 86 -10.195 -3.837 15.902 1.00 0.00 O ATOM 1317 CB GLN A 86 -10.794 -3.747 12.673 1.00 0.00 C ATOM 1318 CG GLN A 86 -11.635 -4.289 11.528 1.00 0.00 C ATOM 1319 CD GLN A 86 -10.814 -4.573 10.285 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -9.592 -4.712 10.352 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -11.482 -4.660 9.141 1.00 0.00 N ATOM 0 H GLN A 86 -12.576 -2.026 12.906 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.019 -4.490 14.274 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.351 -2.798 12.370 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.971 -4.435 12.866 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.131 -5.205 11.848 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.418 -3.571 11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.495 -4.538 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.983 -4.849 8.272 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.375 -1.752 15.076 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.499 -1.183 16.084 1.00 0.00 C ATOM 1332 C GLY A 87 -8.111 -0.894 15.548 1.00 0.00 C ATOM 1333 O GLY A 87 -7.138 -0.871 16.303 1.00 0.00 O ATOM 0 H GLY A 87 -10.741 -1.082 14.399 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.938 -0.260 16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.424 -1.871 16.926 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.017 -0.673 14.241 1.00 0.00 N ATOM 1338 CA LYS A 88 -6.738 -0.384 13.604 1.00 0.00 C ATOM 1339 C LYS A 88 -6.310 1.056 13.871 1.00 0.00 C ATOM 1340 O LYS A 88 -5.120 1.347 13.990 1.00 0.00 O ATOM 1341 CB LYS A 88 -6.829 -0.629 12.096 1.00 0.00 C ATOM 1342 CG LYS A 88 -7.528 -1.927 11.732 1.00 0.00 C ATOM 1343 CD LYS A 88 -6.897 -3.116 12.437 1.00 0.00 C ATOM 1344 CE LYS A 88 -6.976 -4.375 11.585 1.00 0.00 C ATOM 1345 NZ LYS A 88 -5.701 -5.143 11.613 1.00 0.00 N ATOM 0 H LYS A 88 -8.812 -0.689 13.602 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.989 -1.052 14.030 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.360 0.202 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.823 -0.638 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.582 -1.861 12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.482 -2.076 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.854 -2.894 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.402 -3.286 13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.789 -5.006 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.214 -4.103 10.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.795 -5.993 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.930 -4.549 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.486 -5.424 12.591 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.288 1.951 13.965 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.011 3.359 14.220 1.00 0.00 C ATOM 1361 C ILE A 89 -7.133 3.683 15.705 1.00 0.00 C ATOM 1362 O ILE A 89 -8.217 3.602 16.281 1.00 0.00 O ATOM 1363 CB ILE A 89 -7.965 4.273 13.428 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.353 3.614 12.102 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.319 5.628 13.183 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.239 4.480 11.234 1.00 0.00 C ATOM 0 H ILE A 89 -8.278 1.726 13.868 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.988 3.543 13.892 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.870 4.425 14.016 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.447 3.367 11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.866 2.675 12.309 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.006 6.262 12.622 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.088 6.099 14.138 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.400 5.495 12.612 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.474 3.950 10.311 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.162 4.706 11.768 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.720 5.409 10.997 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.012 4.050 16.319 1.00 0.00 N ATOM 1379 CA GLU A 90 -5.994 4.387 17.738 1.00 0.00 C ATOM 1380 C GLU A 90 -6.203 5.884 17.944 1.00 0.00 C ATOM 1381 O GLU A 90 -5.815 6.699 17.105 1.00 0.00 O ATOM 1382 CB GLU A 90 -4.670 3.954 18.371 1.00 0.00 C ATOM 1383 CG GLU A 90 -4.708 3.908 19.889 1.00 0.00 C ATOM 1384 CD GLU A 90 -5.673 2.865 20.417 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -6.894 3.130 20.410 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -5.209 1.785 20.838 1.00 0.00 O ATOM 0 H GLU A 90 -5.106 4.121 15.857 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.812 3.853 18.222 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.401 2.968 17.993 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.885 4.641 18.056 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.708 3.697 20.267 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.993 4.888 20.271 1.00 0.00 H new ATOM 1393 N LEU A 91 -6.819 6.241 19.066 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.080 7.640 19.384 1.00 0.00 C ATOM 1395 C LEU A 91 -6.270 8.084 20.598 1.00 0.00 C ATOM 1396 O LEU A 91 -5.885 7.265 21.432 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.572 7.854 19.646 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.353 6.626 20.117 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -8.840 6.154 21.469 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -10.841 6.936 20.188 1.00 0.00 C ATOM 0 H LEU A 91 -7.147 5.580 19.771 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.777 8.244 18.528 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.680 8.638 20.395 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.032 8.223 18.730 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.203 5.824 19.394 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.407 5.280 21.788 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.785 5.892 21.387 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.960 6.952 22.202 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.381 6.051 20.525 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.009 7.753 20.890 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.200 7.226 19.200 1.00 0.00 H new ATOM 1412 N SER A 92 -6.017 9.385 20.691 1.00 0.00 N ATOM 1413 CA SER A 92 -5.252 9.938 21.802 1.00 0.00 C ATOM 1414 C SER A 92 -5.252 11.463 21.757 1.00 0.00 C ATOM 1415 O SER A 92 -5.468 12.064 20.705 1.00 0.00 O ATOM 1416 CB SER A 92 -3.814 9.416 21.767 1.00 0.00 C ATOM 1417 OG SER A 92 -3.690 8.214 22.507 1.00 0.00 O ATOM 0 H SER A 92 -6.331 10.076 20.010 1.00 0.00 H new ATOM 0 HA SER A 92 -5.725 9.620 22.731 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.511 9.244 20.734 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.140 10.169 22.175 1.00 0.00 H new ATOM 0 HG SER A 92 -4.454 7.631 22.315 1.00 0.00 H new ATOM 1423 N GLY A 93 -5.009 12.083 22.908 1.00 0.00 N ATOM 1424 CA GLY A 93 -4.986 13.532 22.979 1.00 0.00 C ATOM 1425 C GLY A 93 -6.358 14.121 23.242 1.00 0.00 C ATOM 1426 O GLY A 93 -6.861 14.065 24.364 1.00 0.00 O ATOM 0 H GLY A 93 -4.828 11.608 23.792 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.303 13.843 23.769 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.595 13.932 22.044 1.00 0.00 H new ATOM 1430 N ASP A 94 -6.964 14.689 22.205 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.286 15.292 22.329 1.00 0.00 C ATOM 1432 C ASP A 94 -9.340 14.439 21.630 1.00 0.00 C ATOM 1433 O ASP A 94 -9.804 14.776 20.542 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.283 16.704 21.740 1.00 0.00 C ATOM 1435 CG ASP A 94 -8.120 17.774 22.802 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -7.402 17.522 23.793 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -8.709 18.863 22.642 1.00 0.00 O ATOM 0 H ASP A 94 -6.561 14.744 21.270 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.534 15.349 23.389 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.474 16.790 21.014 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.215 16.871 21.200 1.00 0.00 H new ATOM 1442 N ALA A 95 -9.713 13.332 22.264 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.713 12.431 21.705 1.00 0.00 C ATOM 1444 C ALA A 95 -11.910 13.206 21.165 1.00 0.00 C ATOM 1445 O ALA A 95 -12.490 12.839 20.144 1.00 0.00 O ATOM 1446 CB ALA A 95 -11.162 11.424 22.753 1.00 0.00 C ATOM 0 H ALA A 95 -9.337 13.038 23.165 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.257 11.893 20.874 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.909 10.758 22.321 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.305 10.840 23.087 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.595 11.952 23.603 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.274 14.279 21.858 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.403 15.107 21.448 1.00 0.00 C ATOM 1454 C ASP A 96 -13.257 15.543 19.994 1.00 0.00 C ATOM 1455 O ASP A 96 -14.201 15.447 19.208 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.517 16.335 22.353 1.00 0.00 C ATOM 1457 CG ASP A 96 -14.931 16.556 22.854 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.521 17.606 22.523 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.448 15.678 23.576 1.00 0.00 O ATOM 0 H ASP A 96 -11.804 14.596 22.706 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.311 14.512 21.540 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.847 16.218 23.205 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.186 17.218 21.806 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.070 16.023 19.641 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.800 16.475 18.281 1.00 0.00 C ATOM 1466 C LEU A 97 -11.874 15.312 17.296 1.00 0.00 C ATOM 1467 O LEU A 97 -12.635 15.351 16.330 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.423 17.136 18.206 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.400 18.659 18.344 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.889 19.062 19.718 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.545 19.281 17.250 1.00 0.00 C ATOM 0 H LEU A 97 -11.278 16.109 20.278 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.562 17.206 18.009 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.795 16.711 18.989 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.966 16.871 17.252 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.419 19.030 18.235 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.879 20.149 19.798 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.543 18.647 20.485 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.878 18.679 19.857 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.540 20.365 17.364 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.525 18.904 17.326 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.956 19.021 16.275 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.078 14.278 17.549 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.056 13.103 16.688 1.00 0.00 C ATOM 1485 C ALA A 98 -12.459 12.536 16.496 1.00 0.00 C ATOM 1486 O ALA A 98 -12.800 12.049 15.419 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.131 12.042 17.266 1.00 0.00 C ATOM 0 H ALA A 98 -10.440 14.231 18.343 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.678 13.406 15.712 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.124 11.170 16.612 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.121 12.444 17.345 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.484 11.751 18.255 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.268 12.603 17.548 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.634 12.098 17.495 1.00 0.00 C ATOM 1495 C ALA A 99 -15.383 12.666 16.294 1.00 0.00 C ATOM 1496 O ALA A 99 -16.114 11.950 15.609 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.371 12.431 18.784 1.00 0.00 C ATOM 0 H ALA A 99 -13.001 13.002 18.448 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.590 11.015 17.384 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.390 12.048 18.730 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.855 11.972 19.627 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.397 13.512 18.919 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.197 13.957 16.043 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.854 14.622 14.924 1.00 0.00 C ATOM 1505 C LYS A 100 -15.371 14.053 13.594 1.00 0.00 C ATOM 1506 O LYS A 100 -16.170 13.783 12.696 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.589 16.129 14.973 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.750 16.730 16.358 1.00 0.00 C ATOM 1509 CD LYS A 100 -17.005 16.220 17.045 1.00 0.00 C ATOM 1510 CE LYS A 100 -17.728 17.334 17.786 1.00 0.00 C ATOM 1511 NZ LYS A 100 -16.899 17.894 18.890 1.00 0.00 N ATOM 0 H LYS A 100 -14.596 14.564 16.600 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.926 14.445 15.007 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.577 16.323 14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.270 16.632 14.287 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -14.878 16.487 16.965 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.792 17.816 16.281 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.673 15.781 16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.741 15.428 17.745 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.985 18.129 17.086 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.664 16.952 18.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.439 18.627 19.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.646 17.134 19.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.032 18.312 18.496 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.061 13.873 13.473 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.472 13.334 12.252 1.00 0.00 C ATOM 1527 C LEU A 101 -14.030 11.948 11.944 1.00 0.00 C ATOM 1528 O LEU A 101 -14.357 11.640 10.798 1.00 0.00 O ATOM 1529 CB LEU A 101 -11.949 13.265 12.384 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.226 12.389 11.361 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -10.073 13.151 10.726 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -10.726 11.109 12.014 1.00 0.00 C ATOM 0 H LEU A 101 -13.386 14.092 14.205 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.730 14.001 11.429 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.552 14.277 12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -11.707 12.899 13.382 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.933 12.121 10.576 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.570 12.512 10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.457 14.039 10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.365 13.450 11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.214 10.498 11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.034 11.357 12.819 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.571 10.554 12.421 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.137 11.116 12.975 1.00 0.00 N ATOM 1545 CA ALA A 102 -14.659 9.765 12.816 1.00 0.00 C ATOM 1546 C ALA A 102 -16.173 9.779 12.634 1.00 0.00 C ATOM 1547 O ALA A 102 -16.736 8.911 11.969 1.00 0.00 O ATOM 1548 CB ALA A 102 -14.278 8.907 14.013 1.00 0.00 C ATOM 0 H ALA A 102 -13.869 11.355 13.930 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.215 9.335 11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.675 7.901 13.880 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.192 8.861 14.097 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -14.694 9.344 14.921 1.00 0.00 H new