USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 474 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 20 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.77) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0125 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.535 USER MOD Single : A 5 SER OG : rot 49:sc= 0.368 USER MOD Single : A 6 SER OG : rot 36:sc= 1.21 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 130:sc= -0.64 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.393 K(o=0.39,f=-0.93) USER MOD Single : A 28 SER OG : rot 40:sc= 1.06 USER MOD Single : A 45 THR OG1 : rot -77:sc= 0.0261 USER MOD Single : A 49 ASN : amide:sc= -6.24! C(o=-6.2!,f=-4.4!) USER MOD Single : A 51 GLN : amide:sc=-0.00826 X(o=-0.0083,f=-0.33) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.891 27.872 -8.414 1.00 0.00 N ATOM 2 CA GLY A 1 5.570 28.235 -7.935 1.00 0.00 C ATOM 3 C GLY A 1 5.115 27.370 -6.776 1.00 0.00 C ATOM 4 O GLY A 1 5.378 26.168 -6.749 1.00 0.00 O ATOM 0 H1 GLY A 1 6.890 27.854 -9.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.585 28.571 -8.080 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.145 26.931 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.574 29.280 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.854 28.148 -8.752 1.00 0.00 H new ATOM 8 N SER A 2 4.431 27.983 -5.815 1.00 0.00 N ATOM 9 CA SER A 2 3.944 27.263 -4.645 1.00 0.00 C ATOM 10 C SER A 2 2.481 27.599 -4.371 1.00 0.00 C ATOM 11 O SER A 2 2.150 28.725 -3.999 1.00 0.00 O ATOM 12 CB SER A 2 4.795 27.601 -3.420 1.00 0.00 C ATOM 13 OG SER A 2 4.639 26.624 -2.405 1.00 0.00 O ATOM 0 H SER A 2 4.202 28.977 -5.824 1.00 0.00 H new ATOM 0 HA SER A 2 4.022 26.195 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.844 27.666 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.510 28.580 -3.034 1.00 0.00 H new ATOM 0 HG SER A 2 5.195 26.862 -1.634 1.00 0.00 H new ATOM 19 N SER A 3 1.609 26.613 -4.557 1.00 0.00 N ATOM 20 CA SER A 3 0.181 26.804 -4.334 1.00 0.00 C ATOM 21 C SER A 3 -0.375 25.721 -3.413 1.00 0.00 C ATOM 22 O SER A 3 -0.574 24.580 -3.828 1.00 0.00 O ATOM 23 CB SER A 3 -0.571 26.791 -5.666 1.00 0.00 C ATOM 24 OG SER A 3 -0.297 25.608 -6.395 1.00 0.00 O ATOM 0 H SER A 3 1.867 25.674 -4.861 1.00 0.00 H new ATOM 0 HA SER A 3 0.040 27.773 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.643 26.869 -5.483 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.285 27.661 -6.257 1.00 0.00 H new ATOM 0 HG SER A 3 -0.292 24.841 -5.785 1.00 0.00 H new ATOM 30 N GLY A 4 -0.622 26.089 -2.159 1.00 0.00 N ATOM 31 CA GLY A 4 -1.152 25.139 -1.198 1.00 0.00 C ATOM 32 C GLY A 4 -0.252 23.932 -1.019 1.00 0.00 C ATOM 33 O GLY A 4 -0.212 23.047 -1.874 1.00 0.00 O ATOM 0 H GLY A 4 -0.465 27.028 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.285 25.635 -0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.138 24.808 -1.525 1.00 0.00 H new ATOM 37 N SER A 5 0.475 23.897 0.093 1.00 0.00 N ATOM 38 CA SER A 5 1.383 22.793 0.379 1.00 0.00 C ATOM 39 C SER A 5 0.719 21.766 1.290 1.00 0.00 C ATOM 40 O SER A 5 0.826 21.845 2.514 1.00 0.00 O ATOM 41 CB SER A 5 2.666 23.315 1.029 1.00 0.00 C ATOM 42 OG SER A 5 2.373 24.143 2.142 1.00 0.00 O ATOM 0 H SER A 5 0.453 24.621 0.811 1.00 0.00 H new ATOM 0 HA SER A 5 1.634 22.308 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.283 22.475 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.246 23.876 0.297 1.00 0.00 H new ATOM 0 HG SER A 5 1.723 23.694 2.722 1.00 0.00 H new ATOM 48 N SER A 6 0.034 20.801 0.684 1.00 0.00 N ATOM 49 CA SER A 6 -0.651 19.759 1.440 1.00 0.00 C ATOM 50 C SER A 6 -1.063 18.608 0.527 1.00 0.00 C ATOM 51 O SER A 6 -1.126 18.760 -0.692 1.00 0.00 O ATOM 52 CB SER A 6 -1.882 20.335 2.142 1.00 0.00 C ATOM 53 OG SER A 6 -1.533 20.929 3.380 1.00 0.00 O ATOM 0 H SER A 6 -0.061 20.719 -0.328 1.00 0.00 H new ATOM 0 HA SER A 6 0.039 19.375 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.356 21.077 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.613 19.544 2.308 1.00 0.00 H new ATOM 0 HG SER A 6 -0.659 21.365 3.299 1.00 0.00 H new ATOM 59 N GLY A 7 -1.343 17.456 1.129 1.00 0.00 N ATOM 60 CA GLY A 7 -1.746 16.295 0.356 1.00 0.00 C ATOM 61 C GLY A 7 -1.551 14.997 1.116 1.00 0.00 C ATOM 62 O GLY A 7 -1.402 15.002 2.337 1.00 0.00 O ATOM 0 H GLY A 7 -1.298 17.306 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.795 16.395 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.171 16.261 -0.569 1.00 0.00 H new ATOM 66 N ALA A 8 -1.556 13.883 0.391 1.00 0.00 N ATOM 67 CA ALA A 8 -1.378 12.573 1.004 1.00 0.00 C ATOM 68 C ALA A 8 -0.289 11.777 0.293 1.00 0.00 C ATOM 69 O ALA A 8 -0.180 11.815 -0.932 1.00 0.00 O ATOM 70 CB ALA A 8 -2.690 11.803 0.992 1.00 0.00 C ATOM 0 H ALA A 8 -1.681 13.862 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.066 12.722 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.543 10.826 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.443 12.358 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.026 11.672 -0.037 1.00 0.00 H new ATOM 76 N GLN A 9 0.515 11.058 1.070 1.00 0.00 N ATOM 77 CA GLN A 9 1.597 10.255 0.514 1.00 0.00 C ATOM 78 C GLN A 9 1.060 9.237 -0.487 1.00 0.00 C ATOM 79 O GLN A 9 -0.135 8.944 -0.507 1.00 0.00 O ATOM 80 CB GLN A 9 2.356 9.538 1.632 1.00 0.00 C ATOM 81 CG GLN A 9 3.256 10.456 2.442 1.00 0.00 C ATOM 82 CD GLN A 9 4.583 10.723 1.759 1.00 0.00 C ATOM 83 OE1 GLN A 9 4.745 11.724 1.061 1.00 0.00 O ATOM 84 NE2 GLN A 9 5.542 9.826 1.958 1.00 0.00 N ATOM 0 H GLN A 9 0.437 11.015 2.086 1.00 0.00 H new ATOM 0 HA GLN A 9 2.281 10.924 -0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.638 9.064 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.960 8.742 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.743 11.402 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.438 10.010 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.364 9.011 2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.457 9.953 1.524 1.00 0.00 H new ATOM 93 N GLU A 10 1.951 8.701 -1.315 1.00 0.00 N ATOM 94 CA GLU A 10 1.565 7.716 -2.318 1.00 0.00 C ATOM 95 C GLU A 10 2.101 6.333 -1.958 1.00 0.00 C ATOM 96 O GLU A 10 3.223 6.198 -1.470 1.00 0.00 O ATOM 97 CB GLU A 10 2.080 8.131 -3.698 1.00 0.00 C ATOM 98 CG GLU A 10 1.220 9.183 -4.378 1.00 0.00 C ATOM 99 CD GLU A 10 1.841 9.706 -5.658 1.00 0.00 C ATOM 100 OE1 GLU A 10 2.961 10.255 -5.594 1.00 0.00 O ATOM 101 OE2 GLU A 10 1.207 9.566 -6.725 1.00 0.00 O ATOM 0 H GLU A 10 2.944 8.932 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 10 0.476 7.669 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.096 8.514 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.133 7.249 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.241 8.758 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.058 10.014 -3.691 1.00 0.00 H new ATOM 108 N TYR A 11 1.290 5.309 -2.202 1.00 0.00 N ATOM 109 CA TYR A 11 1.680 3.937 -1.901 1.00 0.00 C ATOM 110 C TYR A 11 1.567 3.054 -3.140 1.00 0.00 C ATOM 111 O TYR A 11 0.582 3.121 -3.876 1.00 0.00 O ATOM 112 CB TYR A 11 0.810 3.372 -0.777 1.00 0.00 C ATOM 113 CG TYR A 11 1.107 3.972 0.578 1.00 0.00 C ATOM 114 CD1 TYR A 11 1.029 5.343 0.786 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.465 3.166 1.653 1.00 0.00 C ATOM 116 CE1 TYR A 11 1.301 5.895 2.023 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.737 3.709 2.893 1.00 0.00 C ATOM 118 CZ TYR A 11 1.654 5.074 3.073 1.00 0.00 C ATOM 119 OH TYR A 11 1.924 5.620 4.307 1.00 0.00 O ATOM 0 H TYR A 11 0.359 5.404 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 11 2.721 3.945 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.239 3.544 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.953 2.293 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.751 5.989 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.531 2.097 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.237 6.964 2.167 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.013 3.068 3.717 1.00 0.00 H new ATOM 0 HH TYR A 11 1.414 5.143 4.995 1.00 0.00 H new ATOM 129 N ARG A 12 2.583 2.227 -3.364 1.00 0.00 N ATOM 130 CA ARG A 12 2.599 1.331 -4.514 1.00 0.00 C ATOM 131 C ARG A 12 2.106 -0.060 -4.126 1.00 0.00 C ATOM 132 O ARG A 12 2.392 -0.548 -3.033 1.00 0.00 O ATOM 133 CB ARG A 12 4.011 1.239 -5.096 1.00 0.00 C ATOM 134 CG ARG A 12 4.055 0.642 -6.494 1.00 0.00 C ATOM 135 CD ARG A 12 5.437 0.778 -7.113 1.00 0.00 C ATOM 136 NE ARG A 12 6.444 0.016 -6.378 1.00 0.00 N ATOM 137 CZ ARG A 12 6.651 -1.284 -6.549 1.00 0.00 C ATOM 138 NH1 ARG A 12 5.926 -1.965 -7.426 1.00 0.00 N ATOM 139 NH2 ARG A 12 7.586 -1.907 -5.843 1.00 0.00 N ATOM 0 H ARG A 12 3.405 2.159 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 12 1.927 1.738 -5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.450 2.236 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.630 0.635 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.776 -0.411 -6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.321 1.140 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.406 0.435 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.723 1.830 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 12 7.020 0.510 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.207 -1.490 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.088 -2.964 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.147 -1.387 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.744 -2.906 -5.975 1.00 0.00 H new ATOM 153 N ALA A 13 1.363 -0.692 -5.028 1.00 0.00 N ATOM 154 CA ALA A 13 0.832 -2.027 -4.781 1.00 0.00 C ATOM 155 C ALA A 13 1.937 -3.077 -4.837 1.00 0.00 C ATOM 156 O ALA A 13 2.961 -2.881 -5.492 1.00 0.00 O ATOM 157 CB ALA A 13 -0.261 -2.355 -5.787 1.00 0.00 C ATOM 0 H ALA A 13 1.115 -0.301 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 13 0.404 -2.041 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.648 -3.355 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.069 -1.629 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.150 -2.317 -6.796 1.00 0.00 H new ATOM 163 N LEU A 14 1.724 -4.191 -4.145 1.00 0.00 N ATOM 164 CA LEU A 14 2.702 -5.272 -4.116 1.00 0.00 C ATOM 165 C LEU A 14 2.169 -6.509 -4.832 1.00 0.00 C ATOM 166 O LEU A 14 2.920 -7.229 -5.491 1.00 0.00 O ATOM 167 CB LEU A 14 3.062 -5.621 -2.670 1.00 0.00 C ATOM 168 CG LEU A 14 3.822 -4.548 -1.890 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.509 -4.646 -0.405 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.319 -4.672 -2.130 1.00 0.00 C ATOM 0 H LEU A 14 0.883 -4.369 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 14 3.598 -4.932 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.142 -5.849 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.662 -6.531 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 14 3.498 -3.570 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.059 -3.875 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.439 -4.506 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.804 -5.628 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.843 -3.900 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.660 -5.654 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.528 -4.551 -3.193 1.00 0.00 H new ATOM 182 N TYR A 15 0.869 -6.748 -4.700 1.00 0.00 N ATOM 183 CA TYR A 15 0.236 -7.898 -5.334 1.00 0.00 C ATOM 184 C TYR A 15 -1.121 -7.518 -5.920 1.00 0.00 C ATOM 185 O TYR A 15 -1.830 -6.672 -5.375 1.00 0.00 O ATOM 186 CB TYR A 15 0.067 -9.035 -4.325 1.00 0.00 C ATOM 187 CG TYR A 15 1.277 -9.245 -3.442 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.453 -9.775 -3.957 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.243 -8.913 -2.093 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.560 -9.970 -3.154 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.346 -9.103 -1.283 1.00 0.00 C ATOM 192 CZ TYR A 15 3.502 -9.632 -1.818 1.00 0.00 C ATOM 193 OH TYR A 15 4.603 -9.823 -1.015 1.00 0.00 O ATOM 0 H TYR A 15 0.233 -6.161 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 15 0.882 -8.234 -6.145 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.799 -8.827 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.145 -9.959 -4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.503 -10.039 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.339 -8.499 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.466 -10.385 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.303 -8.839 -0.237 1.00 0.00 H new ATOM 0 HH TYR A 15 4.396 -9.533 -0.102 1.00 0.00 H new ATOM 203 N ASP A 16 -1.475 -8.150 -7.033 1.00 0.00 N ATOM 204 CA ASP A 16 -2.747 -7.881 -7.694 1.00 0.00 C ATOM 205 C ASP A 16 -3.908 -8.468 -6.898 1.00 0.00 C ATOM 206 O ASP A 16 -4.056 -9.687 -6.805 1.00 0.00 O ATOM 207 CB ASP A 16 -2.741 -8.456 -9.111 1.00 0.00 C ATOM 208 CG ASP A 16 -2.016 -9.784 -9.194 1.00 0.00 C ATOM 209 OD1 ASP A 16 -2.269 -10.654 -8.334 1.00 0.00 O ATOM 210 OD2 ASP A 16 -1.196 -9.955 -10.120 1.00 0.00 O ATOM 0 H ASP A 16 -0.899 -8.852 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.878 -6.800 -7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.768 -8.584 -9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.267 -7.744 -9.787 1.00 0.00 H new ATOM 215 N TYR A 17 -4.727 -7.594 -6.324 1.00 0.00 N ATOM 216 CA TYR A 17 -5.873 -8.026 -5.532 1.00 0.00 C ATOM 217 C TYR A 17 -7.137 -8.074 -6.385 1.00 0.00 C ATOM 218 O TYR A 17 -7.193 -7.492 -7.469 1.00 0.00 O ATOM 219 CB TYR A 17 -6.082 -7.086 -4.344 1.00 0.00 C ATOM 220 CG TYR A 17 -7.361 -7.347 -3.583 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.441 -8.373 -2.649 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.492 -6.568 -3.797 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.608 -8.616 -1.952 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.663 -6.802 -3.103 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.717 -7.828 -2.182 1.00 0.00 C ATOM 226 OH TYR A 17 -10.881 -8.065 -1.489 1.00 0.00 O ATOM 0 H TYR A 17 -4.619 -6.582 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.668 -9.030 -5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.237 -7.183 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.086 -6.057 -4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.575 -8.991 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.455 -5.765 -4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.652 -9.419 -1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.532 -6.185 -3.280 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.565 -7.421 -1.768 1.00 0.00 H new ATOM 236 N THR A 18 -8.153 -8.772 -5.887 1.00 0.00 N ATOM 237 CA THR A 18 -9.417 -8.898 -6.601 1.00 0.00 C ATOM 238 C THR A 18 -10.599 -8.626 -5.678 1.00 0.00 C ATOM 239 O THR A 18 -10.919 -9.435 -4.808 1.00 0.00 O ATOM 240 CB THR A 18 -9.575 -10.300 -7.220 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.455 -10.593 -8.062 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.862 -10.393 -8.027 1.00 0.00 C ATOM 0 H THR A 18 -8.125 -9.259 -4.991 1.00 0.00 H new ATOM 0 HA THR A 18 -9.405 -8.156 -7.399 1.00 0.00 H new ATOM 0 HB THR A 18 -9.619 -11.028 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.562 -11.486 -8.450 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.952 -11.392 -8.454 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.714 -10.199 -7.376 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.843 -9.655 -8.829 1.00 0.00 H new ATOM 250 N ALA A 19 -11.246 -7.481 -5.875 1.00 0.00 N ATOM 251 CA ALA A 19 -12.396 -7.104 -5.062 1.00 0.00 C ATOM 252 C ALA A 19 -13.626 -7.923 -5.437 1.00 0.00 C ATOM 253 O ALA A 19 -13.988 -8.014 -6.610 1.00 0.00 O ATOM 254 CB ALA A 19 -12.683 -5.617 -5.212 1.00 0.00 C ATOM 0 H ALA A 19 -10.993 -6.799 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.157 -7.314 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.544 -5.349 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.814 -5.044 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.896 -5.391 -6.257 1.00 0.00 H new ATOM 260 N GLN A 20 -14.264 -8.517 -4.434 1.00 0.00 N ATOM 261 CA GLN A 20 -15.453 -9.330 -4.660 1.00 0.00 C ATOM 262 C GLN A 20 -16.677 -8.450 -4.894 1.00 0.00 C ATOM 263 O GLN A 20 -17.410 -8.636 -5.865 1.00 0.00 O ATOM 264 CB GLN A 20 -15.698 -10.257 -3.468 1.00 0.00 C ATOM 265 CG GLN A 20 -14.809 -11.490 -3.465 1.00 0.00 C ATOM 266 CD GLN A 20 -13.342 -11.153 -3.639 1.00 0.00 C ATOM 267 OE1 GLN A 20 -12.691 -10.665 -2.715 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.812 -11.412 -4.829 1.00 0.00 N ATOM 0 H GLN A 20 -13.978 -8.451 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.285 -9.934 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.536 -9.700 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.742 -10.571 -3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.945 -12.029 -2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.121 -12.160 -4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.388 -11.817 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.829 -11.206 -5.005 1.00 0.00 H new ATOM 277 N ASN A 21 -16.892 -7.493 -3.998 1.00 0.00 N ATOM 278 CA ASN A 21 -18.028 -6.585 -4.107 1.00 0.00 C ATOM 279 C ASN A 21 -17.714 -5.432 -5.057 1.00 0.00 C ATOM 280 O ASN A 21 -16.561 -5.041 -5.239 1.00 0.00 O ATOM 281 CB ASN A 21 -18.403 -6.036 -2.729 1.00 0.00 C ATOM 282 CG ASN A 21 -18.156 -7.041 -1.620 1.00 0.00 C ATOM 283 OD1 ASN A 21 -18.339 -8.244 -1.805 1.00 0.00 O ATOM 284 ND2 ASN A 21 -17.736 -6.550 -0.460 1.00 0.00 N ATOM 0 H ASN A 21 -16.295 -7.326 -3.188 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.872 -7.146 -4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.827 -5.132 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.455 -5.750 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.552 -7.178 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.598 -5.545 -0.352 1.00 0.00 H new ATOM 291 N PRO A 22 -18.764 -4.874 -5.677 1.00 0.00 N ATOM 292 CA PRO A 22 -18.627 -3.758 -6.618 1.00 0.00 C ATOM 293 C PRO A 22 -18.223 -2.462 -5.924 1.00 0.00 C ATOM 294 O PRO A 22 -18.036 -1.432 -6.572 1.00 0.00 O ATOM 295 CB PRO A 22 -20.028 -3.628 -7.221 1.00 0.00 C ATOM 296 CG PRO A 22 -20.939 -4.192 -6.187 1.00 0.00 C ATOM 297 CD PRO A 22 -20.167 -5.290 -5.508 1.00 0.00 C ATOM 0 HA PRO A 22 -17.846 -3.941 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.271 -2.588 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.107 -4.176 -8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.239 -3.426 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.851 -4.579 -6.640 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -20.436 -5.379 -4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.357 -6.259 -5.969 1.00 0.00 H new ATOM 305 N ASP A 23 -18.090 -2.520 -4.603 1.00 0.00 N ATOM 306 CA ASP A 23 -17.707 -1.350 -3.821 1.00 0.00 C ATOM 307 C ASP A 23 -16.189 -1.228 -3.735 1.00 0.00 C ATOM 308 O ASP A 23 -15.631 -0.150 -3.935 1.00 0.00 O ATOM 309 CB ASP A 23 -18.306 -1.431 -2.416 1.00 0.00 C ATOM 310 CG ASP A 23 -19.785 -1.763 -2.436 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.531 -1.102 -3.187 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.195 -2.685 -1.699 1.00 0.00 O ATOM 0 H ASP A 23 -18.242 -3.365 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.097 -0.464 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.774 -2.189 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.157 -0.480 -1.905 1.00 0.00 H new ATOM 317 N GLU A 24 -15.527 -2.341 -3.434 1.00 0.00 N ATOM 318 CA GLU A 24 -14.073 -2.357 -3.319 1.00 0.00 C ATOM 319 C GLU A 24 -13.417 -2.204 -4.688 1.00 0.00 C ATOM 320 O GLU A 24 -14.082 -2.293 -5.721 1.00 0.00 O ATOM 321 CB GLU A 24 -13.606 -3.657 -2.659 1.00 0.00 C ATOM 322 CG GLU A 24 -13.925 -3.736 -1.176 1.00 0.00 C ATOM 323 CD GLU A 24 -15.387 -3.463 -0.878 1.00 0.00 C ATOM 324 OE1 GLU A 24 -16.192 -4.415 -0.945 1.00 0.00 O ATOM 325 OE2 GLU A 24 -15.725 -2.299 -0.579 1.00 0.00 O ATOM 0 H GLU A 24 -15.974 -3.242 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.774 -1.514 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.072 -4.501 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.529 -3.758 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.661 -4.726 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.308 -3.017 -0.637 1.00 0.00 H new ATOM 332 N LEU A 25 -12.109 -1.974 -4.688 1.00 0.00 N ATOM 333 CA LEU A 25 -11.362 -1.808 -5.930 1.00 0.00 C ATOM 334 C LEU A 25 -10.301 -2.895 -6.077 1.00 0.00 C ATOM 335 O LEU A 25 -10.006 -3.620 -5.126 1.00 0.00 O ATOM 336 CB LEU A 25 -10.703 -0.428 -5.970 1.00 0.00 C ATOM 337 CG LEU A 25 -11.543 0.700 -6.571 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.833 2.035 -6.415 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.840 0.420 -8.037 1.00 0.00 C ATOM 0 H LEU A 25 -11.544 -1.898 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.062 -1.895 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.430 -0.148 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.776 -0.506 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.489 0.750 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.445 2.826 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.672 2.240 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.872 1.998 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.439 1.233 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.904 0.343 -8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.391 -0.516 -8.124 1.00 0.00 H new ATOM 351 N ASP A 26 -9.732 -3.001 -7.272 1.00 0.00 N ATOM 352 CA ASP A 26 -8.702 -3.997 -7.543 1.00 0.00 C ATOM 353 C ASP A 26 -7.319 -3.354 -7.574 1.00 0.00 C ATOM 354 O ASP A 26 -7.131 -2.287 -8.161 1.00 0.00 O ATOM 355 CB ASP A 26 -8.981 -4.701 -8.872 1.00 0.00 C ATOM 356 CG ASP A 26 -9.487 -3.749 -9.937 1.00 0.00 C ATOM 357 OD1 ASP A 26 -9.186 -2.540 -9.843 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.184 -4.211 -10.864 1.00 0.00 O ATOM 0 H ASP A 26 -9.966 -2.409 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.722 -4.733 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.068 -5.182 -9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.717 -5.489 -8.715 1.00 0.00 H new ATOM 363 N LEU A 27 -6.354 -4.008 -6.938 1.00 0.00 N ATOM 364 CA LEU A 27 -4.987 -3.500 -6.891 1.00 0.00 C ATOM 365 C LEU A 27 -4.104 -4.218 -7.907 1.00 0.00 C ATOM 366 O LEU A 27 -4.527 -5.189 -8.535 1.00 0.00 O ATOM 367 CB LEU A 27 -4.407 -3.668 -5.486 1.00 0.00 C ATOM 368 CG LEU A 27 -4.629 -2.500 -4.524 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.051 -2.819 -3.154 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.012 -1.225 -5.082 1.00 0.00 C ATOM 0 H LEU A 27 -6.492 -4.892 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.011 -2.440 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.838 -4.565 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.334 -3.840 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.702 -2.343 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.219 -1.976 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.539 -3.706 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.981 -3.003 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.179 -0.404 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.941 -1.370 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.473 -0.987 -6.040 1.00 0.00 H new ATOM 382 N SER A 28 -2.876 -3.735 -8.062 1.00 0.00 N ATOM 383 CA SER A 28 -1.933 -4.330 -9.002 1.00 0.00 C ATOM 384 C SER A 28 -0.517 -3.826 -8.743 1.00 0.00 C ATOM 385 O SER A 28 -0.248 -2.628 -8.824 1.00 0.00 O ATOM 386 CB SER A 28 -2.346 -4.010 -10.440 1.00 0.00 C ATOM 387 OG SER A 28 -3.238 -4.989 -10.944 1.00 0.00 O ATOM 0 H SER A 28 -2.510 -2.933 -7.549 1.00 0.00 H new ATOM 0 HA SER A 28 -1.947 -5.410 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.820 -3.029 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.460 -3.960 -11.073 1.00 0.00 H new ATOM 0 HG SER A 28 -3.868 -5.250 -10.241 1.00 0.00 H new ATOM 393 N ALA A 29 0.385 -4.751 -8.432 1.00 0.00 N ATOM 394 CA ALA A 29 1.775 -4.402 -8.163 1.00 0.00 C ATOM 395 C ALA A 29 2.318 -3.451 -9.224 1.00 0.00 C ATOM 396 O ALA A 29 2.497 -3.833 -10.380 1.00 0.00 O ATOM 397 CB ALA A 29 2.630 -5.659 -8.091 1.00 0.00 C ATOM 0 H ALA A 29 0.178 -5.747 -8.360 1.00 0.00 H new ATOM 0 HA ALA A 29 1.816 -3.892 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.665 -5.384 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.264 -6.303 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.574 -6.192 -9.040 1.00 0.00 H new ATOM 403 N GLY A 30 2.577 -2.210 -8.824 1.00 0.00 N ATOM 404 CA GLY A 30 3.095 -1.224 -9.753 1.00 0.00 C ATOM 405 C GLY A 30 2.232 0.020 -9.820 1.00 0.00 C ATOM 406 O GLY A 30 2.744 1.139 -9.846 1.00 0.00 O ATOM 0 H GLY A 30 2.437 -1.870 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.106 -0.945 -9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.166 -1.667 -10.746 1.00 0.00 H new ATOM 410 N ASP A 31 0.918 -0.175 -9.851 1.00 0.00 N ATOM 411 CA ASP A 31 -0.019 0.940 -9.916 1.00 0.00 C ATOM 412 C ASP A 31 0.206 1.909 -8.759 1.00 0.00 C ATOM 413 O ASP A 31 0.420 1.491 -7.620 1.00 0.00 O ATOM 414 CB ASP A 31 -1.460 0.426 -9.894 1.00 0.00 C ATOM 415 CG ASP A 31 -1.993 0.138 -11.283 1.00 0.00 C ATOM 416 OD1 ASP A 31 -2.029 1.073 -12.111 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.374 -1.022 -11.543 1.00 0.00 O ATOM 0 H ASP A 31 0.478 -1.095 -9.832 1.00 0.00 H new ATOM 0 HA ASP A 31 0.154 1.473 -10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.510 -0.482 -9.293 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.099 1.164 -9.409 1.00 0.00 H new ATOM 422 N ILE A 32 0.158 3.202 -9.059 1.00 0.00 N ATOM 423 CA ILE A 32 0.358 4.229 -8.043 1.00 0.00 C ATOM 424 C ILE A 32 -0.976 4.766 -7.535 1.00 0.00 C ATOM 425 O ILE A 32 -1.768 5.318 -8.301 1.00 0.00 O ATOM 426 CB ILE A 32 1.197 5.401 -8.585 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.486 4.881 -9.224 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.512 6.387 -7.470 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.548 4.497 -8.217 1.00 0.00 C ATOM 0 H ILE A 32 -0.017 3.564 -9.996 1.00 0.00 H new ATOM 0 HA ILE A 32 0.895 3.758 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 32 0.619 5.920 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.252 4.014 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.887 5.646 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.106 7.210 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.582 6.778 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.074 5.881 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.433 4.137 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.811 5.367 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.166 3.709 -7.568 1.00 0.00 H new ATOM 441 N LEU A 33 -1.218 4.602 -6.239 1.00 0.00 N ATOM 442 CA LEU A 33 -2.456 5.072 -5.627 1.00 0.00 C ATOM 443 C LEU A 33 -2.168 6.096 -4.534 1.00 0.00 C ATOM 444 O LEU A 33 -1.012 6.348 -4.196 1.00 0.00 O ATOM 445 CB LEU A 33 -3.239 3.894 -5.045 1.00 0.00 C ATOM 446 CG LEU A 33 -3.711 2.840 -6.048 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.651 1.765 -6.230 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.026 2.223 -5.594 1.00 0.00 C ATOM 0 H LEU A 33 -0.574 4.147 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.056 5.552 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.615 3.402 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.112 4.286 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.874 3.328 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.004 1.024 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.732 2.219 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.456 1.280 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.347 1.475 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.889 1.750 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.785 3.001 -5.515 1.00 0.00 H new ATOM 460 N GLU A 34 -3.228 6.681 -3.984 1.00 0.00 N ATOM 461 CA GLU A 34 -3.088 7.676 -2.928 1.00 0.00 C ATOM 462 C GLU A 34 -3.967 7.327 -1.731 1.00 0.00 C ATOM 463 O GLU A 34 -5.190 7.240 -1.848 1.00 0.00 O ATOM 464 CB GLU A 34 -3.454 9.066 -3.454 1.00 0.00 C ATOM 465 CG GLU A 34 -3.271 10.172 -2.429 1.00 0.00 C ATOM 466 CD GLU A 34 -4.060 11.421 -2.772 1.00 0.00 C ATOM 467 OE1 GLU A 34 -3.512 12.295 -3.476 1.00 0.00 O ATOM 468 OE2 GLU A 34 -5.226 11.524 -2.337 1.00 0.00 O ATOM 0 H GLU A 34 -4.192 6.483 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.047 7.680 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.842 9.287 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.492 9.058 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.580 9.809 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.213 10.424 -2.356 1.00 0.00 H new ATOM 475 N VAL A 35 -3.335 7.126 -0.578 1.00 0.00 N ATOM 476 CA VAL A 35 -4.058 6.786 0.641 1.00 0.00 C ATOM 477 C VAL A 35 -4.838 7.985 1.170 1.00 0.00 C ATOM 478 O VAL A 35 -4.301 9.087 1.283 1.00 0.00 O ATOM 479 CB VAL A 35 -3.102 6.285 1.740 1.00 0.00 C ATOM 480 CG1 VAL A 35 -3.871 5.967 3.013 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.328 5.068 1.256 1.00 0.00 C ATOM 0 H VAL A 35 -2.324 7.193 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.754 5.988 0.383 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.387 7.077 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.179 5.615 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.376 6.866 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.610 5.192 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.657 4.726 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.026 4.270 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.746 5.334 0.374 1.00 0.00 H new ATOM 491 N ILE A 36 -6.108 7.762 1.493 1.00 0.00 N ATOM 492 CA ILE A 36 -6.961 8.824 2.011 1.00 0.00 C ATOM 493 C ILE A 36 -7.146 8.693 3.519 1.00 0.00 C ATOM 494 O ILE A 36 -6.851 9.621 4.274 1.00 0.00 O ATOM 495 CB ILE A 36 -8.344 8.816 1.334 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.191 8.873 -0.188 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.184 9.982 1.831 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.781 10.235 -0.703 1.00 0.00 C ATOM 0 H ILE A 36 -6.568 6.856 1.405 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.462 9.767 1.788 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.855 7.889 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.449 8.138 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.136 8.588 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.159 9.962 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.317 9.901 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.680 10.920 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.692 10.202 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.534 10.972 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.821 10.515 -0.268 1.00 0.00 H new ATOM 510 N LEU A 37 -7.634 7.536 3.952 1.00 0.00 N ATOM 511 CA LEU A 37 -7.857 7.283 5.371 1.00 0.00 C ATOM 512 C LEU A 37 -7.432 5.866 5.745 1.00 0.00 C ATOM 513 O LEU A 37 -7.836 4.898 5.103 1.00 0.00 O ATOM 514 CB LEU A 37 -9.330 7.494 5.723 1.00 0.00 C ATOM 515 CG LEU A 37 -9.704 7.306 7.193 1.00 0.00 C ATOM 516 CD1 LEU A 37 -11.011 8.017 7.508 1.00 0.00 C ATOM 517 CD2 LEU A 37 -9.805 5.826 7.532 1.00 0.00 C ATOM 0 H LEU A 37 -7.883 6.758 3.341 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.250 7.988 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.613 8.503 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.927 6.805 5.126 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.918 7.747 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.260 7.871 8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.904 9.082 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.807 7.607 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.072 5.711 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.570 5.362 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.845 5.344 7.347 1.00 0.00 H new ATOM 529 N GLU A 38 -6.615 5.754 6.788 1.00 0.00 N ATOM 530 CA GLU A 38 -6.137 4.455 7.247 1.00 0.00 C ATOM 531 C GLU A 38 -7.204 3.745 8.075 1.00 0.00 C ATOM 532 O GLU A 38 -7.633 4.244 9.115 1.00 0.00 O ATOM 533 CB GLU A 38 -4.860 4.620 8.073 1.00 0.00 C ATOM 534 CG GLU A 38 -3.630 4.933 7.237 1.00 0.00 C ATOM 535 CD GLU A 38 -2.406 5.222 8.085 1.00 0.00 C ATOM 536 OE1 GLU A 38 -2.552 5.894 9.127 1.00 0.00 O ATOM 537 OE2 GLU A 38 -1.303 4.776 7.706 1.00 0.00 O ATOM 0 H GLU A 38 -6.271 6.546 7.330 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.917 3.846 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.008 5.419 8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.682 3.705 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.420 4.091 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.837 5.793 6.600 1.00 0.00 H new ATOM 544 N GLY A 39 -7.628 2.575 7.606 1.00 0.00 N ATOM 545 CA GLY A 39 -8.640 1.815 8.314 1.00 0.00 C ATOM 546 C GLY A 39 -8.067 1.026 9.475 1.00 0.00 C ATOM 547 O GLY A 39 -7.076 0.314 9.319 1.00 0.00 O ATOM 0 H GLY A 39 -7.288 2.141 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.407 2.495 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.128 1.131 7.620 1.00 0.00 H new ATOM 551 N GLU A 40 -8.692 1.153 10.641 1.00 0.00 N ATOM 552 CA GLU A 40 -8.235 0.448 11.833 1.00 0.00 C ATOM 553 C GLU A 40 -8.394 -1.061 11.666 1.00 0.00 C ATOM 554 O GLU A 40 -7.536 -1.837 12.086 1.00 0.00 O ATOM 555 CB GLU A 40 -9.013 0.921 13.062 1.00 0.00 C ATOM 556 CG GLU A 40 -8.714 0.119 14.318 1.00 0.00 C ATOM 557 CD GLU A 40 -7.408 0.524 14.972 1.00 0.00 C ATOM 558 OE1 GLU A 40 -6.342 0.100 14.479 1.00 0.00 O ATOM 559 OE2 GLU A 40 -7.451 1.265 15.976 1.00 0.00 O ATOM 0 H GLU A 40 -9.516 1.737 10.786 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.178 0.672 11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.781 1.970 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.081 0.863 12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.529 0.250 15.030 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.677 -0.941 14.067 1.00 0.00 H new ATOM 566 N ASP A 41 -9.499 -1.469 11.051 1.00 0.00 N ATOM 567 CA ASP A 41 -9.772 -2.884 10.828 1.00 0.00 C ATOM 568 C ASP A 41 -8.809 -3.467 9.799 1.00 0.00 C ATOM 569 O ASP A 41 -8.296 -4.572 9.970 1.00 0.00 O ATOM 570 CB ASP A 41 -11.215 -3.080 10.362 1.00 0.00 C ATOM 571 CG ASP A 41 -12.216 -2.895 11.486 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.872 -3.210 12.644 1.00 0.00 O ATOM 573 OD2 ASP A 41 -13.344 -2.436 11.207 1.00 0.00 O ATOM 0 H ASP A 41 -10.220 -0.840 10.698 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.629 -3.409 11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.435 -2.372 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.326 -4.080 9.942 1.00 0.00 H new ATOM 578 N GLY A 42 -8.568 -2.716 8.728 1.00 0.00 N ATOM 579 CA GLY A 42 -7.669 -3.176 7.686 1.00 0.00 C ATOM 580 C GLY A 42 -8.026 -2.617 6.323 1.00 0.00 C ATOM 581 O GLY A 42 -7.181 -2.553 5.431 1.00 0.00 O ATOM 0 H GLY A 42 -8.980 -1.797 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.648 -2.887 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.692 -4.265 7.646 1.00 0.00 H new ATOM 585 N TRP A 43 -9.281 -2.214 6.162 1.00 0.00 N ATOM 586 CA TRP A 43 -9.748 -1.659 4.897 1.00 0.00 C ATOM 587 C TRP A 43 -9.260 -0.226 4.717 1.00 0.00 C ATOM 588 O TRP A 43 -9.738 0.690 5.384 1.00 0.00 O ATOM 589 CB TRP A 43 -11.276 -1.702 4.831 1.00 0.00 C ATOM 590 CG TRP A 43 -11.820 -3.070 4.550 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.633 -3.811 5.360 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.589 -3.861 3.380 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.920 -5.015 4.764 1.00 0.00 N ATOM 594 CE2 TRP A 43 -12.293 -5.070 3.547 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.857 -3.666 2.205 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.284 -6.076 2.585 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.849 -4.665 1.251 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.560 -5.858 1.445 1.00 0.00 C ATOM 0 H TRP A 43 -9.993 -2.261 6.891 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.338 -2.266 4.090 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.684 -1.344 5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.619 -1.016 4.056 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.997 -3.496 6.327 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.505 -5.749 5.163 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.307 -2.750 2.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.829 -6.996 2.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.286 -4.525 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.536 -6.619 0.680 1.00 0.00 H new ATOM 609 N TRP A 44 -8.306 -0.041 3.812 1.00 0.00 N ATOM 610 CA TRP A 44 -7.753 1.282 3.545 1.00 0.00 C ATOM 611 C TRP A 44 -8.498 1.963 2.402 1.00 0.00 C ATOM 612 O TRP A 44 -8.851 1.325 1.410 1.00 0.00 O ATOM 613 CB TRP A 44 -6.264 1.177 3.209 1.00 0.00 C ATOM 614 CG TRP A 44 -5.397 0.966 4.413 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.733 0.303 5.558 1.00 0.00 C ATOM 616 CD2 TRP A 44 -4.051 1.421 4.590 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.677 0.319 6.437 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.633 0.997 5.867 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.158 2.143 3.794 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.362 1.274 6.363 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.897 2.417 4.288 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.508 1.983 5.563 1.00 0.00 C ATOM 0 H TRP A 44 -7.899 -0.790 3.251 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.874 1.887 4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.113 0.352 2.513 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.949 2.087 2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.688 -0.165 5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.672 -0.106 7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.448 2.481 2.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.061 0.941 7.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.199 2.975 3.681 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.515 2.213 5.921 1.00 0.00 H new ATOM 633 N THR A 45 -8.734 3.263 2.546 1.00 0.00 N ATOM 634 CA THR A 45 -9.438 4.030 1.526 1.00 0.00 C ATOM 635 C THR A 45 -8.459 4.704 0.571 1.00 0.00 C ATOM 636 O THR A 45 -7.810 5.689 0.924 1.00 0.00 O ATOM 637 CB THR A 45 -10.344 5.105 2.157 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.197 4.510 3.140 1.00 0.00 O ATOM 639 CG2 THR A 45 -11.188 5.792 1.094 1.00 0.00 C ATOM 0 H THR A 45 -8.448 3.807 3.360 1.00 0.00 H new ATOM 0 HA THR A 45 -10.056 3.324 0.971 1.00 0.00 H new ATOM 0 HB THR A 45 -9.709 5.852 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.928 4.033 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.820 6.547 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.535 6.268 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.815 5.054 0.594 1.00 0.00 H new ATOM 647 N VAL A 46 -8.357 4.167 -0.640 1.00 0.00 N ATOM 648 CA VAL A 46 -7.457 4.717 -1.647 1.00 0.00 C ATOM 649 C VAL A 46 -8.237 5.292 -2.825 1.00 0.00 C ATOM 650 O VAL A 46 -9.429 5.031 -2.978 1.00 0.00 O ATOM 651 CB VAL A 46 -6.476 3.650 -2.167 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.539 3.200 -1.057 1.00 0.00 C ATOM 653 CG2 VAL A 46 -7.235 2.467 -2.749 1.00 0.00 C ATOM 0 H VAL A 46 -8.886 3.351 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.892 5.514 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.873 4.091 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.853 2.446 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.970 4.055 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.121 2.776 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.526 1.723 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.864 2.023 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.859 2.806 -3.575 1.00 0.00 H new ATOM 663 N GLU A 47 -7.554 6.076 -3.654 1.00 0.00 N ATOM 664 CA GLU A 47 -8.184 6.687 -4.818 1.00 0.00 C ATOM 665 C GLU A 47 -7.664 6.062 -6.109 1.00 0.00 C ATOM 666 O GLU A 47 -6.460 5.871 -6.278 1.00 0.00 O ATOM 667 CB GLU A 47 -7.928 8.196 -4.830 1.00 0.00 C ATOM 668 CG GLU A 47 -8.730 8.941 -5.884 1.00 0.00 C ATOM 669 CD GLU A 47 -8.052 10.219 -6.337 1.00 0.00 C ATOM 670 OE1 GLU A 47 -8.081 11.208 -5.576 1.00 0.00 O ATOM 671 OE2 GLU A 47 -7.492 10.230 -7.454 1.00 0.00 O ATOM 0 H GLU A 47 -6.566 6.302 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.257 6.508 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.167 8.604 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.866 8.375 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.884 8.291 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.716 9.179 -5.484 1.00 0.00 H new ATOM 678 N ARG A 48 -8.582 5.744 -7.017 1.00 0.00 N ATOM 679 CA ARG A 48 -8.218 5.138 -8.292 1.00 0.00 C ATOM 680 C ARG A 48 -8.955 5.814 -9.445 1.00 0.00 C ATOM 681 O ARG A 48 -10.153 5.608 -9.634 1.00 0.00 O ATOM 682 CB ARG A 48 -8.533 3.641 -8.278 1.00 0.00 C ATOM 683 CG ARG A 48 -8.012 2.898 -9.498 1.00 0.00 C ATOM 684 CD ARG A 48 -6.602 2.376 -9.272 1.00 0.00 C ATOM 685 NE ARG A 48 -5.891 2.159 -10.529 1.00 0.00 N ATOM 686 CZ ARG A 48 -6.196 1.193 -11.389 1.00 0.00 C ATOM 687 NH1 ARG A 48 -7.195 0.361 -11.128 1.00 0.00 N ATOM 688 NH2 ARG A 48 -5.503 1.060 -12.512 1.00 0.00 N ATOM 0 H ARG A 48 -9.583 5.896 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.147 5.275 -8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.103 3.196 -7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.613 3.506 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.677 2.066 -9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.021 3.563 -10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.046 3.086 -8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.647 1.440 -8.715 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.118 2.783 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.731 0.462 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.428 -0.380 -11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.735 1.700 -12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.738 0.318 -13.171 1.00 0.00 H new ATOM 702 N ASN A 49 -8.230 6.621 -10.212 1.00 0.00 N ATOM 703 CA ASN A 49 -8.815 7.328 -11.346 1.00 0.00 C ATOM 704 C ASN A 49 -10.127 7.998 -10.950 1.00 0.00 C ATOM 705 O ASN A 49 -11.089 8.004 -11.718 1.00 0.00 O ATOM 706 CB ASN A 49 -9.052 6.361 -12.508 1.00 0.00 C ATOM 707 CG ASN A 49 -10.062 5.283 -12.166 1.00 0.00 C ATOM 708 OD1 ASN A 49 -11.256 5.555 -12.037 1.00 0.00 O ATOM 709 ND2 ASN A 49 -9.587 4.052 -12.019 1.00 0.00 N ATOM 0 H ASN A 49 -7.236 6.802 -10.069 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.115 8.101 -11.663 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.401 6.920 -13.377 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.107 5.895 -12.787 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.219 3.285 -11.790 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.590 3.873 -12.135 1.00 0.00 H new ATOM 716 N GLY A 50 -10.158 8.562 -9.747 1.00 0.00 N ATOM 717 CA GLY A 50 -11.357 9.227 -9.270 1.00 0.00 C ATOM 718 C GLY A 50 -12.263 8.299 -8.487 1.00 0.00 C ATOM 719 O GLY A 50 -12.994 8.738 -7.600 1.00 0.00 O ATOM 0 H GLY A 50 -9.375 8.571 -9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.074 10.070 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.906 9.633 -10.120 1.00 0.00 H new ATOM 723 N GLN A 51 -12.216 7.012 -8.816 1.00 0.00 N ATOM 724 CA GLN A 51 -13.042 6.020 -8.137 1.00 0.00 C ATOM 725 C GLN A 51 -12.489 5.709 -6.750 1.00 0.00 C ATOM 726 O GLN A 51 -11.283 5.530 -6.578 1.00 0.00 O ATOM 727 CB GLN A 51 -13.121 4.737 -8.967 1.00 0.00 C ATOM 728 CG GLN A 51 -14.033 4.851 -10.177 1.00 0.00 C ATOM 729 CD GLN A 51 -15.496 4.666 -9.825 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.863 3.719 -9.128 1.00 0.00 O ATOM 731 NE2 GLN A 51 -16.340 5.571 -10.304 1.00 0.00 N ATOM 0 H GLN A 51 -11.615 6.632 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.044 6.434 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.119 4.468 -9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.474 3.924 -8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.895 5.828 -10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.744 4.104 -10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.992 6.340 -10.877 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.336 5.498 -10.099 1.00 0.00 H new ATOM 740 N ARG A 52 -13.378 5.646 -5.765 1.00 0.00 N ATOM 741 CA ARG A 52 -12.979 5.358 -4.392 1.00 0.00 C ATOM 742 C ARG A 52 -13.234 3.894 -4.048 1.00 0.00 C ATOM 743 O ARG A 52 -14.340 3.386 -4.227 1.00 0.00 O ATOM 744 CB ARG A 52 -13.737 6.261 -3.418 1.00 0.00 C ATOM 745 CG ARG A 52 -12.981 6.536 -2.128 1.00 0.00 C ATOM 746 CD ARG A 52 -13.881 7.172 -1.080 1.00 0.00 C ATOM 747 NE ARG A 52 -14.915 6.251 -0.615 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.949 6.624 0.131 1.00 0.00 C ATOM 749 NH1 ARG A 52 -16.087 7.892 0.493 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.849 5.728 0.515 1.00 0.00 N ATOM 0 H ARG A 52 -14.380 5.790 -5.892 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.911 5.554 -4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.956 7.209 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.694 5.798 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.571 5.604 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.137 7.195 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.277 7.497 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.350 8.063 -1.497 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.839 5.268 -0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.398 8.584 0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.882 8.175 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.747 4.752 0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.643 6.015 1.088 1.00 0.00 H new ATOM 764 N GLY A 53 -12.201 3.219 -3.552 1.00 0.00 N ATOM 765 CA GLY A 53 -12.333 1.819 -3.192 1.00 0.00 C ATOM 766 C GLY A 53 -11.611 1.483 -1.902 1.00 0.00 C ATOM 767 O GLY A 53 -10.828 2.285 -1.392 1.00 0.00 O ATOM 0 H GLY A 53 -11.275 3.617 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.389 1.571 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.938 1.201 -3.998 1.00 0.00 H new ATOM 771 N PHE A 54 -11.875 0.293 -1.371 1.00 0.00 N ATOM 772 CA PHE A 54 -11.246 -0.147 -0.131 1.00 0.00 C ATOM 773 C PHE A 54 -10.385 -1.385 -0.367 1.00 0.00 C ATOM 774 O PHE A 54 -10.868 -2.407 -0.855 1.00 0.00 O ATOM 775 CB PHE A 54 -12.310 -0.446 0.927 1.00 0.00 C ATOM 776 CG PHE A 54 -13.287 0.677 1.129 1.00 0.00 C ATOM 777 CD1 PHE A 54 -14.279 0.927 0.195 1.00 0.00 C ATOM 778 CD2 PHE A 54 -13.211 1.484 2.253 1.00 0.00 C ATOM 779 CE1 PHE A 54 -15.180 1.959 0.379 1.00 0.00 C ATOM 780 CE2 PHE A 54 -14.109 2.517 2.442 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.094 2.756 1.503 1.00 0.00 C ATOM 0 H PHE A 54 -12.520 -0.383 -1.780 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.604 0.658 0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.856 -1.344 0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.817 -0.663 1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.349 0.308 -0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.442 1.304 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.950 2.142 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.041 3.137 3.323 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.795 3.565 1.648 1.00 0.00 H new ATOM 791 N VAL A 55 -9.107 -1.284 -0.018 1.00 0.00 N ATOM 792 CA VAL A 55 -8.178 -2.394 -0.191 1.00 0.00 C ATOM 793 C VAL A 55 -7.334 -2.605 1.061 1.00 0.00 C ATOM 794 O VAL A 55 -7.048 -1.672 1.811 1.00 0.00 O ATOM 795 CB VAL A 55 -7.243 -2.162 -1.394 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.051 -1.933 -2.662 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.312 -0.990 -1.125 1.00 0.00 C ATOM 0 H VAL A 55 -8.691 -0.445 0.386 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.780 -3.284 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.634 -3.055 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.374 -1.771 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.672 -2.807 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.687 -1.057 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.658 -0.840 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.901 -0.089 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.708 -1.200 -0.242 1.00 0.00 H new ATOM 807 N PRO A 56 -6.924 -3.861 1.294 1.00 0.00 N ATOM 808 CA PRO A 56 -6.106 -4.224 2.455 1.00 0.00 C ATOM 809 C PRO A 56 -4.687 -3.675 2.358 1.00 0.00 C ATOM 810 O PRO A 56 -4.036 -3.789 1.321 1.00 0.00 O ATOM 811 CB PRO A 56 -6.091 -5.754 2.413 1.00 0.00 C ATOM 812 CG PRO A 56 -6.325 -6.097 0.982 1.00 0.00 C ATOM 813 CD PRO A 56 -7.228 -5.023 0.442 1.00 0.00 C ATOM 0 HA PRO A 56 -6.507 -3.813 3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.138 -6.150 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.867 -6.175 3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.386 -6.131 0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.787 -7.080 0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.023 -4.816 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.278 -5.308 0.511 1.00 0.00 H new ATOM 821 N GLY A 57 -4.213 -3.078 3.448 1.00 0.00 N ATOM 822 CA GLY A 57 -2.873 -2.520 3.465 1.00 0.00 C ATOM 823 C GLY A 57 -1.811 -3.552 3.143 1.00 0.00 C ATOM 824 O GLY A 57 -0.811 -3.243 2.495 1.00 0.00 O ATOM 0 H GLY A 57 -4.733 -2.971 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.813 -1.705 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.673 -2.092 4.447 1.00 0.00 H new ATOM 828 N SER A 58 -2.027 -4.783 3.597 1.00 0.00 N ATOM 829 CA SER A 58 -1.078 -5.863 3.358 1.00 0.00 C ATOM 830 C SER A 58 -0.629 -5.880 1.900 1.00 0.00 C ATOM 831 O SER A 58 0.436 -6.405 1.573 1.00 0.00 O ATOM 832 CB SER A 58 -1.702 -7.210 3.726 1.00 0.00 C ATOM 833 OG SER A 58 -0.712 -8.137 4.137 1.00 0.00 O ATOM 0 H SER A 58 -2.851 -5.056 4.132 1.00 0.00 H new ATOM 0 HA SER A 58 -0.205 -5.691 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.429 -7.071 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.244 -7.609 2.869 1.00 0.00 H new ATOM 0 HG SER A 58 -1.137 -8.989 4.368 1.00 0.00 H new ATOM 839 N TYR A 59 -1.448 -5.301 1.029 1.00 0.00 N ATOM 840 CA TYR A 59 -1.137 -5.251 -0.395 1.00 0.00 C ATOM 841 C TYR A 59 -0.685 -3.852 -0.805 1.00 0.00 C ATOM 842 O TYR A 59 -0.931 -3.412 -1.928 1.00 0.00 O ATOM 843 CB TYR A 59 -2.357 -5.666 -1.219 1.00 0.00 C ATOM 844 CG TYR A 59 -2.733 -7.121 -1.053 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.148 -7.616 0.177 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.674 -8.001 -2.127 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.491 -8.945 0.333 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.017 -9.331 -1.980 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.424 -9.798 -0.748 1.00 0.00 C ATOM 850 OH TYR A 59 -3.767 -11.123 -0.597 1.00 0.00 O ATOM 0 H TYR A 59 -2.332 -4.860 1.284 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.322 -5.948 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.206 -5.045 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.158 -5.469 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.203 -6.950 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.355 -7.639 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.810 -9.314 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.967 -10.001 -2.825 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.666 -11.587 -1.454 1.00 0.00 H new ATOM 860 N LEU A 60 -0.022 -3.159 0.115 1.00 0.00 N ATOM 861 CA LEU A 60 0.467 -1.810 -0.149 1.00 0.00 C ATOM 862 C LEU A 60 1.907 -1.650 0.327 1.00 0.00 C ATOM 863 O LEU A 60 2.322 -2.280 1.299 1.00 0.00 O ATOM 864 CB LEU A 60 -0.428 -0.779 0.540 1.00 0.00 C ATOM 865 CG LEU A 60 -1.848 -0.647 -0.012 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.701 0.211 0.909 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.822 -0.061 -1.416 1.00 0.00 C ATOM 0 H LEU A 60 0.189 -3.509 1.050 1.00 0.00 H new ATOM 0 HA LEU A 60 0.440 -1.644 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.493 -1.033 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.057 0.195 0.475 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.291 -1.642 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.708 0.294 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.747 -0.249 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.260 1.205 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.841 0.026 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.360 0.926 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.247 -0.714 -2.072 1.00 0.00 H new ATOM 879 N GLU A 61 2.662 -0.802 -0.363 1.00 0.00 N ATOM 880 CA GLU A 61 4.056 -0.558 -0.009 1.00 0.00 C ATOM 881 C GLU A 61 4.316 0.934 0.181 1.00 0.00 C ATOM 882 O GLU A 61 4.256 1.713 -0.771 1.00 0.00 O ATOM 883 CB GLU A 61 4.985 -1.115 -1.090 1.00 0.00 C ATOM 884 CG GLU A 61 6.457 -1.048 -0.720 1.00 0.00 C ATOM 885 CD GLU A 61 6.925 -2.276 0.037 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.074 -2.957 0.645 1.00 0.00 O ATOM 887 OE2 GLU A 61 8.142 -2.554 0.022 1.00 0.00 O ATOM 0 H GLU A 61 2.333 -0.272 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 61 4.259 -1.068 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.716 -2.152 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.826 -0.561 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.051 -0.937 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.635 -0.161 -0.112 1.00 0.00 H new ATOM 894 N LYS A 62 4.605 1.325 1.417 1.00 0.00 N ATOM 895 CA LYS A 62 4.875 2.722 1.735 1.00 0.00 C ATOM 896 C LYS A 62 6.131 3.210 1.018 1.00 0.00 C ATOM 897 O LYS A 62 7.213 2.646 1.188 1.00 0.00 O ATOM 898 CB LYS A 62 5.035 2.901 3.246 1.00 0.00 C ATOM 899 CG LYS A 62 5.304 4.337 3.663 1.00 0.00 C ATOM 900 CD LYS A 62 5.683 4.429 5.132 1.00 0.00 C ATOM 901 CE LYS A 62 4.456 4.369 6.029 1.00 0.00 C ATOM 902 NZ LYS A 62 4.785 4.706 7.442 1.00 0.00 N ATOM 0 H LYS A 62 4.658 0.693 2.216 1.00 0.00 H new ATOM 0 HA LYS A 62 4.028 3.317 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.130 2.551 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.854 2.271 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.107 4.750 3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.418 4.943 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.361 3.614 5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.222 5.359 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.700 5.061 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.023 3.370 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.923 4.654 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.487 4.031 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.175 5.669 7.487 1.00 0.00 H new ATOM 916 N LEU A 63 5.980 4.260 0.219 1.00 0.00 N ATOM 917 CA LEU A 63 7.102 4.824 -0.522 1.00 0.00 C ATOM 918 C LEU A 63 7.766 5.948 0.267 1.00 0.00 C ATOM 919 O LEU A 63 7.326 7.097 0.221 1.00 0.00 O ATOM 920 CB LEU A 63 6.630 5.349 -1.879 1.00 0.00 C ATOM 921 CG LEU A 63 6.189 4.291 -2.891 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.365 4.925 -4.001 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.397 3.568 -3.469 1.00 0.00 C ATOM 0 H LEU A 63 5.092 4.738 0.068 1.00 0.00 H new ATOM 0 HA LEU A 63 7.835 4.033 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.798 6.033 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.438 5.932 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 63 5.566 3.560 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.060 4.157 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.480 5.396 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.964 5.677 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.063 2.819 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.046 4.287 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.948 3.080 -2.665 1.00 0.00 H new ATOM 935 N SER A 64 8.829 5.609 0.990 1.00 0.00 N ATOM 936 CA SER A 64 9.553 6.589 1.791 1.00 0.00 C ATOM 937 C SER A 64 10.240 7.618 0.899 1.00 0.00 C ATOM 938 O SER A 64 11.184 7.300 0.178 1.00 0.00 O ATOM 939 CB SER A 64 10.588 5.891 2.675 1.00 0.00 C ATOM 940 OG SER A 64 9.990 4.866 3.449 1.00 0.00 O ATOM 0 H SER A 64 9.208 4.663 1.037 1.00 0.00 H new ATOM 0 HA SER A 64 8.834 7.107 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.376 5.468 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.059 6.620 3.334 1.00 0.00 H new ATOM 0 HG SER A 64 10.673 4.434 4.004 1.00 0.00 H new ATOM 946 N GLY A 65 9.757 8.856 0.955 1.00 0.00 N ATOM 947 CA GLY A 65 10.335 9.915 0.148 1.00 0.00 C ATOM 948 C GLY A 65 9.444 11.138 0.071 1.00 0.00 C ATOM 949 O GLY A 65 8.725 11.348 -0.907 1.00 0.00 O ATOM 0 H GLY A 65 8.976 9.144 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.301 10.199 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.520 9.540 -0.859 1.00 0.00 H new ATOM 953 N PRO A 66 9.482 11.970 1.122 1.00 0.00 N ATOM 954 CA PRO A 66 8.676 13.192 1.194 1.00 0.00 C ATOM 955 C PRO A 66 9.148 14.257 0.209 1.00 0.00 C ATOM 956 O PRO A 66 8.373 15.117 -0.209 1.00 0.00 O ATOM 957 CB PRO A 66 8.880 13.668 2.634 1.00 0.00 C ATOM 958 CG PRO A 66 10.196 13.099 3.038 1.00 0.00 C ATOM 959 CD PRO A 66 10.315 11.782 2.321 1.00 0.00 C ATOM 0 HA PRO A 66 7.633 13.008 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.884 14.756 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.080 13.315 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.011 13.768 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.247 12.961 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.350 11.558 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.955 10.956 2.935 1.00 0.00 H new ATOM 967 N SER A 67 10.424 14.192 -0.157 1.00 0.00 N ATOM 968 CA SER A 67 11.001 15.153 -1.091 1.00 0.00 C ATOM 969 C SER A 67 10.413 14.974 -2.487 1.00 0.00 C ATOM 970 O SER A 67 9.971 13.885 -2.851 1.00 0.00 O ATOM 971 CB SER A 67 12.522 14.997 -1.141 1.00 0.00 C ATOM 972 OG SER A 67 12.888 13.747 -1.699 1.00 0.00 O ATOM 0 H SER A 67 11.078 13.485 0.178 1.00 0.00 H new ATOM 0 HA SER A 67 10.757 16.156 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.954 15.804 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.933 15.084 -0.135 1.00 0.00 H new ATOM 0 HG SER A 67 13.865 13.672 -1.722 1.00 0.00 H new ATOM 978 N SER A 68 10.412 16.052 -3.265 1.00 0.00 N ATOM 979 CA SER A 68 9.876 16.017 -4.620 1.00 0.00 C ATOM 980 C SER A 68 10.463 17.143 -5.466 1.00 0.00 C ATOM 981 O SER A 68 10.508 18.296 -5.040 1.00 0.00 O ATOM 982 CB SER A 68 8.350 16.128 -4.590 1.00 0.00 C ATOM 983 OG SER A 68 7.783 15.692 -5.814 1.00 0.00 O ATOM 0 H SER A 68 10.777 16.961 -2.979 1.00 0.00 H new ATOM 0 HA SER A 68 10.155 15.065 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.955 15.530 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.061 17.162 -4.399 1.00 0.00 H new ATOM 0 HG SER A 68 6.807 15.771 -5.769 1.00 0.00 H new ATOM 989 N GLY A 69 10.912 16.798 -6.669 1.00 0.00 N ATOM 990 CA GLY A 69 11.490 17.790 -7.557 1.00 0.00 C ATOM 991 C GLY A 69 12.487 17.187 -8.528 1.00 0.00 C ATOM 992 O GLY A 69 13.696 17.259 -8.310 1.00 0.00 O ATOM 0 H GLY A 69 10.886 15.850 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.694 18.281 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.984 18.560 -6.964 1.00 0.00 H new TER 996 GLY A 69