USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 667 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.253 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -155:sc= -1.25 (180deg=-2.87!) USER MOD Single : A 24 THR OG1 : rot 126:sc= -3.83 USER MOD Single : A 29 THR OG1 : rot -140:sc= -0.376 USER MOD Single : A 31 GLN : amide:sc= -2.92 K(o=-2.9,f=-5.7!) USER MOD Single : A 39 TYR OH : rot -30:sc= -5.12! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.5!) USER MOD Single : A 72 MET CE :methyl -153:sc= -0.0127 (180deg=-0.43) USER MOD Single : A 74 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.9!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.788 -1.103 8.729 1.00 0.00 N ATOM 2 CA GLY A 1 -16.557 -1.972 9.603 1.00 0.00 C ATOM 3 C GLY A 1 -15.647 -2.687 10.604 1.00 0.00 C ATOM 4 O GLY A 1 -15.117 -3.758 10.311 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.428 -0.630 8.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.293 -0.388 9.299 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.092 -1.668 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.304 -1.386 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.097 -2.708 9.007 1.00 0.00 H new ATOM 8 N SER A 2 -15.492 -2.066 11.764 1.00 0.00 N ATOM 9 CA SER A 2 -14.655 -2.630 12.809 1.00 0.00 C ATOM 10 C SER A 2 -14.680 -1.726 14.044 1.00 0.00 C ATOM 11 O SER A 2 -14.744 -2.212 15.172 1.00 0.00 O ATOM 12 CB SER A 2 -13.219 -2.823 12.321 1.00 0.00 C ATOM 13 OG SER A 2 -12.785 -4.173 12.456 1.00 0.00 O ATOM 0 H SER A 2 -15.932 -1.177 12.003 1.00 0.00 H new ATOM 0 HA SER A 2 -15.053 -3.609 13.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.148 -2.523 11.276 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.554 -2.170 12.886 1.00 0.00 H new ATOM 0 HG SER A 2 -11.864 -4.254 12.132 1.00 0.00 H new ATOM 19 N SER A 3 -14.627 -0.427 13.788 1.00 0.00 N ATOM 20 CA SER A 3 -14.642 0.549 14.864 1.00 0.00 C ATOM 21 C SER A 3 -15.476 1.765 14.456 1.00 0.00 C ATOM 22 O SER A 3 -16.421 2.136 15.151 1.00 0.00 O ATOM 23 CB SER A 3 -13.222 0.980 15.236 1.00 0.00 C ATOM 24 OG SER A 3 -12.558 1.625 14.152 1.00 0.00 O ATOM 0 H SER A 3 -14.574 -0.028 12.851 1.00 0.00 H new ATOM 0 HA SER A 3 -15.093 0.085 15.741 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.260 1.655 16.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.647 0.107 15.545 1.00 0.00 H new ATOM 0 HG SER A 3 -11.655 1.886 14.430 1.00 0.00 H new ATOM 30 N GLY A 4 -15.097 2.352 13.330 1.00 0.00 N ATOM 31 CA GLY A 4 -15.798 3.518 12.822 1.00 0.00 C ATOM 32 C GLY A 4 -15.103 4.810 13.257 1.00 0.00 C ATOM 33 O GLY A 4 -15.071 5.133 14.444 1.00 0.00 O ATOM 0 H GLY A 4 -14.313 2.041 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.843 3.474 11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.826 3.515 13.184 1.00 0.00 H new ATOM 37 N SER A 5 -14.562 5.514 12.273 1.00 0.00 N ATOM 38 CA SER A 5 -13.868 6.762 12.540 1.00 0.00 C ATOM 39 C SER A 5 -13.519 7.459 11.223 1.00 0.00 C ATOM 40 O SER A 5 -12.477 7.186 10.630 1.00 0.00 O ATOM 41 CB SER A 5 -12.603 6.524 13.366 1.00 0.00 C ATOM 42 OG SER A 5 -12.029 7.744 13.827 1.00 0.00 O ATOM 0 H SER A 5 -14.590 5.244 11.290 1.00 0.00 H new ATOM 0 HA SER A 5 -14.531 7.404 13.119 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.842 5.890 14.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.872 5.985 12.763 1.00 0.00 H new ATOM 0 HG SER A 5 -11.224 7.549 14.351 1.00 0.00 H new ATOM 48 N SER A 6 -14.411 8.344 10.804 1.00 0.00 N ATOM 49 CA SER A 6 -14.211 9.082 9.569 1.00 0.00 C ATOM 50 C SER A 6 -13.075 10.092 9.741 1.00 0.00 C ATOM 51 O SER A 6 -13.167 11.001 10.564 1.00 0.00 O ATOM 52 CB SER A 6 -15.494 9.795 9.138 1.00 0.00 C ATOM 53 OG SER A 6 -16.135 9.131 8.053 1.00 0.00 O ATOM 0 H SER A 6 -15.275 8.567 11.298 1.00 0.00 H new ATOM 0 HA SER A 6 -13.942 8.372 8.787 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.179 9.852 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.260 10.819 8.849 1.00 0.00 H new ATOM 0 HG SER A 6 -16.951 9.616 7.809 1.00 0.00 H new ATOM 59 N GLY A 7 -12.029 9.899 8.950 1.00 0.00 N ATOM 60 CA GLY A 7 -10.876 10.782 9.005 1.00 0.00 C ATOM 61 C GLY A 7 -9.660 10.060 9.587 1.00 0.00 C ATOM 62 O GLY A 7 -9.803 9.170 10.424 1.00 0.00 O ATOM 0 H GLY A 7 -11.956 9.144 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.643 11.145 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.111 11.655 9.614 1.00 0.00 H new ATOM 66 N SER A 8 -8.489 10.470 9.121 1.00 0.00 N ATOM 67 CA SER A 8 -7.248 9.873 9.585 1.00 0.00 C ATOM 68 C SER A 8 -6.597 10.772 10.638 1.00 0.00 C ATOM 69 O SER A 8 -7.072 11.878 10.895 1.00 0.00 O ATOM 70 CB SER A 8 -6.284 9.633 8.422 1.00 0.00 C ATOM 71 OG SER A 8 -6.187 10.768 7.566 1.00 0.00 O ATOM 0 H SER A 8 -8.374 11.208 8.427 1.00 0.00 H new ATOM 0 HA SER A 8 -7.480 8.907 10.034 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.297 9.389 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.620 8.771 7.845 1.00 0.00 H new ATOM 0 HG SER A 8 -5.561 10.575 6.837 1.00 0.00 H new ATOM 77 N GLU A 9 -5.520 10.265 11.219 1.00 0.00 N ATOM 78 CA GLU A 9 -4.798 11.008 12.238 1.00 0.00 C ATOM 79 C GLU A 9 -4.078 12.204 11.612 1.00 0.00 C ATOM 80 O GLU A 9 -2.870 12.155 11.381 1.00 0.00 O ATOM 81 CB GLU A 9 -3.815 10.104 12.983 1.00 0.00 C ATOM 82 CG GLU A 9 -4.426 9.585 14.286 1.00 0.00 C ATOM 83 CD GLU A 9 -3.337 9.144 15.265 1.00 0.00 C ATOM 84 OE1 GLU A 9 -2.725 8.088 14.996 1.00 0.00 O ATOM 85 OE2 GLU A 9 -3.140 9.873 16.261 1.00 0.00 O ATOM 0 H GLU A 9 -5.129 9.348 11.003 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.518 11.382 12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.536 9.263 12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.901 10.656 13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.036 10.365 14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.089 8.747 14.072 1.00 0.00 H new ATOM 92 N GLU A 10 -4.848 13.251 11.355 1.00 0.00 N ATOM 93 CA GLU A 10 -4.299 14.457 10.761 1.00 0.00 C ATOM 94 C GLU A 10 -3.467 14.108 9.524 1.00 0.00 C ATOM 95 O GLU A 10 -2.291 13.766 9.639 1.00 0.00 O ATOM 96 CB GLU A 10 -3.466 15.240 11.778 1.00 0.00 C ATOM 97 CG GLU A 10 -3.174 16.655 11.276 1.00 0.00 C ATOM 98 CD GLU A 10 -1.680 16.846 11.011 1.00 0.00 C ATOM 99 OE1 GLU A 10 -1.154 16.098 10.159 1.00 0.00 O ATOM 100 OE2 GLU A 10 -1.096 17.735 11.668 1.00 0.00 O ATOM 0 H GLU A 10 -5.849 13.289 11.548 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.127 15.095 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.999 15.290 12.728 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.529 14.716 11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.736 16.843 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.512 17.383 12.013 1.00 0.00 H new ATOM 107 N ASP A 11 -4.111 14.207 8.370 1.00 0.00 N ATOM 108 CA ASP A 11 -3.446 13.906 7.114 1.00 0.00 C ATOM 109 C ASP A 11 -2.499 15.054 6.756 1.00 0.00 C ATOM 110 O ASP A 11 -2.799 16.217 7.022 1.00 0.00 O ATOM 111 CB ASP A 11 -4.458 13.756 5.977 1.00 0.00 C ATOM 112 CG ASP A 11 -5.597 14.778 5.986 1.00 0.00 C ATOM 113 OD1 ASP A 11 -6.470 14.647 6.870 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.568 15.667 5.107 1.00 0.00 O ATOM 0 H ASP A 11 -5.086 14.491 8.279 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.901 12.970 7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.929 13.833 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.888 12.755 6.023 1.00 0.00 H new ATOM 119 N ASP A 12 -1.375 14.686 6.158 1.00 0.00 N ATOM 120 CA ASP A 12 -0.383 15.670 5.761 1.00 0.00 C ATOM 121 C ASP A 12 -0.278 15.695 4.235 1.00 0.00 C ATOM 122 O ASP A 12 -1.045 15.025 3.545 1.00 0.00 O ATOM 123 CB ASP A 12 0.996 15.320 6.324 1.00 0.00 C ATOM 124 CG ASP A 12 1.565 16.334 7.319 1.00 0.00 C ATOM 125 OD1 ASP A 12 0.956 17.420 7.433 1.00 0.00 O ATOM 126 OD2 ASP A 12 2.596 16.000 7.942 1.00 0.00 O ATOM 0 H ASP A 12 -1.130 13.720 5.939 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.696 16.639 6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.936 14.348 6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.695 15.216 5.494 1.00 0.00 H new ATOM 131 N GLU A 13 0.678 16.475 3.751 1.00 0.00 N ATOM 132 CA GLU A 13 0.893 16.596 2.319 1.00 0.00 C ATOM 133 C GLU A 13 1.598 15.350 1.782 1.00 0.00 C ATOM 134 O GLU A 13 1.479 15.025 0.601 1.00 0.00 O ATOM 135 CB GLU A 13 1.687 17.861 1.989 1.00 0.00 C ATOM 136 CG GLU A 13 0.787 19.098 2.026 1.00 0.00 C ATOM 137 CD GLU A 13 1.382 20.234 1.191 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.574 20.539 1.414 1.00 0.00 O ATOM 139 OE2 GLU A 13 0.632 20.771 0.348 1.00 0.00 O ATOM 0 H GLU A 13 1.313 17.030 4.326 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.078 16.679 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.503 17.979 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.138 17.764 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.203 18.843 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.659 19.428 3.057 1.00 0.00 H new ATOM 146 N VAL A 14 2.319 14.685 2.673 1.00 0.00 N ATOM 147 CA VAL A 14 3.044 13.482 2.303 1.00 0.00 C ATOM 148 C VAL A 14 2.055 12.326 2.136 1.00 0.00 C ATOM 149 O VAL A 14 2.127 11.579 1.162 1.00 0.00 O ATOM 150 CB VAL A 14 4.135 13.190 3.335 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.525 12.797 4.682 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.092 12.108 2.830 1.00 0.00 C ATOM 0 H VAL A 14 2.416 14.957 3.651 1.00 0.00 H new ATOM 0 HA VAL A 14 3.548 13.620 1.346 1.00 0.00 H new ATOM 0 HB VAL A 14 4.710 14.104 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.322 12.595 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.904 13.613 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.914 11.903 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.858 11.920 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.536 11.190 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.565 12.443 1.907 1.00 0.00 H new ATOM 162 N VAL A 15 1.154 12.217 3.101 1.00 0.00 N ATOM 163 CA VAL A 15 0.151 11.166 3.074 1.00 0.00 C ATOM 164 C VAL A 15 -0.770 11.377 1.871 1.00 0.00 C ATOM 165 O VAL A 15 -0.904 10.495 1.024 1.00 0.00 O ATOM 166 CB VAL A 15 -0.603 11.126 4.405 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.964 10.447 4.243 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.230 10.435 5.486 1.00 0.00 C ATOM 0 H VAL A 15 1.098 12.840 3.907 1.00 0.00 H new ATOM 0 HA VAL A 15 0.623 10.191 2.955 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.777 12.154 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.479 10.432 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.562 11.000 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.821 9.425 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.329 10.420 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.450 9.413 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.163 10.979 5.629 1.00 0.00 H new ATOM 178 N ALA A 16 -1.382 12.551 1.834 1.00 0.00 N ATOM 179 CA ALA A 16 -2.287 12.890 0.749 1.00 0.00 C ATOM 180 C ALA A 16 -1.695 12.402 -0.575 1.00 0.00 C ATOM 181 O ALA A 16 -2.427 11.988 -1.472 1.00 0.00 O ATOM 182 CB ALA A 16 -2.546 14.398 0.751 1.00 0.00 C ATOM 0 H ALA A 16 -1.269 13.280 2.538 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.248 12.394 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.225 14.652 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.994 14.689 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.604 14.929 0.616 1.00 0.00 H new ATOM 188 N MET A 17 -0.374 12.467 -0.655 1.00 0.00 N ATOM 189 CA MET A 17 0.326 12.037 -1.853 1.00 0.00 C ATOM 190 C MET A 17 0.242 10.519 -2.022 1.00 0.00 C ATOM 191 O MET A 17 -0.276 10.030 -3.025 1.00 0.00 O ATOM 192 CB MET A 17 1.793 12.462 -1.768 1.00 0.00 C ATOM 193 CG MET A 17 2.240 13.151 -3.059 1.00 0.00 C ATOM 194 SD MET A 17 3.976 13.557 -2.964 1.00 0.00 S ATOM 195 CE MET A 17 4.003 14.444 -1.416 1.00 0.00 C ATOM 0 H MET A 17 0.230 12.811 0.091 1.00 0.00 H new ATOM 0 HA MET A 17 -0.147 12.506 -2.716 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.931 13.138 -0.924 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.418 11.589 -1.582 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.057 12.498 -3.912 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.654 14.056 -3.219 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.850 15.130 -1.404 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.077 15.009 -1.304 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.098 13.736 -0.593 1.00 0.00 H new ATOM 205 N ILE A 18 0.761 9.815 -1.026 1.00 0.00 N ATOM 206 CA ILE A 18 0.751 8.362 -1.052 1.00 0.00 C ATOM 207 C ILE A 18 -0.672 7.871 -1.325 1.00 0.00 C ATOM 208 O ILE A 18 -0.882 7.011 -2.179 1.00 0.00 O ATOM 209 CB ILE A 18 1.360 7.800 0.234 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.839 8.175 0.350 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.144 6.288 0.327 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.195 8.562 1.787 1.00 0.00 C ATOM 0 H ILE A 18 1.191 10.224 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 18 1.377 7.990 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 18 0.845 8.252 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.457 7.335 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.061 9.006 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.586 5.913 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.076 6.072 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.616 5.800 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.252 8.824 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.593 9.417 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.995 7.721 2.451 1.00 0.00 H new ATOM 224 N LYS A 19 -1.612 8.437 -0.583 1.00 0.00 N ATOM 225 CA LYS A 19 -3.009 8.067 -0.734 1.00 0.00 C ATOM 226 C LYS A 19 -3.366 8.038 -2.222 1.00 0.00 C ATOM 227 O LYS A 19 -3.894 7.044 -2.717 1.00 0.00 O ATOM 228 CB LYS A 19 -3.901 8.994 0.094 1.00 0.00 C ATOM 229 CG LYS A 19 -4.346 8.312 1.390 1.00 0.00 C ATOM 230 CD LYS A 19 -5.081 9.296 2.303 1.00 0.00 C ATOM 231 CE LYS A 19 -5.289 8.700 3.696 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.538 9.217 4.300 1.00 0.00 N ATOM 0 H LYS A 19 -1.434 9.149 0.125 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.182 7.064 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.361 9.911 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.776 9.280 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.998 7.470 1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.477 7.908 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.510 10.221 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.046 9.553 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.333 7.613 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.440 8.947 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.664 8.802 5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.482 10.252 4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.347 8.960 3.699 1.00 0.00 H new ATOM 246 N GLU A 20 -3.063 9.140 -2.892 1.00 0.00 N ATOM 247 CA GLU A 20 -3.346 9.253 -4.313 1.00 0.00 C ATOM 248 C GLU A 20 -2.774 8.049 -5.065 1.00 0.00 C ATOM 249 O GLU A 20 -3.522 7.250 -5.625 1.00 0.00 O ATOM 250 CB GLU A 20 -2.797 10.564 -4.879 1.00 0.00 C ATOM 251 CG GLU A 20 -3.934 11.513 -5.265 1.00 0.00 C ATOM 252 CD GLU A 20 -4.713 11.967 -4.029 1.00 0.00 C ATOM 253 OE1 GLU A 20 -4.248 12.935 -3.389 1.00 0.00 O ATOM 254 OE2 GLU A 20 -5.756 11.336 -3.752 1.00 0.00 O ATOM 0 H GLU A 20 -2.624 9.962 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.427 9.262 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.154 11.042 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.179 10.357 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.527 12.382 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.608 11.014 -5.961 1.00 0.00 H new ATOM 261 N LEU A 21 -1.452 7.958 -5.053 1.00 0.00 N ATOM 262 CA LEU A 21 -0.771 6.866 -5.727 1.00 0.00 C ATOM 263 C LEU A 21 -1.367 5.535 -5.263 1.00 0.00 C ATOM 264 O LEU A 21 -1.243 4.522 -5.949 1.00 0.00 O ATOM 265 CB LEU A 21 0.741 6.968 -5.521 1.00 0.00 C ATOM 266 CG LEU A 21 1.582 7.129 -6.789 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.062 7.312 -6.445 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.357 5.958 -7.748 1.00 0.00 C ATOM 0 H LEU A 21 -0.835 8.623 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.927 6.927 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.942 7.816 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.077 6.073 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 21 1.256 8.033 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.638 7.424 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.185 8.203 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.419 6.440 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.966 6.097 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.639 5.026 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.305 5.915 -8.030 1.00 0.00 H new ATOM 280 N LEU A 22 -2.001 5.581 -4.100 1.00 0.00 N ATOM 281 CA LEU A 22 -2.616 4.392 -3.536 1.00 0.00 C ATOM 282 C LEU A 22 -4.009 4.207 -4.141 1.00 0.00 C ATOM 283 O LEU A 22 -4.488 3.082 -4.273 1.00 0.00 O ATOM 284 CB LEU A 22 -2.614 4.461 -2.008 1.00 0.00 C ATOM 285 CG LEU A 22 -1.390 3.864 -1.311 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.715 2.496 -0.709 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.193 3.802 -2.262 1.00 0.00 C ATOM 0 H LEU A 22 -2.102 6.423 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.036 3.506 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.703 5.506 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.503 3.949 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.112 4.521 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.828 2.094 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.517 2.601 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.032 1.817 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.664 3.374 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.443 3.180 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.055 4.808 -2.601 1.00 0.00 H new ATOM 299 N ASP A 23 -4.619 5.329 -4.494 1.00 0.00 N ATOM 300 CA ASP A 23 -5.948 5.306 -5.082 1.00 0.00 C ATOM 301 C ASP A 23 -5.826 5.197 -6.603 1.00 0.00 C ATOM 302 O ASP A 23 -6.640 4.540 -7.249 1.00 0.00 O ATOM 303 CB ASP A 23 -6.716 6.589 -4.759 1.00 0.00 C ATOM 304 CG ASP A 23 -7.771 6.452 -3.660 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.365 5.356 -3.577 1.00 0.00 O ATOM 306 OD2 ASP A 23 -7.960 7.447 -2.928 1.00 0.00 O ATOM 0 H ASP A 23 -4.217 6.260 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.485 4.452 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.002 7.357 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.204 6.941 -5.668 1.00 0.00 H new ATOM 311 N THR A 24 -4.801 5.851 -7.130 1.00 0.00 N ATOM 312 CA THR A 24 -4.562 5.837 -8.563 1.00 0.00 C ATOM 313 C THR A 24 -4.886 4.459 -9.144 1.00 0.00 C ATOM 314 O THR A 24 -6.015 4.207 -9.562 1.00 0.00 O ATOM 315 CB THR A 24 -3.116 6.274 -8.806 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.379 5.625 -7.773 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.902 7.764 -8.536 1.00 0.00 C ATOM 0 H THR A 24 -4.127 6.394 -6.590 1.00 0.00 H new ATOM 0 HA THR A 24 -5.219 6.536 -9.080 1.00 0.00 H new ATOM 0 HB THR A 24 -2.836 6.048 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.648 5.106 -8.169 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.860 8.022 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.544 8.349 -9.194 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.149 7.985 -7.498 1.00 0.00 H new ATOM 325 N ARG A 25 -3.875 3.603 -9.151 1.00 0.00 N ATOM 326 CA ARG A 25 -4.038 2.257 -9.674 1.00 0.00 C ATOM 327 C ARG A 25 -3.344 1.245 -8.759 1.00 0.00 C ATOM 328 O ARG A 25 -2.695 0.315 -9.236 1.00 0.00 O ATOM 329 CB ARG A 25 -3.459 2.140 -11.085 1.00 0.00 C ATOM 330 CG ARG A 25 -4.468 2.614 -12.133 1.00 0.00 C ATOM 331 CD ARG A 25 -4.253 1.895 -13.466 1.00 0.00 C ATOM 332 NE ARG A 25 -3.951 2.879 -14.529 1.00 0.00 N ATOM 333 CZ ARG A 25 -3.571 2.550 -15.771 1.00 0.00 C ATOM 334 NH1 ARG A 25 -3.444 1.261 -16.114 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.318 3.510 -16.671 1.00 0.00 N ATOM 0 H ARG A 25 -2.940 3.815 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.106 2.044 -9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.548 2.733 -11.158 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.182 1.105 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.481 2.431 -11.776 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.370 3.690 -12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.434 1.182 -13.376 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.144 1.325 -13.729 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.038 3.870 -14.302 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.637 0.530 -15.429 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.155 1.011 -17.060 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.415 4.491 -16.411 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.029 3.259 -17.616 1.00 0.00 H new ATOM 349 N ILE A 26 -3.504 1.460 -7.462 1.00 0.00 N ATOM 350 CA ILE A 26 -2.901 0.578 -6.477 1.00 0.00 C ATOM 351 C ILE A 26 -4.005 -0.154 -5.711 1.00 0.00 C ATOM 352 O ILE A 26 -4.029 -1.383 -5.674 1.00 0.00 O ATOM 353 CB ILE A 26 -1.941 1.358 -5.577 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.627 1.654 -6.302 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.713 0.625 -4.253 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.413 2.233 -5.340 1.00 0.00 C ATOM 0 H ILE A 26 -4.043 2.232 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.294 -0.183 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.400 2.318 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.242 0.739 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.807 2.357 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.027 1.201 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.664 0.510 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.286 -0.358 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.337 2.434 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.035 3.161 -4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.609 1.517 -4.542 1.00 0.00 H new ATOM 368 N ARG A 27 -4.891 0.632 -5.117 1.00 0.00 N ATOM 369 CA ARG A 27 -5.994 0.074 -4.354 1.00 0.00 C ATOM 370 C ARG A 27 -7.035 -0.536 -5.295 1.00 0.00 C ATOM 371 O ARG A 27 -7.476 -1.666 -5.089 1.00 0.00 O ATOM 372 CB ARG A 27 -6.663 1.145 -3.490 1.00 0.00 C ATOM 373 CG ARG A 27 -8.182 0.959 -3.465 1.00 0.00 C ATOM 374 CD ARG A 27 -8.846 1.993 -2.553 1.00 0.00 C ATOM 375 NE ARG A 27 -9.871 1.340 -1.710 1.00 0.00 N ATOM 376 CZ ARG A 27 -10.839 1.999 -1.057 1.00 0.00 C ATOM 377 NH1 ARG A 27 -10.918 3.333 -1.148 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.726 1.323 -0.315 1.00 0.00 N ATOM 0 H ARG A 27 -4.867 1.651 -5.149 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.589 -0.701 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.270 1.096 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.420 2.134 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.580 1.051 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.423 -0.046 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.095 2.470 -1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.304 2.779 -3.154 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.839 0.324 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.242 3.847 -1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.654 3.835 -0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.665 0.307 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.462 1.824 0.182 1.00 0.00 H new ATOM 392 N PRO A 28 -7.407 0.259 -6.334 1.00 0.00 N ATOM 393 CA PRO A 28 -8.388 -0.191 -7.307 1.00 0.00 C ATOM 394 C PRO A 28 -7.779 -1.218 -8.265 1.00 0.00 C ATOM 395 O PRO A 28 -8.477 -1.769 -9.114 1.00 0.00 O ATOM 396 CB PRO A 28 -8.854 1.073 -8.009 1.00 0.00 C ATOM 397 CG PRO A 28 -7.789 2.121 -7.731 1.00 0.00 C ATOM 398 CD PRO A 28 -6.906 1.602 -6.609 1.00 0.00 C ATOM 0 HA PRO A 28 -9.230 -0.708 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.967 0.906 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.825 1.394 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.197 2.310 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.250 3.067 -7.448 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.858 1.580 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.973 2.238 -5.726 1.00 0.00 H new ATOM 406 N THR A 29 -6.484 -1.442 -8.095 1.00 0.00 N ATOM 407 CA THR A 29 -5.774 -2.393 -8.934 1.00 0.00 C ATOM 408 C THR A 29 -5.674 -3.750 -8.235 1.00 0.00 C ATOM 409 O THR A 29 -5.935 -4.786 -8.844 1.00 0.00 O ATOM 410 CB THR A 29 -4.413 -1.788 -9.285 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.697 -0.891 -10.356 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.458 -2.813 -9.900 1.00 0.00 C ATOM 0 H THR A 29 -5.909 -0.982 -7.390 1.00 0.00 H new ATOM 0 HA THR A 29 -6.312 -2.581 -9.863 1.00 0.00 H new ATOM 0 HB THR A 29 -3.962 -1.364 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.983 -0.944 -11.025 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.507 -2.332 -10.130 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.292 -3.626 -9.193 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.894 -3.213 -10.816 1.00 0.00 H new ATOM 420 N VAL A 30 -5.294 -3.700 -6.967 1.00 0.00 N ATOM 421 CA VAL A 30 -5.156 -4.913 -6.179 1.00 0.00 C ATOM 422 C VAL A 30 -6.436 -5.743 -6.300 1.00 0.00 C ATOM 423 O VAL A 30 -6.387 -6.915 -6.670 1.00 0.00 O ATOM 424 CB VAL A 30 -4.807 -4.560 -4.732 1.00 0.00 C ATOM 425 CG1 VAL A 30 -4.721 -5.819 -3.866 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.507 -3.756 -4.662 1.00 0.00 C ATOM 0 H VAL A 30 -5.077 -2.839 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.336 -5.523 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.608 -3.936 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.472 -5.540 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.681 -6.335 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.949 -6.480 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.282 -3.518 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.692 -4.344 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.620 -2.832 -5.229 1.00 0.00 H new ATOM 436 N GLN A 31 -7.551 -5.103 -5.981 1.00 0.00 N ATOM 437 CA GLN A 31 -8.841 -5.767 -6.050 1.00 0.00 C ATOM 438 C GLN A 31 -8.934 -6.618 -7.318 1.00 0.00 C ATOM 439 O GLN A 31 -9.270 -7.799 -7.254 1.00 0.00 O ATOM 440 CB GLN A 31 -9.985 -4.752 -5.986 1.00 0.00 C ATOM 441 CG GLN A 31 -10.295 -4.367 -4.538 1.00 0.00 C ATOM 442 CD GLN A 31 -9.592 -3.064 -4.155 1.00 0.00 C ATOM 443 OE1 GLN A 31 -8.628 -3.045 -3.407 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.126 -1.978 -4.707 1.00 0.00 N ATOM 0 H GLN A 31 -7.588 -4.131 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.934 -6.426 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.718 -3.861 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.876 -5.172 -6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.372 -4.255 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.976 -5.167 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.933 -2.064 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.728 -1.059 -4.513 1.00 0.00 H new ATOM 453 N GLU A 32 -8.628 -5.984 -8.441 1.00 0.00 N ATOM 454 CA GLU A 32 -8.673 -6.669 -9.722 1.00 0.00 C ATOM 455 C GLU A 32 -7.938 -8.008 -9.634 1.00 0.00 C ATOM 456 O GLU A 32 -8.390 -9.006 -10.194 1.00 0.00 O ATOM 457 CB GLU A 32 -8.087 -5.794 -10.831 1.00 0.00 C ATOM 458 CG GLU A 32 -8.919 -5.899 -12.110 1.00 0.00 C ATOM 459 CD GLU A 32 -8.028 -6.166 -13.325 1.00 0.00 C ATOM 460 OE1 GLU A 32 -7.258 -7.149 -13.259 1.00 0.00 O ATOM 461 OE2 GLU A 32 -8.136 -5.381 -14.292 1.00 0.00 O ATOM 0 H GLU A 32 -8.348 -5.004 -8.490 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.716 -6.865 -9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.052 -4.756 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.060 -6.098 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.650 -6.701 -12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.478 -4.976 -12.261 1.00 0.00 H new ATOM 468 N ASP A 33 -6.818 -7.987 -8.926 1.00 0.00 N ATOM 469 CA ASP A 33 -6.017 -9.187 -8.758 1.00 0.00 C ATOM 470 C ASP A 33 -6.673 -10.091 -7.712 1.00 0.00 C ATOM 471 O ASP A 33 -7.125 -11.189 -8.031 1.00 0.00 O ATOM 472 CB ASP A 33 -4.608 -8.845 -8.270 1.00 0.00 C ATOM 473 CG ASP A 33 -3.473 -9.496 -9.062 1.00 0.00 C ATOM 474 OD1 ASP A 33 -3.174 -8.975 -10.158 1.00 0.00 O ATOM 475 OD2 ASP A 33 -2.930 -10.501 -8.554 1.00 0.00 O ATOM 0 H ASP A 33 -6.447 -7.158 -8.462 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.953 -9.687 -9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.481 -7.763 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.519 -9.143 -7.225 1.00 0.00 H new ATOM 480 N GLY A 34 -6.705 -9.594 -6.484 1.00 0.00 N ATOM 481 CA GLY A 34 -7.298 -10.343 -5.389 1.00 0.00 C ATOM 482 C GLY A 34 -6.753 -9.867 -4.041 1.00 0.00 C ATOM 483 O GLY A 34 -5.819 -10.458 -3.501 1.00 0.00 O ATOM 0 H GLY A 34 -6.330 -8.682 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.382 -10.227 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.089 -11.405 -5.515 1.00 0.00 H new ATOM 487 N GLY A 35 -7.361 -8.803 -3.535 1.00 0.00 N ATOM 488 CA GLY A 35 -6.948 -8.241 -2.261 1.00 0.00 C ATOM 489 C GLY A 35 -7.362 -6.773 -2.149 1.00 0.00 C ATOM 490 O GLY A 35 -7.679 -6.136 -3.153 1.00 0.00 O ATOM 0 H GLY A 35 -8.136 -8.316 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.394 -8.811 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.867 -8.327 -2.155 1.00 0.00 H new ATOM 494 N ASP A 36 -7.344 -6.277 -0.921 1.00 0.00 N ATOM 495 CA ASP A 36 -7.714 -4.896 -0.665 1.00 0.00 C ATOM 496 C ASP A 36 -6.592 -4.209 0.117 1.00 0.00 C ATOM 497 O ASP A 36 -6.371 -4.513 1.288 1.00 0.00 O ATOM 498 CB ASP A 36 -8.993 -4.812 0.170 1.00 0.00 C ATOM 499 CG ASP A 36 -10.033 -5.893 -0.131 1.00 0.00 C ATOM 500 OD1 ASP A 36 -9.920 -6.503 -1.216 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.918 -6.085 0.731 1.00 0.00 O ATOM 0 H ASP A 36 -7.079 -6.808 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.880 -4.408 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.725 -4.870 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.450 -3.835 0.011 1.00 0.00 H new ATOM 506 N VAL A 37 -5.914 -3.295 -0.562 1.00 0.00 N ATOM 507 CA VAL A 37 -4.821 -2.563 0.055 1.00 0.00 C ATOM 508 C VAL A 37 -5.373 -1.307 0.733 1.00 0.00 C ATOM 509 O VAL A 37 -5.991 -0.466 0.082 1.00 0.00 O ATOM 510 CB VAL A 37 -3.744 -2.255 -0.987 1.00 0.00 C ATOM 511 CG1 VAL A 37 -2.743 -1.229 -0.453 1.00 0.00 C ATOM 512 CG2 VAL A 37 -3.033 -3.534 -1.435 1.00 0.00 C ATOM 0 H VAL A 37 -6.101 -3.045 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.344 -3.167 0.827 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.235 -1.822 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.988 -1.028 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.266 -0.305 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.261 -1.623 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.272 -3.287 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.561 -4.008 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.758 -4.219 -1.874 1.00 0.00 H new ATOM 522 N ILE A 38 -5.130 -1.220 2.032 1.00 0.00 N ATOM 523 CA ILE A 38 -5.595 -0.081 2.806 1.00 0.00 C ATOM 524 C ILE A 38 -4.434 0.478 3.631 1.00 0.00 C ATOM 525 O ILE A 38 -4.013 -0.135 4.611 1.00 0.00 O ATOM 526 CB ILE A 38 -6.816 -0.465 3.644 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.710 -1.452 2.890 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.587 0.779 4.092 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.276 -2.896 3.154 1.00 0.00 C ATOM 0 H ILE A 38 -4.617 -1.920 2.569 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.930 0.718 2.144 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.467 -0.970 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.747 -1.318 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.666 -1.245 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.450 0.478 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.936 1.413 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.925 1.333 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.927 -3.577 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.247 -3.033 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.345 -3.107 4.221 1.00 0.00 H new ATOM 541 N TYR A 39 -3.950 1.635 3.205 1.00 0.00 N ATOM 542 CA TYR A 39 -2.846 2.283 3.892 1.00 0.00 C ATOM 543 C TYR A 39 -3.308 2.897 5.215 1.00 0.00 C ATOM 544 O TYR A 39 -3.955 3.943 5.225 1.00 0.00 O ATOM 545 CB TYR A 39 -2.370 3.402 2.963 1.00 0.00 C ATOM 546 CG TYR A 39 -1.725 4.583 3.692 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.008 4.370 4.852 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.860 5.861 3.188 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.402 5.482 5.537 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.253 6.972 3.874 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.554 6.728 5.014 1.00 0.00 C ATOM 552 OH TYR A 39 0.019 7.778 5.662 1.00 0.00 O ATOM 0 H TYR A 39 -4.302 2.141 2.392 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.059 1.563 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.652 2.991 2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.219 3.765 2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.902 3.370 5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.420 6.027 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.161 5.330 6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.351 7.977 3.491 1.00 0.00 H new ATOM 0 HH TYR A 39 0.055 7.589 6.623 1.00 0.00 H new ATOM 562 N ARG A 40 -2.958 2.220 6.299 1.00 0.00 N ATOM 563 CA ARG A 40 -3.329 2.685 7.624 1.00 0.00 C ATOM 564 C ARG A 40 -2.094 2.766 8.523 1.00 0.00 C ATOM 565 O ARG A 40 -1.725 1.785 9.167 1.00 0.00 O ATOM 566 CB ARG A 40 -4.359 1.754 8.267 1.00 0.00 C ATOM 567 CG ARG A 40 -5.390 1.283 7.238 1.00 0.00 C ATOM 568 CD ARG A 40 -6.404 2.387 6.934 1.00 0.00 C ATOM 569 NE ARG A 40 -7.777 1.897 7.188 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.874 2.664 7.120 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.765 3.962 6.806 1.00 0.00 N ATOM 572 NH2 ARG A 40 -10.079 2.134 7.366 1.00 0.00 N ATOM 0 H ARG A 40 -2.421 1.353 6.286 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.770 3.676 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.854 0.892 8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.864 2.272 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.883 0.987 6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.909 0.401 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.200 3.260 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.308 2.704 5.896 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.896 0.913 7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.847 4.366 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.600 4.546 6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.162 1.146 7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.913 2.718 7.314 1.00 0.00 H new ATOM 586 N GLY A 41 -1.489 3.945 8.539 1.00 0.00 N ATOM 587 CA GLY A 41 -0.303 4.167 9.349 1.00 0.00 C ATOM 588 C GLY A 41 0.948 4.263 8.473 1.00 0.00 C ATOM 589 O GLY A 41 1.118 3.481 7.539 1.00 0.00 O ATOM 0 H GLY A 41 -1.798 4.757 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.419 5.084 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.189 3.353 10.064 1.00 0.00 H new ATOM 593 N PHE A 42 1.792 5.228 8.807 1.00 0.00 N ATOM 594 CA PHE A 42 3.023 5.437 8.063 1.00 0.00 C ATOM 595 C PHE A 42 4.165 5.843 8.996 1.00 0.00 C ATOM 596 O PHE A 42 4.121 6.908 9.610 1.00 0.00 O ATOM 597 CB PHE A 42 2.760 6.573 7.073 1.00 0.00 C ATOM 598 CG PHE A 42 3.944 6.886 6.156 1.00 0.00 C ATOM 599 CD1 PHE A 42 5.080 7.428 6.674 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.862 6.623 4.825 1.00 0.00 C ATOM 601 CE1 PHE A 42 6.179 7.718 5.823 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.961 6.914 3.974 1.00 0.00 C ATOM 603 CZ PHE A 42 6.097 7.455 4.491 1.00 0.00 C ATOM 0 H PHE A 42 1.648 5.874 9.583 1.00 0.00 H new ATOM 0 HA PHE A 42 3.313 4.516 7.557 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.897 6.314 6.459 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.497 7.473 7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.145 7.637 7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.961 6.193 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.081 8.148 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.895 6.706 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.933 7.676 3.844 1.00 0.00 H new ATOM 613 N GLU A 43 5.161 4.972 9.073 1.00 0.00 N ATOM 614 CA GLU A 43 6.313 5.227 9.921 1.00 0.00 C ATOM 615 C GLU A 43 7.580 4.658 9.280 1.00 0.00 C ATOM 616 O GLU A 43 7.517 3.689 8.524 1.00 0.00 O ATOM 617 CB GLU A 43 6.101 4.651 11.322 1.00 0.00 C ATOM 618 CG GLU A 43 6.209 5.744 12.387 1.00 0.00 C ATOM 619 CD GLU A 43 7.588 6.407 12.354 1.00 0.00 C ATOM 620 OE1 GLU A 43 8.582 5.649 12.334 1.00 0.00 O ATOM 621 OE2 GLU A 43 7.617 7.657 12.351 1.00 0.00 O ATOM 0 H GLU A 43 5.194 4.090 8.562 1.00 0.00 H new ATOM 0 HA GLU A 43 6.433 6.306 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.121 4.178 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.842 3.875 11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.436 6.495 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.031 5.315 13.373 1.00 0.00 H new ATOM 628 N ASP A 44 8.702 5.283 9.605 1.00 0.00 N ATOM 629 CA ASP A 44 9.982 4.851 9.070 1.00 0.00 C ATOM 630 C ASP A 44 9.828 4.536 7.580 1.00 0.00 C ATOM 631 O ASP A 44 10.565 3.716 7.036 1.00 0.00 O ATOM 632 CB ASP A 44 10.473 3.584 9.772 1.00 0.00 C ATOM 633 CG ASP A 44 11.284 3.824 11.047 1.00 0.00 C ATOM 634 OD1 ASP A 44 10.772 4.564 11.915 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.398 3.262 11.126 1.00 0.00 O ATOM 0 H ASP A 44 8.751 6.086 10.232 1.00 0.00 H new ATOM 0 HA ASP A 44 10.702 5.654 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.610 2.966 10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.084 3.013 9.073 1.00 0.00 H new ATOM 640 N GLY A 45 8.864 5.204 6.964 1.00 0.00 N ATOM 641 CA GLY A 45 8.603 5.006 5.548 1.00 0.00 C ATOM 642 C GLY A 45 7.670 3.814 5.324 1.00 0.00 C ATOM 643 O GLY A 45 6.763 3.879 4.496 1.00 0.00 O ATOM 0 H GLY A 45 8.254 5.883 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.156 5.907 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.543 4.841 5.021 1.00 0.00 H new ATOM 647 N ILE A 46 7.924 2.755 6.078 1.00 0.00 N ATOM 648 CA ILE A 46 7.118 1.550 5.972 1.00 0.00 C ATOM 649 C ILE A 46 5.639 1.920 6.094 1.00 0.00 C ATOM 650 O ILE A 46 5.136 2.130 7.197 1.00 0.00 O ATOM 651 CB ILE A 46 7.578 0.507 6.992 1.00 0.00 C ATOM 652 CG1 ILE A 46 8.889 -0.149 6.554 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.479 -0.526 7.253 1.00 0.00 C ATOM 654 CD1 ILE A 46 10.089 0.724 6.925 1.00 0.00 C ATOM 0 H ILE A 46 8.676 2.706 6.765 1.00 0.00 H new ATOM 0 HA ILE A 46 7.251 1.086 4.995 1.00 0.00 H new ATOM 0 HB ILE A 46 7.773 1.016 7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.986 -1.127 7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.875 -0.315 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.831 -1.256 7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.593 -0.024 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.229 -1.034 6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.008 0.235 6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.001 1.692 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.114 0.868 8.005 1.00 0.00 H new ATOM 666 N VAL A 47 4.982 1.987 4.945 1.00 0.00 N ATOM 667 CA VAL A 47 3.570 2.328 4.909 1.00 0.00 C ATOM 668 C VAL A 47 2.746 1.117 5.355 1.00 0.00 C ATOM 669 O VAL A 47 2.780 0.069 4.712 1.00 0.00 O ATOM 670 CB VAL A 47 3.188 2.830 3.515 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.691 3.137 3.434 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.020 4.054 3.127 1.00 0.00 C ATOM 0 H VAL A 47 5.402 1.811 4.032 1.00 0.00 H new ATOM 0 HA VAL A 47 3.356 3.141 5.603 1.00 0.00 H new ATOM 0 HB VAL A 47 3.406 2.036 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.446 3.492 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.122 2.232 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.437 3.906 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.729 4.391 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.847 4.854 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.077 3.790 3.126 1.00 0.00 H new ATOM 682 N ARG A 48 2.026 1.303 6.451 1.00 0.00 N ATOM 683 CA ARG A 48 1.195 0.240 6.990 1.00 0.00 C ATOM 684 C ARG A 48 -0.018 0.005 6.087 1.00 0.00 C ATOM 685 O ARG A 48 -0.915 0.844 6.017 1.00 0.00 O ATOM 686 CB ARG A 48 0.714 0.578 8.402 1.00 0.00 C ATOM 687 CG ARG A 48 1.824 0.348 9.429 1.00 0.00 C ATOM 688 CD ARG A 48 1.359 0.732 10.835 1.00 0.00 C ATOM 689 NE ARG A 48 2.297 0.192 11.844 1.00 0.00 N ATOM 690 CZ ARG A 48 3.523 0.683 12.069 1.00 0.00 C ATOM 691 NH1 ARG A 48 3.967 1.728 11.358 1.00 0.00 N ATOM 692 NH2 ARG A 48 4.305 0.129 13.005 1.00 0.00 N ATOM 0 H ARG A 48 2.001 2.174 6.981 1.00 0.00 H new ATOM 0 HA ARG A 48 1.801 -0.665 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.388 1.617 8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.151 -0.036 8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.125 -0.699 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.701 0.936 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.301 1.817 10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.356 0.344 11.014 1.00 0.00 H new ATOM 0 HE ARG A 48 1.991 -0.604 12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.372 2.150 10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.900 2.102 11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.967 -0.667 13.546 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.238 0.503 13.176 1.00 0.00 H new ATOM 706 N LEU A 49 -0.007 -1.139 5.420 1.00 0.00 N ATOM 707 CA LEU A 49 -1.095 -1.495 4.525 1.00 0.00 C ATOM 708 C LEU A 49 -1.698 -2.830 4.967 1.00 0.00 C ATOM 709 O LEU A 49 -0.975 -3.733 5.385 1.00 0.00 O ATOM 710 CB LEU A 49 -0.618 -1.487 3.071 1.00 0.00 C ATOM 711 CG LEU A 49 0.374 -0.384 2.697 1.00 0.00 C ATOM 712 CD1 LEU A 49 1.415 -0.897 1.701 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.355 0.856 2.176 1.00 0.00 C ATOM 0 H LEU A 49 0.739 -1.832 5.481 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.891 -0.752 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.157 -2.451 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.490 -1.398 2.424 1.00 0.00 H new ATOM 0 HG LEU A 49 0.910 -0.087 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.108 -0.093 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.966 -1.726 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.914 -1.238 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.373 1.625 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.934 0.593 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.024 1.236 2.948 1.00 0.00 H new ATOM 725 N LYS A 50 -3.016 -2.912 4.860 1.00 0.00 N ATOM 726 CA LYS A 50 -3.724 -4.121 5.244 1.00 0.00 C ATOM 727 C LYS A 50 -4.235 -4.828 3.987 1.00 0.00 C ATOM 728 O LYS A 50 -5.439 -4.864 3.736 1.00 0.00 O ATOM 729 CB LYS A 50 -4.823 -3.800 6.258 1.00 0.00 C ATOM 730 CG LYS A 50 -5.629 -5.052 6.609 1.00 0.00 C ATOM 731 CD LYS A 50 -6.619 -4.768 7.740 1.00 0.00 C ATOM 732 CE LYS A 50 -7.749 -3.854 7.263 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.337 -3.117 8.404 1.00 0.00 N ATOM 0 H LYS A 50 -3.612 -2.161 4.513 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.050 -4.813 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.378 -3.384 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.487 -3.038 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.168 -5.400 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.952 -5.853 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.036 -5.706 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.098 -4.302 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.367 -3.149 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.519 -4.446 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.102 -2.501 8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.719 -3.794 9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.603 -2.537 8.858 1.00 0.00 H new ATOM 747 N LEU A 51 -3.295 -5.373 3.229 1.00 0.00 N ATOM 748 CA LEU A 51 -3.635 -6.077 2.004 1.00 0.00 C ATOM 749 C LEU A 51 -3.637 -7.583 2.270 1.00 0.00 C ATOM 750 O LEU A 51 -3.026 -8.048 3.232 1.00 0.00 O ATOM 751 CB LEU A 51 -2.703 -5.655 0.867 1.00 0.00 C ATOM 752 CG LEU A 51 -1.611 -6.657 0.487 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.013 -7.462 -0.751 1.00 0.00 C ATOM 754 CD2 LEU A 51 -0.263 -5.957 0.303 1.00 0.00 C ATOM 0 H LEU A 51 -2.297 -5.341 3.440 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.640 -5.809 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.308 -5.455 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.225 -4.716 1.145 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.496 -7.364 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.220 -8.167 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.933 -8.009 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.173 -6.784 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.495 -6.692 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.345 -5.213 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.022 -5.466 1.234 1.00 0.00 H new ATOM 766 N GLN A 52 -4.331 -8.305 1.402 1.00 0.00 N ATOM 767 CA GLN A 52 -4.421 -9.749 1.531 1.00 0.00 C ATOM 768 C GLN A 52 -4.790 -10.380 0.188 1.00 0.00 C ATOM 769 O GLN A 52 -5.829 -10.060 -0.388 1.00 0.00 O ATOM 770 CB GLN A 52 -5.426 -10.141 2.616 1.00 0.00 C ATOM 771 CG GLN A 52 -4.762 -11.002 3.693 1.00 0.00 C ATOM 772 CD GLN A 52 -5.608 -12.238 4.006 1.00 0.00 C ATOM 773 OE1 GLN A 52 -6.533 -12.204 4.800 1.00 0.00 O ATOM 774 NE2 GLN A 52 -5.240 -13.328 3.338 1.00 0.00 N ATOM 0 H GLN A 52 -4.837 -7.916 0.606 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.445 -10.129 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.845 -9.243 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.255 -10.688 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.772 -11.310 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.623 -10.413 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.455 -13.287 2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.742 -14.205 3.476 1.00 0.00 H new ATOM 783 N GLY A 53 -3.919 -11.266 -0.273 1.00 0.00 N ATOM 784 CA GLY A 53 -4.141 -11.945 -1.539 1.00 0.00 C ATOM 785 C GLY A 53 -3.748 -13.421 -1.445 1.00 0.00 C ATOM 786 O GLY A 53 -2.675 -13.750 -0.941 1.00 0.00 O ATOM 0 H GLY A 53 -3.059 -11.529 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.190 -11.862 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.560 -11.459 -2.323 1.00 0.00 H new ATOM 790 N SER A 54 -4.637 -14.269 -1.940 1.00 0.00 N ATOM 791 CA SER A 54 -4.396 -15.702 -1.919 1.00 0.00 C ATOM 792 C SER A 54 -3.835 -16.159 -3.267 1.00 0.00 C ATOM 793 O SER A 54 -2.866 -16.914 -3.317 1.00 0.00 O ATOM 794 CB SER A 54 -5.677 -16.471 -1.588 1.00 0.00 C ATOM 795 OG SER A 54 -6.063 -16.304 -0.227 1.00 0.00 O ATOM 0 H SER A 54 -5.525 -13.992 -2.358 1.00 0.00 H new ATOM 0 HA SER A 54 -3.665 -15.914 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.483 -16.130 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.528 -17.531 -1.795 1.00 0.00 H new ATOM 0 HG SER A 54 -6.885 -16.809 -0.056 1.00 0.00 H new ATOM 801 N CYS A 55 -4.470 -15.681 -4.328 1.00 0.00 N ATOM 802 CA CYS A 55 -4.047 -16.031 -5.673 1.00 0.00 C ATOM 803 C CYS A 55 -2.651 -15.449 -5.904 1.00 0.00 C ATOM 804 O CYS A 55 -2.510 -14.262 -6.195 1.00 0.00 O ATOM 805 CB CYS A 55 -5.048 -15.548 -6.724 1.00 0.00 C ATOM 806 SG CYS A 55 -4.826 -16.487 -8.279 1.00 0.00 S ATOM 0 H CYS A 55 -5.274 -15.055 -4.283 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.009 -17.116 -5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.066 -15.676 -6.355 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.908 -14.483 -6.909 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.683 -16.070 -9.164 1.00 0.00 H new ATOM 812 N THR A 56 -1.655 -16.311 -5.767 1.00 0.00 N ATOM 813 CA THR A 56 -0.275 -15.898 -5.957 1.00 0.00 C ATOM 814 C THR A 56 0.020 -15.692 -7.444 1.00 0.00 C ATOM 815 O THR A 56 0.935 -14.953 -7.803 1.00 0.00 O ATOM 816 CB THR A 56 0.627 -16.942 -5.298 1.00 0.00 C ATOM 817 OG1 THR A 56 1.937 -16.393 -5.413 1.00 0.00 O ATOM 818 CG2 THR A 56 0.697 -18.245 -6.098 1.00 0.00 C ATOM 0 H THR A 56 -1.776 -17.295 -5.526 1.00 0.00 H new ATOM 0 HA THR A 56 -0.082 -14.936 -5.483 1.00 0.00 H new ATOM 0 HB THR A 56 0.262 -17.153 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.585 -17.006 -5.009 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.350 -18.952 -5.586 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.302 -18.672 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.093 -18.040 -7.093 1.00 0.00 H new ATOM 826 N SER A 57 -0.773 -16.360 -8.270 1.00 0.00 N ATOM 827 CA SER A 57 -0.609 -16.259 -9.710 1.00 0.00 C ATOM 828 C SER A 57 0.879 -16.253 -10.068 1.00 0.00 C ATOM 829 O SER A 57 1.363 -15.320 -10.706 1.00 0.00 O ATOM 830 CB SER A 57 -1.291 -15.004 -10.256 1.00 0.00 C ATOM 831 OG SER A 57 -2.006 -15.266 -11.461 1.00 0.00 O ATOM 0 H SER A 57 -1.531 -16.973 -7.969 1.00 0.00 H new ATOM 0 HA SER A 57 -1.084 -17.126 -10.169 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.977 -14.609 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.541 -14.235 -10.439 1.00 0.00 H new ATOM 0 HG SER A 57 -2.429 -14.440 -11.777 1.00 0.00 H new ATOM 837 N CYS A 58 1.562 -17.305 -9.641 1.00 0.00 N ATOM 838 CA CYS A 58 2.984 -17.432 -9.908 1.00 0.00 C ATOM 839 C CYS A 58 3.718 -16.333 -9.137 1.00 0.00 C ATOM 840 O CYS A 58 3.183 -15.243 -8.943 1.00 0.00 O ATOM 841 CB CYS A 58 3.286 -17.376 -11.407 1.00 0.00 C ATOM 842 SG CYS A 58 2.612 -18.862 -12.237 1.00 0.00 S ATOM 0 H CYS A 58 1.157 -18.077 -9.112 1.00 0.00 H new ATOM 0 HA CYS A 58 3.334 -18.407 -9.570 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.849 -16.477 -11.841 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.362 -17.316 -11.568 1.00 0.00 H new ATOM 0 HG CYS A 58 2.872 -18.804 -13.509 1.00 0.00 H new ATOM 848 N PRO A 59 4.965 -16.667 -8.707 1.00 0.00 N ATOM 849 CA PRO A 59 5.777 -15.720 -7.962 1.00 0.00 C ATOM 850 C PRO A 59 6.347 -14.641 -8.885 1.00 0.00 C ATOM 851 O PRO A 59 6.224 -13.450 -8.602 1.00 0.00 O ATOM 852 CB PRO A 59 6.855 -16.564 -7.299 1.00 0.00 C ATOM 853 CG PRO A 59 6.886 -17.876 -8.065 1.00 0.00 C ATOM 854 CD PRO A 59 5.631 -17.948 -8.919 1.00 0.00 C ATOM 0 HA PRO A 59 5.204 -15.170 -7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.823 -16.064 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.628 -16.732 -6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.777 -17.932 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.927 -18.719 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.876 -18.098 -9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.994 -18.780 -8.618 1.00 0.00 H new ATOM 862 N SER A 60 6.957 -15.096 -9.969 1.00 0.00 N ATOM 863 CA SER A 60 7.546 -14.183 -10.935 1.00 0.00 C ATOM 864 C SER A 60 6.636 -12.969 -11.129 1.00 0.00 C ATOM 865 O SER A 60 7.077 -11.829 -10.986 1.00 0.00 O ATOM 866 CB SER A 60 7.792 -14.882 -12.273 1.00 0.00 C ATOM 867 OG SER A 60 8.884 -15.795 -12.206 1.00 0.00 O ATOM 0 H SER A 60 7.056 -16.084 -10.200 1.00 0.00 H new ATOM 0 HA SER A 60 8.509 -13.849 -10.548 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.891 -15.416 -12.574 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.991 -14.135 -13.041 1.00 0.00 H new ATOM 0 HG SER A 60 9.008 -16.222 -13.079 1.00 0.00 H new ATOM 873 N SER A 61 5.383 -13.254 -11.452 1.00 0.00 N ATOM 874 CA SER A 61 4.408 -12.199 -11.668 1.00 0.00 C ATOM 875 C SER A 61 4.316 -11.309 -10.427 1.00 0.00 C ATOM 876 O SER A 61 4.280 -10.085 -10.537 1.00 0.00 O ATOM 877 CB SER A 61 3.034 -12.780 -12.007 1.00 0.00 C ATOM 878 OG SER A 61 2.079 -11.762 -12.295 1.00 0.00 O ATOM 0 H SER A 61 5.021 -14.200 -11.569 1.00 0.00 H new ATOM 0 HA SER A 61 4.737 -11.597 -12.515 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.124 -13.446 -12.865 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.680 -13.383 -11.171 1.00 0.00 H new ATOM 0 HG SER A 61 1.216 -12.174 -12.508 1.00 0.00 H new ATOM 884 N ILE A 62 4.280 -11.960 -9.273 1.00 0.00 N ATOM 885 CA ILE A 62 4.193 -11.243 -8.012 1.00 0.00 C ATOM 886 C ILE A 62 5.442 -10.377 -7.835 1.00 0.00 C ATOM 887 O ILE A 62 5.340 -9.164 -7.656 1.00 0.00 O ATOM 888 CB ILE A 62 3.953 -12.218 -6.857 1.00 0.00 C ATOM 889 CG1 ILE A 62 2.456 -12.389 -6.587 1.00 0.00 C ATOM 890 CG2 ILE A 62 4.715 -11.782 -5.604 1.00 0.00 C ATOM 891 CD1 ILE A 62 2.219 -13.136 -5.273 1.00 0.00 C ATOM 0 H ILE A 62 4.309 -12.976 -9.185 1.00 0.00 H new ATOM 0 HA ILE A 62 3.336 -10.570 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 62 4.342 -13.194 -7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.976 -11.411 -6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.994 -12.936 -7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.527 -12.492 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.783 -11.752 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.378 -10.791 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.148 -13.244 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.680 -14.122 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.661 -12.574 -4.450 1.00 0.00 H new ATOM 903 N ILE A 63 6.591 -11.033 -7.892 1.00 0.00 N ATOM 904 CA ILE A 63 7.858 -10.338 -7.741 1.00 0.00 C ATOM 905 C ILE A 63 8.033 -9.349 -8.895 1.00 0.00 C ATOM 906 O ILE A 63 8.918 -8.495 -8.856 1.00 0.00 O ATOM 907 CB ILE A 63 9.007 -11.340 -7.610 1.00 0.00 C ATOM 908 CG1 ILE A 63 8.767 -12.300 -6.443 1.00 0.00 C ATOM 909 CG2 ILE A 63 10.352 -10.620 -7.493 1.00 0.00 C ATOM 910 CD1 ILE A 63 9.599 -13.574 -6.602 1.00 0.00 C ATOM 0 H ILE A 63 6.671 -12.039 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 63 7.866 -9.757 -6.819 1.00 0.00 H new ATOM 0 HB ILE A 63 9.042 -11.941 -8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.023 -11.809 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.709 -12.556 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.151 -11.355 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.518 -10.013 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.346 -9.979 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.410 -14.239 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.323 -14.075 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.658 -13.316 -6.630 1.00 0.00 H new ATOM 922 N THR A 64 7.176 -9.496 -9.894 1.00 0.00 N ATOM 923 CA THR A 64 7.224 -8.627 -11.057 1.00 0.00 C ATOM 924 C THR A 64 6.299 -7.424 -10.862 1.00 0.00 C ATOM 925 O THR A 64 6.714 -6.281 -11.044 1.00 0.00 O ATOM 926 CB THR A 64 6.881 -9.465 -12.289 1.00 0.00 C ATOM 927 OG1 THR A 64 8.105 -10.114 -12.620 1.00 0.00 O ATOM 928 CG2 THR A 64 6.571 -8.604 -13.515 1.00 0.00 C ATOM 0 H THR A 64 6.443 -10.205 -9.922 1.00 0.00 H new ATOM 0 HA THR A 64 8.221 -8.210 -11.199 1.00 0.00 H new ATOM 0 HB THR A 64 6.025 -10.102 -12.067 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.163 -10.967 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.334 -9.248 -14.362 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.719 -7.959 -13.300 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.439 -7.991 -13.758 1.00 0.00 H new ATOM 936 N LEU A 65 5.061 -7.724 -10.495 1.00 0.00 N ATOM 937 CA LEU A 65 4.073 -6.682 -10.274 1.00 0.00 C ATOM 938 C LEU A 65 4.042 -6.321 -8.788 1.00 0.00 C ATOM 939 O LEU A 65 4.333 -5.185 -8.414 1.00 0.00 O ATOM 940 CB LEU A 65 2.713 -7.106 -10.833 1.00 0.00 C ATOM 941 CG LEU A 65 2.306 -6.469 -12.163 1.00 0.00 C ATOM 942 CD1 LEU A 65 1.165 -7.249 -12.818 1.00 0.00 C ATOM 943 CD2 LEU A 65 1.958 -4.990 -11.979 1.00 0.00 C ATOM 0 H LEU A 65 4.720 -8.674 -10.345 1.00 0.00 H new ATOM 0 HA LEU A 65 4.346 -5.777 -10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.715 -8.189 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.949 -6.872 -10.092 1.00 0.00 H new ATOM 0 HG LEU A 65 3.159 -6.517 -12.840 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.895 -6.775 -13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.485 -8.274 -13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.300 -7.255 -12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.672 -4.561 -12.940 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.128 -4.896 -11.278 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.825 -4.458 -11.588 1.00 0.00 H new ATOM 955 N LYS A 66 3.687 -7.309 -7.979 1.00 0.00 N ATOM 956 CA LYS A 66 3.615 -7.110 -6.542 1.00 0.00 C ATOM 957 C LYS A 66 4.793 -6.244 -6.091 1.00 0.00 C ATOM 958 O LYS A 66 4.600 -5.130 -5.607 1.00 0.00 O ATOM 959 CB LYS A 66 3.528 -8.455 -5.818 1.00 0.00 C ATOM 960 CG LYS A 66 2.528 -8.393 -4.662 1.00 0.00 C ATOM 961 CD LYS A 66 3.236 -8.089 -3.340 1.00 0.00 C ATOM 962 CE LYS A 66 3.833 -9.360 -2.733 1.00 0.00 C ATOM 963 NZ LYS A 66 3.374 -9.531 -1.336 1.00 0.00 N ATOM 0 H LYS A 66 3.446 -8.249 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 66 2.704 -6.572 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.228 -9.232 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.511 -8.732 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.781 -7.625 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.997 -9.342 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.025 -7.356 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.530 -7.644 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.541 -10.226 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.921 -9.307 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.788 -10.398 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.674 -8.712 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.337 -9.603 -1.318 1.00 0.00 H new ATOM 977 N SER A 67 5.988 -6.789 -6.266 1.00 0.00 N ATOM 978 CA SER A 67 7.197 -6.081 -5.883 1.00 0.00 C ATOM 979 C SER A 67 7.336 -4.799 -6.707 1.00 0.00 C ATOM 980 O SER A 67 7.656 -3.741 -6.168 1.00 0.00 O ATOM 981 CB SER A 67 8.433 -6.964 -6.062 1.00 0.00 C ATOM 982 OG SER A 67 9.628 -6.195 -6.170 1.00 0.00 O ATOM 0 H SER A 67 6.144 -7.713 -6.668 1.00 0.00 H new ATOM 0 HA SER A 67 7.121 -5.820 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.516 -7.646 -5.216 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.314 -7.577 -6.956 1.00 0.00 H new ATOM 0 HG SER A 67 10.394 -6.795 -6.282 1.00 0.00 H new ATOM 988 N GLY A 68 7.088 -4.937 -8.001 1.00 0.00 N ATOM 989 CA GLY A 68 7.181 -3.803 -8.906 1.00 0.00 C ATOM 990 C GLY A 68 6.442 -2.588 -8.340 1.00 0.00 C ATOM 991 O GLY A 68 6.916 -1.459 -8.456 1.00 0.00 O ATOM 0 H GLY A 68 6.823 -5.816 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.228 -3.551 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.759 -4.071 -9.875 1.00 0.00 H new ATOM 995 N ILE A 69 5.292 -2.862 -7.741 1.00 0.00 N ATOM 996 CA ILE A 69 4.483 -1.805 -7.158 1.00 0.00 C ATOM 997 C ILE A 69 5.269 -1.128 -6.034 1.00 0.00 C ATOM 998 O ILE A 69 5.527 0.073 -6.088 1.00 0.00 O ATOM 999 CB ILE A 69 3.125 -2.354 -6.715 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.210 -2.591 -7.918 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.477 -1.438 -5.674 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.426 -3.895 -7.762 1.00 0.00 C ATOM 0 H ILE A 69 4.902 -3.800 -7.647 1.00 0.00 H new ATOM 0 HA ILE A 69 4.265 -1.038 -7.901 1.00 0.00 H new ATOM 0 HB ILE A 69 3.287 -3.321 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.517 -1.756 -8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.805 -2.627 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.513 -1.851 -5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.125 -1.363 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.330 -0.447 -6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.783 -4.039 -8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.122 -4.730 -7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.813 -3.846 -6.862 1.00 0.00 H new ATOM 1014 N GLN A 70 5.628 -1.929 -5.041 1.00 0.00 N ATOM 1015 CA GLN A 70 6.380 -1.422 -3.906 1.00 0.00 C ATOM 1016 C GLN A 70 7.424 -0.405 -4.372 1.00 0.00 C ATOM 1017 O GLN A 70 7.691 0.577 -3.681 1.00 0.00 O ATOM 1018 CB GLN A 70 7.036 -2.564 -3.128 1.00 0.00 C ATOM 1019 CG GLN A 70 7.912 -2.025 -1.996 1.00 0.00 C ATOM 1020 CD GLN A 70 9.304 -2.660 -2.029 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.633 -3.536 -1.246 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.100 -2.170 -2.975 1.00 0.00 N ATOM 0 H GLN A 70 5.412 -2.925 -4.999 1.00 0.00 H new ATOM 0 HA GLN A 70 5.687 -0.919 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.267 -3.218 -2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.641 -3.169 -3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.000 -0.942 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.438 -2.229 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.761 -1.437 -3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.050 -2.528 -3.078 1.00 0.00 H new ATOM 1031 N ASN A 71 7.986 -0.675 -5.540 1.00 0.00 N ATOM 1032 CA ASN A 71 8.995 0.204 -6.107 1.00 0.00 C ATOM 1033 C ASN A 71 8.336 1.511 -6.549 1.00 0.00 C ATOM 1034 O ASN A 71 8.788 2.595 -6.182 1.00 0.00 O ATOM 1035 CB ASN A 71 9.655 -0.432 -7.332 1.00 0.00 C ATOM 1036 CG ASN A 71 11.122 -0.013 -7.445 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.696 0.578 -6.545 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.693 -0.350 -8.597 1.00 0.00 N ATOM 0 H ASN A 71 7.762 -1.491 -6.110 1.00 0.00 H new ATOM 0 HA ASN A 71 9.752 0.385 -5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.588 -1.518 -7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.118 -0.136 -8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.670 -0.114 -8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.154 -0.844 -9.308 1.00 0.00 H new ATOM 1045 N MET A 72 7.277 1.367 -7.333 1.00 0.00 N ATOM 1046 CA MET A 72 6.550 2.523 -7.830 1.00 0.00 C ATOM 1047 C MET A 72 6.349 3.561 -6.724 1.00 0.00 C ATOM 1048 O MET A 72 6.625 4.743 -6.919 1.00 0.00 O ATOM 1049 CB MET A 72 5.189 2.078 -8.368 1.00 0.00 C ATOM 1050 CG MET A 72 4.383 3.275 -8.878 1.00 0.00 C ATOM 1051 SD MET A 72 3.099 2.719 -9.985 1.00 0.00 S ATOM 1052 CE MET A 72 1.841 2.270 -8.800 1.00 0.00 C ATOM 0 H MET A 72 6.905 0.467 -7.636 1.00 0.00 H new ATOM 0 HA MET A 72 7.134 2.980 -8.629 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.330 1.360 -9.175 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.632 1.568 -7.582 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.943 3.812 -8.038 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.041 3.974 -9.393 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.201 1.496 -9.224 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.314 1.893 -7.893 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.239 3.146 -8.559 1.00 0.00 H new ATOM 1062 N LEU A 73 5.867 3.080 -5.586 1.00 0.00 N ATOM 1063 CA LEU A 73 5.625 3.952 -4.449 1.00 0.00 C ATOM 1064 C LEU A 73 6.901 4.735 -4.131 1.00 0.00 C ATOM 1065 O LEU A 73 6.939 5.955 -4.286 1.00 0.00 O ATOM 1066 CB LEU A 73 5.086 3.148 -3.264 1.00 0.00 C ATOM 1067 CG LEU A 73 3.836 3.711 -2.585 1.00 0.00 C ATOM 1068 CD1 LEU A 73 2.665 3.787 -3.568 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.482 2.906 -1.333 1.00 0.00 C ATOM 0 H LEU A 73 5.638 2.099 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 73 4.853 4.684 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.865 2.137 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.875 3.066 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 73 4.052 4.729 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.789 4.190 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.932 4.436 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.439 2.789 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.590 3.327 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.292 1.869 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.311 2.948 -0.627 1.00 0.00 H new ATOM 1081 N GLN A 74 7.914 4.002 -3.693 1.00 0.00 N ATOM 1082 CA GLN A 74 9.187 4.613 -3.353 1.00 0.00 C ATOM 1083 C GLN A 74 9.656 5.529 -4.485 1.00 0.00 C ATOM 1084 O GLN A 74 10.009 6.683 -4.249 1.00 0.00 O ATOM 1085 CB GLN A 74 10.239 3.548 -3.037 1.00 0.00 C ATOM 1086 CG GLN A 74 10.196 3.155 -1.559 1.00 0.00 C ATOM 1087 CD GLN A 74 9.533 1.788 -1.374 1.00 0.00 C ATOM 1088 OE1 GLN A 74 10.164 0.747 -1.453 1.00 0.00 O ATOM 1089 NE2 GLN A 74 8.228 1.849 -1.125 1.00 0.00 N ATOM 0 H GLN A 74 7.879 2.991 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 74 9.050 5.218 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.067 2.667 -3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.230 3.926 -3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.209 3.130 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.647 3.909 -0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.761 2.754 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.694 0.991 -0.987 1.00 0.00 H new ATOM 1098 N PHE A 75 9.646 4.979 -5.690 1.00 0.00 N ATOM 1099 CA PHE A 75 10.066 5.732 -6.860 1.00 0.00 C ATOM 1100 C PHE A 75 9.434 7.126 -6.871 1.00 0.00 C ATOM 1101 O PHE A 75 10.140 8.131 -6.943 1.00 0.00 O ATOM 1102 CB PHE A 75 9.583 4.957 -8.088 1.00 0.00 C ATOM 1103 CG PHE A 75 9.336 5.832 -9.318 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.124 6.421 -9.502 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.329 6.021 -10.229 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.895 7.233 -10.644 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.100 6.834 -11.371 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.888 7.422 -11.554 1.00 0.00 C ATOM 0 H PHE A 75 9.354 4.021 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 75 11.149 5.853 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.322 4.196 -8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.660 4.434 -7.835 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.336 6.271 -8.779 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.291 5.553 -10.084 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.932 7.701 -10.790 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.888 6.985 -12.094 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.714 8.040 -12.423 1.00 0.00 H new ATOM 1118 N TYR A 76 8.111 7.142 -6.797 1.00 0.00 N ATOM 1119 CA TYR A 76 7.377 8.395 -6.797 1.00 0.00 C ATOM 1120 C TYR A 76 7.551 9.133 -5.468 1.00 0.00 C ATOM 1121 O TYR A 76 7.970 10.289 -5.446 1.00 0.00 O ATOM 1122 CB TYR A 76 5.904 8.021 -6.970 1.00 0.00 C ATOM 1123 CG TYR A 76 5.427 8.025 -8.424 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.388 9.208 -9.134 1.00 0.00 C ATOM 1125 CD2 TYR A 76 5.036 6.846 -9.026 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.939 9.212 -10.502 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.587 6.850 -10.394 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.561 8.033 -11.065 1.00 0.00 C ATOM 1129 OH TYR A 76 4.137 8.037 -12.357 1.00 0.00 O ATOM 0 H TYR A 76 7.529 6.307 -6.737 1.00 0.00 H new ATOM 0 HA TYR A 76 7.738 9.051 -7.590 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.739 7.030 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.293 8.718 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.694 10.131 -8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.067 5.920 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.903 10.131 -11.069 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.278 5.935 -10.876 1.00 0.00 H new ATOM 0 HH TYR A 76 3.900 7.125 -12.626 1.00 0.00 H new ATOM 1139 N ILE A 77 7.220 8.434 -4.392 1.00 0.00 N ATOM 1140 CA ILE A 77 7.334 9.008 -3.062 1.00 0.00 C ATOM 1141 C ILE A 77 8.629 8.520 -2.411 1.00 0.00 C ATOM 1142 O ILE A 77 8.745 7.349 -2.051 1.00 0.00 O ATOM 1143 CB ILE A 77 6.080 8.706 -2.239 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.816 9.133 -2.989 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.167 9.346 -0.852 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.730 10.657 -3.095 1.00 0.00 C ATOM 0 H ILE A 77 6.873 7.475 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 77 7.395 10.095 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 77 6.019 7.628 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.816 8.695 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.936 8.751 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.263 9.116 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.035 8.952 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.265 10.427 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.823 10.934 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.706 11.090 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.600 11.034 -3.633 1.00 0.00 H new ATOM 1158 N PRO A 78 9.596 9.467 -2.275 1.00 0.00 N ATOM 1159 CA PRO A 78 10.879 9.145 -1.673 1.00 0.00 C ATOM 1160 C PRO A 78 10.752 9.007 -0.154 1.00 0.00 C ATOM 1161 O PRO A 78 11.729 8.700 0.528 1.00 0.00 O ATOM 1162 CB PRO A 78 11.804 10.276 -2.091 1.00 0.00 C ATOM 1163 CG PRO A 78 10.898 11.419 -2.519 1.00 0.00 C ATOM 1164 CD PRO A 78 9.494 10.863 -2.689 1.00 0.00 C ATOM 0 HA PRO A 78 11.271 8.184 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.450 10.577 -1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.455 9.966 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.906 12.213 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.251 11.857 -3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.776 11.407 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.158 10.946 -3.722 1.00 0.00 H new ATOM 1172 N GLU A 79 9.542 9.241 0.330 1.00 0.00 N ATOM 1173 CA GLU A 79 9.275 9.146 1.756 1.00 0.00 C ATOM 1174 C GLU A 79 9.246 7.681 2.194 1.00 0.00 C ATOM 1175 O GLU A 79 10.130 7.228 2.919 1.00 0.00 O ATOM 1176 CB GLU A 79 7.967 9.853 2.117 1.00 0.00 C ATOM 1177 CG GLU A 79 7.974 11.303 1.629 1.00 0.00 C ATOM 1178 CD GLU A 79 8.499 12.245 2.715 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.765 11.737 3.826 1.00 0.00 O ATOM 1180 OE2 GLU A 79 8.621 13.451 2.409 1.00 0.00 O ATOM 0 H GLU A 79 8.735 9.496 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 79 10.081 9.649 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.127 9.320 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.823 9.830 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.596 11.387 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.965 11.599 1.343 1.00 0.00 H new ATOM 1187 N VAL A 80 8.219 6.980 1.736 1.00 0.00 N ATOM 1188 CA VAL A 80 8.063 5.575 2.072 1.00 0.00 C ATOM 1189 C VAL A 80 9.385 4.846 1.825 1.00 0.00 C ATOM 1190 O VAL A 80 10.214 5.305 1.041 1.00 0.00 O ATOM 1191 CB VAL A 80 6.894 4.976 1.287 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.875 5.498 -0.151 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.942 3.447 1.314 1.00 0.00 C ATOM 0 H VAL A 80 7.487 7.359 1.135 1.00 0.00 H new ATOM 0 HA VAL A 80 7.821 5.460 3.128 1.00 0.00 H new ATOM 0 HB VAL A 80 5.969 5.291 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.035 5.057 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.771 6.583 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.806 5.227 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.100 3.047 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.875 3.104 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.885 3.099 2.345 1.00 0.00 H new ATOM 1203 N GLU A 81 9.541 3.722 2.509 1.00 0.00 N ATOM 1204 CA GLU A 81 10.748 2.925 2.373 1.00 0.00 C ATOM 1205 C GLU A 81 10.393 1.477 2.028 1.00 0.00 C ATOM 1206 O GLU A 81 10.994 0.883 1.135 1.00 0.00 O ATOM 1207 CB GLU A 81 11.596 2.993 3.645 1.00 0.00 C ATOM 1208 CG GLU A 81 12.470 4.249 3.655 1.00 0.00 C ATOM 1209 CD GLU A 81 13.915 3.909 4.026 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.119 3.488 5.185 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.782 4.076 3.141 1.00 0.00 O ATOM 0 H GLU A 81 8.851 3.344 3.159 1.00 0.00 H new ATOM 0 HA GLU A 81 11.342 3.337 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.946 2.991 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.226 2.106 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.445 4.722 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.068 4.970 4.367 1.00 0.00 H new ATOM 1218 N GLY A 82 9.417 0.952 2.755 1.00 0.00 N ATOM 1219 CA GLY A 82 8.975 -0.415 2.536 1.00 0.00 C ATOM 1220 C GLY A 82 7.464 -0.542 2.745 1.00 0.00 C ATOM 1221 O GLY A 82 6.777 0.456 2.958 1.00 0.00 O ATOM 0 H GLY A 82 8.921 1.448 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.233 -0.727 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.498 -1.084 3.219 1.00 0.00 H new ATOM 1225 N VAL A 83 6.992 -1.778 2.678 1.00 0.00 N ATOM 1226 CA VAL A 83 5.575 -2.049 2.857 1.00 0.00 C ATOM 1227 C VAL A 83 5.401 -3.176 3.876 1.00 0.00 C ATOM 1228 O VAL A 83 6.331 -3.940 4.127 1.00 0.00 O ATOM 1229 CB VAL A 83 4.927 -2.359 1.506 1.00 0.00 C ATOM 1230 CG1 VAL A 83 5.071 -1.177 0.545 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.511 -3.635 0.897 1.00 0.00 C ATOM 0 H VAL A 83 7.565 -2.603 2.502 1.00 0.00 H new ATOM 0 HA VAL A 83 5.065 -1.171 3.253 1.00 0.00 H new ATOM 0 HB VAL A 83 3.863 -2.526 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.602 -1.423 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.586 -0.300 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.128 -0.965 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.033 -3.832 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.584 -3.510 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.333 -4.474 1.570 1.00 0.00 H new ATOM 1241 N GLU A 84 4.202 -3.243 4.437 1.00 0.00 N ATOM 1242 CA GLU A 84 3.894 -4.264 5.424 1.00 0.00 C ATOM 1243 C GLU A 84 2.400 -4.594 5.397 1.00 0.00 C ATOM 1244 O GLU A 84 1.583 -3.758 5.015 1.00 0.00 O ATOM 1245 CB GLU A 84 4.334 -3.826 6.822 1.00 0.00 C ATOM 1246 CG GLU A 84 3.332 -2.842 7.429 1.00 0.00 C ATOM 1247 CD GLU A 84 4.048 -1.765 8.246 1.00 0.00 C ATOM 1248 OE1 GLU A 84 4.790 -2.156 9.174 1.00 0.00 O ATOM 1249 OE2 GLU A 84 3.838 -0.575 7.925 1.00 0.00 O ATOM 0 H GLU A 84 3.433 -2.607 4.227 1.00 0.00 H new ATOM 0 HA GLU A 84 4.450 -5.166 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.428 -4.699 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.319 -3.361 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.750 -2.374 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.629 -3.379 8.066 1.00 0.00 H new ATOM 1256 N GLN A 85 2.088 -5.814 5.809 1.00 0.00 N ATOM 1257 CA GLN A 85 0.707 -6.265 5.837 1.00 0.00 C ATOM 1258 C GLN A 85 0.142 -6.153 7.254 1.00 0.00 C ATOM 1259 O GLN A 85 0.203 -7.108 8.028 1.00 0.00 O ATOM 1260 CB GLN A 85 0.586 -7.696 5.310 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.873 -8.052 5.020 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.342 -9.207 5.906 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.720 -9.557 6.896 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.471 -9.780 5.496 1.00 0.00 N ATOM 0 H GLN A 85 2.768 -6.504 6.126 1.00 0.00 H new ATOM 0 HA GLN A 85 0.121 -5.621 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.178 -7.804 4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.996 -8.393 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.504 -7.180 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.983 -8.326 3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.942 -9.438 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.866 -10.561 6.020 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.396 -4.979 7.552 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.972 -4.731 8.862 1.00 0.00 C ATOM 1275 C VAL A 86 -2.240 -5.571 9.025 1.00 0.00 C ATOM 1276 O VAL A 86 -3.047 -5.669 8.102 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.220 -3.233 9.050 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.098 -2.456 9.054 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.169 -2.696 7.977 1.00 0.00 C ATOM 0 H VAL A 86 -0.445 -4.189 6.908 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.278 -5.033 9.647 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.696 -3.091 10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.106 -1.394 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.727 -2.811 9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.613 -2.609 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.329 -1.629 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.732 -2.857 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.123 -3.219 8.041 1.00 0.00 H new ATOM 1289 N SER A 87 -2.377 -6.156 10.206 1.00 0.00 N ATOM 1290 CA SER A 87 -3.533 -6.985 10.501 1.00 0.00 C ATOM 1291 C SER A 87 -3.564 -8.194 9.564 1.00 0.00 C ATOM 1292 O SER A 87 -4.053 -8.100 8.439 1.00 0.00 O ATOM 1293 CB SER A 87 -4.831 -6.185 10.377 1.00 0.00 C ATOM 1294 OG SER A 87 -5.562 -6.161 11.600 1.00 0.00 O ATOM 0 H SER A 87 -1.706 -6.072 10.970 1.00 0.00 H new ATOM 0 HA SER A 87 -3.449 -7.333 11.530 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.600 -5.164 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.451 -6.619 9.593 1.00 0.00 H new ATOM 0 HG SER A 87 -6.383 -5.639 11.480 1.00 0.00 H new ATOM 1300 N GLY A 88 -3.034 -9.302 10.062 1.00 0.00 N ATOM 1301 CA GLY A 88 -2.995 -10.528 9.283 1.00 0.00 C ATOM 1302 C GLY A 88 -2.923 -11.755 10.194 1.00 0.00 C ATOM 1303 O GLY A 88 -2.779 -11.623 11.409 1.00 0.00 O ATOM 0 H GLY A 88 -2.628 -9.376 10.995 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.882 -10.591 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.131 -10.513 8.618 1.00 0.00 H new ATOM 1307 N PRO A 89 -3.030 -12.952 9.557 1.00 0.00 N ATOM 1308 CA PRO A 89 -2.978 -14.201 10.297 1.00 0.00 C ATOM 1309 C PRO A 89 -1.547 -14.521 10.733 1.00 0.00 C ATOM 1310 O PRO A 89 -0.652 -14.639 9.898 1.00 0.00 O ATOM 1311 CB PRO A 89 -3.559 -15.241 9.353 1.00 0.00 C ATOM 1312 CG PRO A 89 -3.484 -14.631 7.963 1.00 0.00 C ATOM 1313 CD PRO A 89 -3.202 -13.146 8.120 1.00 0.00 C ATOM 0 HA PRO A 89 -3.547 -14.164 11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.994 -16.172 9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.589 -15.479 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.698 -15.109 7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.420 -14.787 7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.307 -12.852 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.025 -12.544 7.735 1.00 0.00 H new ATOM 1321 N SER A 90 -1.376 -14.654 12.040 1.00 0.00 N ATOM 1322 CA SER A 90 -0.069 -14.959 12.597 1.00 0.00 C ATOM 1323 C SER A 90 -0.147 -14.997 14.124 1.00 0.00 C ATOM 1324 O SER A 90 -0.416 -13.980 14.761 1.00 0.00 O ATOM 1325 CB SER A 90 0.975 -13.936 12.144 1.00 0.00 C ATOM 1326 OG SER A 90 2.102 -14.558 11.533 1.00 0.00 O ATOM 0 H SER A 90 -2.121 -14.556 12.730 1.00 0.00 H new ATOM 0 HA SER A 90 0.239 -15.938 12.231 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.519 -13.240 11.440 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.305 -13.351 13.002 1.00 0.00 H new ATOM 0 HG SER A 90 2.744 -13.872 11.256 1.00 0.00 H new ATOM 1332 N SER A 91 0.094 -16.181 14.668 1.00 0.00 N ATOM 1333 CA SER A 91 0.055 -16.365 16.108 1.00 0.00 C ATOM 1334 C SER A 91 1.448 -16.723 16.629 1.00 0.00 C ATOM 1335 O SER A 91 2.012 -16.002 17.451 1.00 0.00 O ATOM 1336 CB SER A 91 -0.952 -17.450 16.498 1.00 0.00 C ATOM 1337 OG SER A 91 -0.682 -18.687 15.845 1.00 0.00 O ATOM 0 H SER A 91 0.317 -17.023 14.137 1.00 0.00 H new ATOM 0 HA SER A 91 -0.266 -15.428 16.563 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.927 -17.597 17.578 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.959 -17.118 16.245 1.00 0.00 H new ATOM 0 HG SER A 91 -1.345 -19.354 16.121 1.00 0.00 H new ATOM 1343 N GLY A 92 1.965 -17.835 16.128 1.00 0.00 N ATOM 1344 CA GLY A 92 3.282 -18.297 16.531 1.00 0.00 C ATOM 1345 C GLY A 92 4.341 -17.901 15.501 1.00 0.00 C ATOM 1346 O GLY A 92 4.176 -18.151 14.308 1.00 0.00 O ATOM 0 H GLY A 92 1.495 -18.430 15.446 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.538 -17.874 17.502 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.271 -19.381 16.648 1.00 0.00 H new TER 1350 GLY A 92