USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) 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 -59:sc= 0.246 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 8 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= -0.0673 (180deg=-0.353) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.989 USER MOD Single : A 46 HIS : no HD1:sc= -0.755 K(o=-0.76,f=0.015) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.19) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.016) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 23:sc= 0.265 USER MOD Single : A 63 SER OG : rot -12:sc= 0.748 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.670 17.154 10.389 1.00 0.00 N ATOM 2 CA GLY A 1 -17.448 17.580 11.759 1.00 0.00 C ATOM 3 C GLY A 1 -16.060 17.230 12.257 1.00 0.00 C ATOM 4 O GLY A 1 -15.110 17.985 12.048 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.633 17.416 10.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.979 17.618 9.765 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.557 16.122 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.595 18.658 11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.191 17.114 12.406 1.00 0.00 H new ATOM 8 N SER A 2 -15.942 16.083 12.918 1.00 0.00 N ATOM 9 CA SER A 2 -14.660 15.637 13.452 1.00 0.00 C ATOM 10 C SER A 2 -13.647 15.428 12.330 1.00 0.00 C ATOM 11 O SER A 2 -13.987 15.508 11.150 1.00 0.00 O ATOM 12 CB SER A 2 -14.837 14.340 14.243 1.00 0.00 C ATOM 13 OG SER A 2 -15.338 14.600 15.543 1.00 0.00 O ATOM 0 H SER A 2 -16.718 15.446 13.097 1.00 0.00 H new ATOM 0 HA SER A 2 -14.282 16.412 14.119 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.520 13.677 13.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.881 13.821 14.315 1.00 0.00 H new ATOM 0 HG SER A 2 -15.444 13.755 16.028 1.00 0.00 H new ATOM 19 N SER A 3 -12.402 15.160 12.709 1.00 0.00 N ATOM 20 CA SER A 3 -11.337 14.943 11.736 1.00 0.00 C ATOM 21 C SER A 3 -11.151 16.171 10.851 1.00 0.00 C ATOM 22 O SER A 3 -10.967 16.056 9.640 1.00 0.00 O ATOM 23 CB SER A 3 -11.650 13.720 10.871 1.00 0.00 C ATOM 24 OG SER A 3 -10.515 13.324 10.119 1.00 0.00 O ATOM 0 H SER A 3 -12.105 15.088 13.682 1.00 0.00 H new ATOM 0 HA SER A 3 -10.410 14.766 12.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.976 12.896 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.475 13.949 10.197 1.00 0.00 H new ATOM 0 HG SER A 3 -10.227 14.065 9.546 1.00 0.00 H new ATOM 30 N GLY A 4 -11.199 17.349 11.467 1.00 0.00 N ATOM 31 CA GLY A 4 -11.034 18.583 10.721 1.00 0.00 C ATOM 32 C GLY A 4 -10.015 18.455 9.607 1.00 0.00 C ATOM 33 O GLY A 4 -10.337 18.655 8.435 1.00 0.00 O ATOM 0 H GLY A 4 -11.349 17.470 12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.994 18.880 10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.726 19.377 11.401 1.00 0.00 H new ATOM 37 N SER A 5 -8.780 18.124 9.971 1.00 0.00 N ATOM 38 CA SER A 5 -7.708 17.975 8.994 1.00 0.00 C ATOM 39 C SER A 5 -7.853 16.666 8.224 1.00 0.00 C ATOM 40 O SER A 5 -7.286 15.643 8.606 1.00 0.00 O ATOM 41 CB SER A 5 -6.346 18.024 9.689 1.00 0.00 C ATOM 42 OG SER A 5 -5.339 18.485 8.805 1.00 0.00 O ATOM 0 H SER A 5 -8.497 17.954 10.936 1.00 0.00 H new ATOM 0 HA SER A 5 -7.777 18.801 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.401 18.681 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.086 17.031 10.056 1.00 0.00 H new ATOM 0 HG SER A 5 -4.478 18.509 9.273 1.00 0.00 H new ATOM 48 N SER A 6 -8.616 16.708 7.136 1.00 0.00 N ATOM 49 CA SER A 6 -8.839 15.525 6.313 1.00 0.00 C ATOM 50 C SER A 6 -7.662 15.289 5.371 1.00 0.00 C ATOM 51 O SER A 6 -7.331 16.141 4.548 1.00 0.00 O ATOM 52 CB SER A 6 -10.130 15.676 5.506 1.00 0.00 C ATOM 53 OG SER A 6 -11.247 15.855 6.360 1.00 0.00 O ATOM 0 H SER A 6 -9.090 17.548 6.804 1.00 0.00 H new ATOM 0 HA SER A 6 -8.931 14.664 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.044 16.528 4.832 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.280 14.792 4.886 1.00 0.00 H new ATOM 0 HG SER A 6 -12.059 15.951 5.820 1.00 0.00 H new ATOM 59 N GLY A 7 -7.034 14.124 5.500 1.00 0.00 N ATOM 60 CA GLY A 7 -5.900 13.795 4.655 1.00 0.00 C ATOM 61 C GLY A 7 -4.757 13.175 5.434 1.00 0.00 C ATOM 62 O GLY A 7 -3.648 13.708 5.449 1.00 0.00 O ATOM 0 H GLY A 7 -7.290 13.402 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.220 13.105 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.548 14.698 4.157 1.00 0.00 H new ATOM 66 N GLN A 8 -5.029 12.048 6.083 1.00 0.00 N ATOM 67 CA GLN A 8 -4.014 11.356 6.870 1.00 0.00 C ATOM 68 C GLN A 8 -4.133 9.845 6.704 1.00 0.00 C ATOM 69 O GLN A 8 -5.211 9.324 6.415 1.00 0.00 O ATOM 70 CB GLN A 8 -4.141 11.731 8.348 1.00 0.00 C ATOM 71 CG GLN A 8 -3.628 13.125 8.668 1.00 0.00 C ATOM 72 CD GLN A 8 -3.661 13.432 10.153 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.727 13.460 10.769 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.491 13.664 10.735 1.00 0.00 N ATOM 0 H GLN A 8 -5.943 11.594 6.080 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.034 11.667 6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.188 11.662 8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.592 11.004 8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.606 13.225 8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.230 13.861 8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.632 13.630 10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.450 13.876 11.732 1.00 0.00 H new ATOM 83 N CYS A 9 -3.018 9.145 6.888 1.00 0.00 N ATOM 84 CA CYS A 9 -2.996 7.693 6.757 1.00 0.00 C ATOM 85 C CYS A 9 -3.563 7.027 8.008 1.00 0.00 C ATOM 86 O CYS A 9 -2.945 7.049 9.071 1.00 0.00 O ATOM 87 CB CYS A 9 -1.568 7.204 6.509 1.00 0.00 C ATOM 88 SG CYS A 9 -1.325 5.426 6.822 1.00 0.00 S ATOM 0 H CYS A 9 -2.118 9.560 7.128 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.619 7.420 5.906 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.296 7.421 5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.886 7.770 7.144 1.00 0.00 H new ATOM 93 N GLY A 10 -4.745 6.433 7.871 1.00 0.00 N ATOM 94 CA GLY A 10 -5.376 5.768 8.996 1.00 0.00 C ATOM 95 C GLY A 10 -4.405 4.906 9.778 1.00 0.00 C ATOM 96 O GLY A 10 -4.499 4.807 11.001 1.00 0.00 O ATOM 0 H GLY A 10 -5.277 6.401 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.809 6.516 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.197 5.149 8.634 1.00 0.00 H new ATOM 100 N ALA A 11 -3.471 4.278 9.071 1.00 0.00 N ATOM 101 CA ALA A 11 -2.479 3.420 9.707 1.00 0.00 C ATOM 102 C ALA A 11 -1.696 4.181 10.771 1.00 0.00 C ATOM 103 O ALA A 11 -1.699 3.808 11.945 1.00 0.00 O ATOM 104 CB ALA A 11 -1.533 2.843 8.665 1.00 0.00 C ATOM 0 H ALA A 11 -3.381 4.347 8.057 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.005 2.601 10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.798 2.204 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.101 2.255 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.021 3.655 8.149 1.00 0.00 H new ATOM 110 N CYS A 12 -1.025 5.250 10.354 1.00 0.00 N ATOM 111 CA CYS A 12 -0.236 6.064 11.271 1.00 0.00 C ATOM 112 C CYS A 12 -0.778 7.489 11.337 1.00 0.00 C ATOM 113 O CYS A 12 -0.977 8.039 12.420 1.00 0.00 O ATOM 114 CB CYS A 12 1.230 6.084 10.835 1.00 0.00 C ATOM 115 SG CYS A 12 1.499 6.751 9.161 1.00 0.00 S ATOM 0 H CYS A 12 -1.012 5.573 9.386 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.307 5.621 12.264 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.802 6.678 11.548 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.625 5.069 10.878 1.00 0.00 H new ATOM 120 N GLY A 13 -1.016 8.081 10.171 1.00 0.00 N ATOM 121 CA GLY A 13 -1.532 9.436 10.118 1.00 0.00 C ATOM 122 C GLY A 13 -0.434 10.478 10.189 1.00 0.00 C ATOM 123 O GLY A 13 -0.568 11.483 10.888 1.00 0.00 O ATOM 0 H GLY A 13 -0.861 7.646 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.097 9.570 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.228 9.589 10.943 1.00 0.00 H new ATOM 127 N GLU A 14 0.655 10.239 9.466 1.00 0.00 N ATOM 128 CA GLU A 14 1.781 11.165 9.453 1.00 0.00 C ATOM 129 C GLU A 14 1.416 12.456 8.727 1.00 0.00 C ATOM 130 O GLU A 14 0.300 12.607 8.230 1.00 0.00 O ATOM 131 CB GLU A 14 2.995 10.517 8.784 1.00 0.00 C ATOM 132 CG GLU A 14 3.683 9.475 9.650 1.00 0.00 C ATOM 133 CD GLU A 14 4.785 8.739 8.912 1.00 0.00 C ATOM 134 OE1 GLU A 14 5.483 9.379 8.097 1.00 0.00 O ATOM 135 OE2 GLU A 14 4.950 7.524 9.149 1.00 0.00 O ATOM 0 H GLU A 14 0.781 9.412 8.882 1.00 0.00 H new ATOM 0 HA GLU A 14 2.030 11.408 10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.679 10.051 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.714 11.294 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.102 9.960 10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.944 8.756 10.003 1.00 0.00 H new ATOM 142 N SER A 15 2.364 13.386 8.671 1.00 0.00 N ATOM 143 CA SER A 15 2.141 14.667 8.011 1.00 0.00 C ATOM 144 C SER A 15 2.339 14.542 6.503 1.00 0.00 C ATOM 145 O SER A 15 2.939 13.580 6.022 1.00 0.00 O ATOM 146 CB SER A 15 3.089 15.727 8.574 1.00 0.00 C ATOM 147 OG SER A 15 2.511 16.388 9.686 1.00 0.00 O ATOM 0 H SER A 15 3.294 13.276 9.075 1.00 0.00 H new ATOM 0 HA SER A 15 1.112 14.972 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.027 15.259 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.328 16.454 7.798 1.00 0.00 H new ATOM 0 HG SER A 15 3.137 17.060 10.029 1.00 0.00 H new ATOM 153 N TYR A 16 1.829 15.520 5.763 1.00 0.00 N ATOM 154 CA TYR A 16 1.947 15.519 4.310 1.00 0.00 C ATOM 155 C TYR A 16 3.317 15.010 3.874 1.00 0.00 C ATOM 156 O TYR A 16 4.345 15.598 4.208 1.00 0.00 O ATOM 157 CB TYR A 16 1.715 16.927 3.758 1.00 0.00 C ATOM 158 CG TYR A 16 1.825 17.013 2.252 1.00 0.00 C ATOM 159 CD1 TYR A 16 0.865 16.435 1.432 1.00 0.00 C ATOM 160 CD2 TYR A 16 2.890 17.672 1.651 1.00 0.00 C ATOM 161 CE1 TYR A 16 0.962 16.510 0.055 1.00 0.00 C ATOM 162 CE2 TYR A 16 2.995 17.753 0.276 1.00 0.00 C ATOM 163 CZ TYR A 16 2.028 17.171 -0.518 1.00 0.00 C ATOM 164 OH TYR A 16 2.129 17.249 -1.888 1.00 0.00 O ATOM 0 H TYR A 16 1.330 16.323 6.145 1.00 0.00 H new ATOM 0 HA TYR A 16 1.187 14.848 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.726 17.269 4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.439 17.608 4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.028 15.918 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.649 18.129 2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.207 16.054 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.830 18.269 -0.175 1.00 0.00 H new ATOM 0 HH TYR A 16 2.937 17.749 -2.129 1.00 0.00 H new ATOM 174 N ALA A 17 3.323 13.913 3.125 1.00 0.00 N ATOM 175 CA ALA A 17 4.565 13.324 2.640 1.00 0.00 C ATOM 176 C ALA A 17 4.942 13.886 1.274 1.00 0.00 C ATOM 177 O ALA A 17 4.074 14.216 0.466 1.00 0.00 O ATOM 178 CB ALA A 17 4.441 11.809 2.574 1.00 0.00 C ATOM 0 H ALA A 17 2.481 13.413 2.840 1.00 0.00 H new ATOM 0 HA ALA A 17 5.358 13.582 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.376 11.383 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.227 11.418 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.631 11.539 1.896 1.00 0.00 H new ATOM 184 N ALA A 18 6.243 13.993 1.021 1.00 0.00 N ATOM 185 CA ALA A 18 6.734 14.514 -0.248 1.00 0.00 C ATOM 186 C ALA A 18 7.252 13.391 -1.139 1.00 0.00 C ATOM 187 O ALA A 18 6.752 13.181 -2.244 1.00 0.00 O ATOM 188 CB ALA A 18 7.827 15.546 -0.008 1.00 0.00 C ATOM 0 H ALA A 18 6.975 13.726 1.679 1.00 0.00 H new ATOM 0 HA ALA A 18 5.901 14.995 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.184 15.927 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.426 16.369 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.654 15.082 0.530 1.00 0.00 H new ATOM 194 N ASP A 19 8.258 12.672 -0.652 1.00 0.00 N ATOM 195 CA ASP A 19 8.843 11.568 -1.405 1.00 0.00 C ATOM 196 C ASP A 19 8.523 10.230 -0.746 1.00 0.00 C ATOM 197 O ASP A 19 9.353 9.664 -0.035 1.00 0.00 O ATOM 198 CB ASP A 19 10.358 11.747 -1.516 1.00 0.00 C ATOM 199 CG ASP A 19 10.929 11.086 -2.756 1.00 0.00 C ATOM 200 OD1 ASP A 19 10.207 11.005 -3.772 1.00 0.00 O ATOM 201 OD2 ASP A 19 12.099 10.651 -2.711 1.00 0.00 O ATOM 0 H ASP A 19 8.685 12.834 0.260 1.00 0.00 H new ATOM 0 HA ASP A 19 8.409 11.572 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.595 12.811 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.836 11.328 -0.631 1.00 0.00 H new ATOM 206 N GLU A 20 7.315 9.732 -0.986 1.00 0.00 N ATOM 207 CA GLU A 20 6.885 8.461 -0.414 1.00 0.00 C ATOM 208 C GLU A 20 5.932 7.734 -1.357 1.00 0.00 C ATOM 209 O GLU A 20 5.409 8.322 -2.304 1.00 0.00 O ATOM 210 CB GLU A 20 6.207 8.689 0.939 1.00 0.00 C ATOM 211 CG GLU A 20 7.182 8.772 2.102 1.00 0.00 C ATOM 212 CD GLU A 20 6.484 8.786 3.448 1.00 0.00 C ATOM 213 OE1 GLU A 20 5.803 7.791 3.774 1.00 0.00 O ATOM 214 OE2 GLU A 20 6.618 9.792 4.175 1.00 0.00 O ATOM 0 H GLU A 20 6.616 10.189 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 20 7.769 7.840 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.628 9.611 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.502 7.878 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.865 7.924 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.787 9.673 2.001 1.00 0.00 H new ATOM 221 N PHE A 21 5.710 6.451 -1.092 1.00 0.00 N ATOM 222 CA PHE A 21 4.821 5.642 -1.917 1.00 0.00 C ATOM 223 C PHE A 21 3.533 5.313 -1.168 1.00 0.00 C ATOM 224 O PHE A 21 3.548 4.588 -0.174 1.00 0.00 O ATOM 225 CB PHE A 21 5.521 4.349 -2.342 1.00 0.00 C ATOM 226 CG PHE A 21 4.576 3.207 -2.582 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.523 3.337 -3.473 1.00 0.00 C ATOM 228 CD2 PHE A 21 4.740 2.003 -1.915 1.00 0.00 C ATOM 229 CE1 PHE A 21 2.652 2.287 -3.697 1.00 0.00 C ATOM 230 CE2 PHE A 21 3.872 0.950 -2.134 1.00 0.00 C ATOM 231 CZ PHE A 21 2.826 1.093 -3.025 1.00 0.00 C ATOM 0 H PHE A 21 6.134 5.949 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 21 4.566 6.219 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.091 4.536 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.236 4.062 -1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.381 4.270 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.555 1.886 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.837 2.400 -4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.011 0.016 -1.609 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.145 0.272 -3.196 1.00 0.00 H new ATOM 241 N TRP A 22 2.420 5.853 -1.653 1.00 0.00 N ATOM 242 CA TRP A 22 1.123 5.618 -1.029 1.00 0.00 C ATOM 243 C TRP A 22 0.418 4.429 -1.671 1.00 0.00 C ATOM 244 O TRP A 22 0.702 4.070 -2.815 1.00 0.00 O ATOM 245 CB TRP A 22 0.247 6.867 -1.141 1.00 0.00 C ATOM 246 CG TRP A 22 0.761 8.026 -0.342 1.00 0.00 C ATOM 247 CD1 TRP A 22 1.820 8.831 -0.653 1.00 0.00 C ATOM 248 CD2 TRP A 22 0.240 8.509 0.901 1.00 0.00 C ATOM 249 NE1 TRP A 22 1.988 9.785 0.322 1.00 0.00 N ATOM 250 CE2 TRP A 22 1.031 9.609 1.286 1.00 0.00 C ATOM 251 CE3 TRP A 22 -0.820 8.120 1.726 1.00 0.00 C ATOM 252 CZ2 TRP A 22 0.795 10.321 2.459 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -1.052 8.827 2.889 1.00 0.00 C ATOM 254 CH2 TRP A 22 -0.249 9.918 3.247 1.00 0.00 C ATOM 0 H TRP A 22 2.390 6.456 -2.475 1.00 0.00 H new ATOM 0 HA TRP A 22 1.290 5.392 0.024 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.176 7.160 -2.189 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.763 6.625 -0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.435 8.732 -1.535 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.708 10.507 0.327 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.446 7.282 1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.414 11.161 2.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -1.867 8.534 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.458 10.451 4.163 1.00 0.00 H new ATOM 265 N ILE A 23 -0.502 3.821 -0.930 1.00 0.00 N ATOM 266 CA ILE A 23 -1.248 2.672 -1.429 1.00 0.00 C ATOM 267 C ILE A 23 -2.658 3.073 -1.847 1.00 0.00 C ATOM 268 O ILE A 23 -3.189 4.085 -1.389 1.00 0.00 O ATOM 269 CB ILE A 23 -1.336 1.556 -0.371 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.387 1.905 0.685 1.00 0.00 C ATOM 271 CG2 ILE A 23 0.021 1.333 0.278 1.00 0.00 C ATOM 272 CD1 ILE A 23 -3.792 1.504 0.294 1.00 0.00 C ATOM 0 H ILE A 23 -0.749 4.105 0.018 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.707 2.296 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.637 0.632 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.125 1.414 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.362 2.979 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.058 0.541 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.745 1.044 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.349 2.254 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.484 1.782 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.073 2.015 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.833 0.426 0.138 1.00 0.00 H new ATOM 284 N CYS A 24 -3.260 2.272 -2.720 1.00 0.00 N ATOM 285 CA CYS A 24 -4.611 2.542 -3.200 1.00 0.00 C ATOM 286 C CYS A 24 -5.563 1.417 -2.807 1.00 0.00 C ATOM 287 O CYS A 24 -5.330 0.251 -3.129 1.00 0.00 O ATOM 288 CB CYS A 24 -4.608 2.716 -4.720 1.00 0.00 C ATOM 289 SG CYS A 24 -6.241 3.031 -5.429 1.00 0.00 S ATOM 0 H CYS A 24 -2.834 1.431 -3.110 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.958 3.465 -2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.946 3.542 -4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.192 1.818 -5.177 1.00 0.00 H new ATOM 0 HG CYS A 24 -6.136 3.166 -6.718 1.00 0.00 H new ATOM 295 N CYS A 25 -6.635 1.774 -2.108 1.00 0.00 N ATOM 296 CA CYS A 25 -7.622 0.795 -1.668 1.00 0.00 C ATOM 297 C CYS A 25 -8.874 0.856 -2.539 1.00 0.00 C ATOM 298 O CYS A 25 -9.098 1.833 -3.254 1.00 0.00 O ATOM 299 CB CYS A 25 -7.994 1.037 -0.204 1.00 0.00 C ATOM 300 SG CYS A 25 -9.167 -0.179 0.476 1.00 0.00 S ATOM 0 H CYS A 25 -6.843 2.734 -1.834 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.181 -0.197 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.085 1.025 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.425 2.034 -0.110 1.00 0.00 H new ATOM 305 N ASP A 26 -9.686 -0.193 -2.472 1.00 0.00 N ATOM 306 CA ASP A 26 -10.916 -0.259 -3.253 1.00 0.00 C ATOM 307 C ASP A 26 -12.139 -0.128 -2.351 1.00 0.00 C ATOM 308 O ASP A 26 -13.033 0.679 -2.612 1.00 0.00 O ATOM 309 CB ASP A 26 -10.980 -1.574 -4.033 1.00 0.00 C ATOM 310 CG ASP A 26 -12.394 -1.934 -4.444 1.00 0.00 C ATOM 311 OD1 ASP A 26 -13.198 -1.008 -4.679 1.00 0.00 O ATOM 312 OD2 ASP A 26 -12.696 -3.142 -4.532 1.00 0.00 O ATOM 0 H ASP A 26 -9.515 -1.009 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.916 0.573 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.355 -1.496 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.567 -2.376 -3.422 1.00 0.00 H new ATOM 317 N LEU A 27 -12.174 -0.927 -1.290 1.00 0.00 N ATOM 318 CA LEU A 27 -13.289 -0.901 -0.350 1.00 0.00 C ATOM 319 C LEU A 27 -13.575 0.522 0.117 1.00 0.00 C ATOM 320 O LEU A 27 -14.637 1.078 -0.163 1.00 0.00 O ATOM 321 CB LEU A 27 -12.987 -1.794 0.855 1.00 0.00 C ATOM 322 CG LEU A 27 -13.091 -3.301 0.616 1.00 0.00 C ATOM 323 CD1 LEU A 27 -12.139 -4.054 1.532 1.00 0.00 C ATOM 324 CD2 LEU A 27 -14.522 -3.776 0.825 1.00 0.00 C ATOM 0 H LEU A 27 -11.443 -1.600 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.173 -1.280 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.979 -1.570 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.670 -1.526 1.661 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.808 -3.506 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.227 -5.125 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.116 -3.735 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.391 -3.843 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.578 -4.851 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.832 -3.557 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.182 -3.261 0.127 1.00 0.00 H new ATOM 336 N CYS A 28 -12.618 1.109 0.830 1.00 0.00 N ATOM 337 CA CYS A 28 -12.765 2.468 1.335 1.00 0.00 C ATOM 338 C CYS A 28 -12.082 3.470 0.408 1.00 0.00 C ATOM 339 O CYS A 28 -12.499 4.624 0.310 1.00 0.00 O ATOM 340 CB CYS A 28 -12.177 2.578 2.743 1.00 0.00 C ATOM 341 SG CYS A 28 -10.356 2.586 2.790 1.00 0.00 S ATOM 0 H CYS A 28 -11.732 0.664 1.071 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.829 2.701 1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.546 3.492 3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.542 1.745 3.344 1.00 0.00 H new ATOM 346 N GLU A 29 -11.032 3.019 -0.271 1.00 0.00 N ATOM 347 CA GLU A 29 -10.292 3.876 -1.190 1.00 0.00 C ATOM 348 C GLU A 29 -9.631 5.031 -0.443 1.00 0.00 C ATOM 349 O GLU A 29 -9.736 6.188 -0.851 1.00 0.00 O ATOM 350 CB GLU A 29 -11.222 4.420 -2.276 1.00 0.00 C ATOM 351 CG GLU A 29 -11.330 3.518 -3.493 1.00 0.00 C ATOM 352 CD GLU A 29 -10.297 3.844 -4.555 1.00 0.00 C ATOM 353 OE1 GLU A 29 -9.916 5.028 -4.666 1.00 0.00 O ATOM 354 OE2 GLU A 29 -9.872 2.917 -5.274 1.00 0.00 O ATOM 0 H GLU A 29 -10.675 2.066 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.512 3.276 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.216 4.565 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.864 5.400 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.211 2.480 -3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.328 3.611 -3.922 1.00 0.00 H new ATOM 361 N MET A 30 -8.952 4.709 0.652 1.00 0.00 N ATOM 362 CA MET A 30 -8.274 5.720 1.456 1.00 0.00 C ATOM 363 C MET A 30 -6.820 5.875 1.021 1.00 0.00 C ATOM 364 O MET A 30 -6.373 5.225 0.077 1.00 0.00 O ATOM 365 CB MET A 30 -8.338 5.351 2.939 1.00 0.00 C ATOM 366 CG MET A 30 -9.644 5.748 3.608 1.00 0.00 C ATOM 367 SD MET A 30 -9.889 4.928 5.195 1.00 0.00 S ATOM 368 CE MET A 30 -9.719 6.311 6.320 1.00 0.00 C ATOM 0 H MET A 30 -8.856 3.756 1.004 1.00 0.00 H new ATOM 0 HA MET A 30 -8.784 6.671 1.304 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.198 4.275 3.044 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.511 5.832 3.461 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.659 6.828 3.755 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.475 5.505 2.946 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.845 5.964 7.345 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.729 6.753 6.206 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.479 7.059 6.094 1.00 0.00 H new ATOM 378 N TRP A 31 -6.089 6.740 1.715 1.00 0.00 N ATOM 379 CA TRP A 31 -4.686 6.980 1.399 1.00 0.00 C ATOM 380 C TRP A 31 -3.786 6.532 2.546 1.00 0.00 C ATOM 381 O TRP A 31 -3.818 7.106 3.634 1.00 0.00 O ATOM 382 CB TRP A 31 -4.454 8.462 1.103 1.00 0.00 C ATOM 383 CG TRP A 31 -5.321 8.990 -0.001 1.00 0.00 C ATOM 384 CD1 TRP A 31 -6.399 9.818 0.128 1.00 0.00 C ATOM 385 CD2 TRP A 31 -5.183 8.722 -1.400 1.00 0.00 C ATOM 386 NE1 TRP A 31 -6.940 10.082 -1.107 1.00 0.00 N ATOM 387 CE2 TRP A 31 -6.212 9.422 -2.061 1.00 0.00 C ATOM 388 CE3 TRP A 31 -4.291 7.961 -2.160 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -6.370 9.381 -3.444 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -4.449 7.922 -3.532 1.00 0.00 C ATOM 391 CH2 TRP A 31 -5.482 8.628 -4.163 1.00 0.00 C ATOM 0 H TRP A 31 -6.444 7.286 2.500 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.434 6.396 0.514 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.639 9.039 2.009 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -3.408 8.613 0.837 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.772 10.208 1.064 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.752 10.673 -1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -3.492 7.413 -1.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.166 9.924 -3.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.764 7.337 -4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.579 8.577 -5.237 1.00 0.00 H new ATOM 402 N PHE A 32 -2.983 5.503 2.294 1.00 0.00 N ATOM 403 CA PHE A 32 -2.074 4.977 3.307 1.00 0.00 C ATOM 404 C PHE A 32 -0.642 4.934 2.782 1.00 0.00 C ATOM 405 O PHE A 32 -0.362 5.385 1.670 1.00 0.00 O ATOM 406 CB PHE A 32 -2.513 3.577 3.739 1.00 0.00 C ATOM 407 CG PHE A 32 -3.982 3.473 4.032 1.00 0.00 C ATOM 408 CD1 PHE A 32 -4.568 4.276 4.996 1.00 0.00 C ATOM 409 CD2 PHE A 32 -4.777 2.571 3.343 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.921 4.184 5.268 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.130 2.474 3.610 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.702 3.281 4.575 1.00 0.00 C ATOM 0 H PHE A 32 -2.943 5.017 1.398 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.107 5.642 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.256 2.866 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.952 3.287 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.961 4.983 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.335 1.937 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.366 4.818 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.739 1.768 3.065 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.758 3.205 4.787 1.00 0.00 H new ATOM 422 N HIS A 33 0.262 4.390 3.591 1.00 0.00 N ATOM 423 CA HIS A 33 1.666 4.288 3.209 1.00 0.00 C ATOM 424 C HIS A 33 2.022 2.855 2.824 1.00 0.00 C ATOM 425 O HIS A 33 1.630 1.905 3.499 1.00 0.00 O ATOM 426 CB HIS A 33 2.564 4.758 4.354 1.00 0.00 C ATOM 427 CG HIS A 33 2.422 6.216 4.666 1.00 0.00 C ATOM 428 ND1 HIS A 33 2.080 6.688 5.916 1.00 0.00 N ATOM 429 CD2 HIS A 33 2.580 7.309 3.883 1.00 0.00 C ATOM 430 CE1 HIS A 33 2.031 8.008 5.887 1.00 0.00 C ATOM 431 NE2 HIS A 33 2.331 8.410 4.665 1.00 0.00 N ATOM 0 H HIS A 33 0.047 4.013 4.514 1.00 0.00 H new ATOM 0 HA HIS A 33 1.828 4.930 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.332 4.179 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.603 4.549 4.099 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.851 7.314 2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.787 8.649 6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.371 9.380 4.353 1.00 0.00 H new ATOM 439 N GLY A 34 2.767 2.708 1.732 1.00 0.00 N ATOM 440 CA GLY A 34 3.161 1.388 1.276 1.00 0.00 C ATOM 441 C GLY A 34 3.687 0.519 2.401 1.00 0.00 C ATOM 442 O GLY A 34 3.336 -0.657 2.503 1.00 0.00 O ATOM 0 H GLY A 34 3.104 3.479 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.306 0.897 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.928 1.486 0.508 1.00 0.00 H new ATOM 446 N LYS A 35 4.531 1.097 3.248 1.00 0.00 N ATOM 447 CA LYS A 35 5.107 0.368 4.372 1.00 0.00 C ATOM 448 C LYS A 35 4.038 0.026 5.404 1.00 0.00 C ATOM 449 O LYS A 35 3.999 -1.089 5.927 1.00 0.00 O ATOM 450 CB LYS A 35 6.218 1.193 5.026 1.00 0.00 C ATOM 451 CG LYS A 35 5.747 2.539 5.549 1.00 0.00 C ATOM 452 CD LYS A 35 6.918 3.423 5.946 1.00 0.00 C ATOM 453 CE LYS A 35 7.655 3.953 4.725 1.00 0.00 C ATOM 454 NZ LYS A 35 6.806 4.875 3.922 1.00 0.00 N ATOM 0 H LYS A 35 4.832 2.069 3.178 1.00 0.00 H new ATOM 0 HA LYS A 35 5.530 -0.562 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.646 0.622 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.016 1.353 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.154 3.041 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.095 2.388 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.558 4.259 6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.608 2.856 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.557 4.475 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.974 3.117 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.410 5.455 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.147 4.321 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.267 5.495 4.560 1.00 0.00 H new ATOM 468 N CYS A 36 3.171 0.991 5.693 1.00 0.00 N ATOM 469 CA CYS A 36 2.100 0.792 6.662 1.00 0.00 C ATOM 470 C CYS A 36 1.228 -0.399 6.273 1.00 0.00 C ATOM 471 O CYS A 36 0.921 -1.255 7.103 1.00 0.00 O ATOM 472 CB CYS A 36 1.241 2.053 6.770 1.00 0.00 C ATOM 473 SG CYS A 36 1.883 3.292 7.942 1.00 0.00 S ATOM 0 H CYS A 36 3.189 1.919 5.270 1.00 0.00 H new ATOM 0 HA CYS A 36 2.555 0.586 7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.159 2.510 5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.234 1.769 7.074 1.00 0.00 H new ATOM 478 N VAL A 37 0.833 -0.446 5.005 1.00 0.00 N ATOM 479 CA VAL A 37 -0.002 -1.532 4.504 1.00 0.00 C ATOM 480 C VAL A 37 0.808 -2.811 4.325 1.00 0.00 C ATOM 481 O VAL A 37 0.308 -3.809 3.807 1.00 0.00 O ATOM 482 CB VAL A 37 -0.659 -1.161 3.161 1.00 0.00 C ATOM 483 CG1 VAL A 37 0.359 -1.226 2.033 1.00 0.00 C ATOM 484 CG2 VAL A 37 -1.841 -2.075 2.876 1.00 0.00 C ATOM 0 H VAL A 37 1.078 0.255 4.306 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.781 -1.700 5.247 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.028 -0.137 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.123 -0.961 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.171 -0.527 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.760 -2.237 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.293 -1.799 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.499 -3.109 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.580 -1.973 3.671 1.00 0.00 H new ATOM 494 N LYS A 38 2.064 -2.774 4.759 1.00 0.00 N ATOM 495 CA LYS A 38 2.945 -3.931 4.649 1.00 0.00 C ATOM 496 C LYS A 38 3.130 -4.338 3.191 1.00 0.00 C ATOM 497 O LYS A 38 3.109 -5.524 2.860 1.00 0.00 O ATOM 498 CB LYS A 38 2.380 -5.106 5.450 1.00 0.00 C ATOM 499 CG LYS A 38 2.737 -5.064 6.926 1.00 0.00 C ATOM 500 CD LYS A 38 4.069 -5.742 7.197 1.00 0.00 C ATOM 501 CE LYS A 38 4.526 -5.520 8.631 1.00 0.00 C ATOM 502 NZ LYS A 38 5.216 -4.211 8.797 1.00 0.00 N ATOM 0 H LYS A 38 2.494 -1.956 5.190 1.00 0.00 H new ATOM 0 HA LYS A 38 3.918 -3.655 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.295 -5.116 5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.750 -6.038 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.780 -4.028 7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.954 -5.554 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.980 -6.811 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.822 -5.355 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.665 -5.564 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.199 -6.325 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.512 -4.098 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.053 -4.179 8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.566 -3.441 8.540 1.00 0.00 H new ATOM 516 N ILE A 39 3.312 -3.347 2.324 1.00 0.00 N ATOM 517 CA ILE A 39 3.504 -3.604 0.902 1.00 0.00 C ATOM 518 C ILE A 39 4.705 -2.834 0.361 1.00 0.00 C ATOM 519 O ILE A 39 4.914 -1.669 0.700 1.00 0.00 O ATOM 520 CB ILE A 39 2.254 -3.220 0.087 1.00 0.00 C ATOM 521 CG1 ILE A 39 1.111 -4.194 0.378 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.576 -3.201 -1.399 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.229 -3.728 -0.148 1.00 0.00 C ATOM 0 H ILE A 39 3.330 -2.360 2.581 1.00 0.00 H new ATOM 0 HA ILE A 39 3.683 -4.674 0.796 1.00 0.00 H new ATOM 0 HB ILE A 39 1.938 -2.220 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.348 -5.162 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.037 -4.344 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.683 -2.928 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.363 -2.472 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.913 -4.190 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.992 -4.468 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.489 -2.774 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.173 -3.606 -1.230 1.00 0.00 H new ATOM 535 N THR A 40 5.491 -3.494 -0.483 1.00 0.00 N ATOM 536 CA THR A 40 6.671 -2.873 -1.072 1.00 0.00 C ATOM 537 C THR A 40 6.305 -2.060 -2.309 1.00 0.00 C ATOM 538 O THR A 40 5.290 -2.301 -2.962 1.00 0.00 O ATOM 539 CB THR A 40 7.727 -3.926 -1.458 1.00 0.00 C ATOM 540 OG1 THR A 40 7.094 -5.049 -2.081 1.00 0.00 O ATOM 541 CG2 THR A 40 8.502 -4.389 -0.234 1.00 0.00 C ATOM 0 H THR A 40 5.332 -4.459 -0.774 1.00 0.00 H new ATOM 0 HA THR A 40 7.090 -2.210 -0.315 1.00 0.00 H new ATOM 0 HB THR A 40 8.425 -3.468 -2.159 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.772 -5.713 -2.325 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.242 -5.132 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.007 -3.537 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.814 -4.830 0.487 1.00 0.00 H new ATOM 549 N PRO A 41 7.151 -1.072 -2.640 1.00 0.00 N ATOM 550 CA PRO A 41 6.937 -0.204 -3.802 1.00 0.00 C ATOM 551 C PRO A 41 7.129 -0.944 -5.121 1.00 0.00 C ATOM 552 O PRO A 41 6.647 -0.505 -6.165 1.00 0.00 O ATOM 553 CB PRO A 41 8.006 0.879 -3.636 1.00 0.00 C ATOM 554 CG PRO A 41 9.078 0.233 -2.828 1.00 0.00 C ATOM 555 CD PRO A 41 8.380 -0.728 -1.906 1.00 0.00 C ATOM 0 HA PRO A 41 5.919 0.184 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.385 1.212 -4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.604 1.757 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.789 -0.288 -3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.642 0.975 -2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.990 -1.609 -1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.158 -0.271 -0.942 1.00 0.00 H new ATOM 563 N ALA A 42 7.836 -2.068 -5.067 1.00 0.00 N ATOM 564 CA ALA A 42 8.089 -2.870 -6.257 1.00 0.00 C ATOM 565 C ALA A 42 6.972 -3.884 -6.484 1.00 0.00 C ATOM 566 O ALA A 42 6.447 -4.006 -7.591 1.00 0.00 O ATOM 567 CB ALA A 42 9.431 -3.577 -6.142 1.00 0.00 C ATOM 0 H ALA A 42 8.244 -2.444 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 42 8.116 -2.200 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.607 -4.172 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.224 -2.837 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.425 -4.229 -5.269 1.00 0.00 H new ATOM 573 N ARG A 43 6.615 -4.609 -5.429 1.00 0.00 N ATOM 574 CA ARG A 43 5.563 -5.614 -5.514 1.00 0.00 C ATOM 575 C ARG A 43 4.230 -4.975 -5.895 1.00 0.00 C ATOM 576 O ARG A 43 3.444 -5.555 -6.644 1.00 0.00 O ATOM 577 CB ARG A 43 5.424 -6.352 -4.181 1.00 0.00 C ATOM 578 CG ARG A 43 4.212 -7.267 -4.115 1.00 0.00 C ATOM 579 CD ARG A 43 4.235 -8.132 -2.865 1.00 0.00 C ATOM 580 NE ARG A 43 5.198 -9.225 -2.972 1.00 0.00 N ATOM 581 CZ ARG A 43 4.943 -10.371 -3.592 1.00 0.00 C ATOM 582 NH1 ARG A 43 3.761 -10.574 -4.158 1.00 0.00 N ATOM 583 NH2 ARG A 43 5.871 -11.318 -3.648 1.00 0.00 N ATOM 0 H ARG A 43 7.039 -4.519 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 43 5.839 -6.328 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.324 -6.942 -4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.361 -5.621 -3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.301 -6.668 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.187 -7.904 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.482 -7.514 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.240 -8.542 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 43 6.117 -9.101 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.045 -9.849 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.568 -11.455 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.782 -11.166 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.674 -12.198 -4.125 1.00 0.00 H new ATOM 597 N ALA A 44 3.984 -3.777 -5.374 1.00 0.00 N ATOM 598 CA ALA A 44 2.748 -3.059 -5.661 1.00 0.00 C ATOM 599 C ALA A 44 2.311 -3.274 -7.106 1.00 0.00 C ATOM 600 O ALA A 44 1.125 -3.440 -7.386 1.00 0.00 O ATOM 601 CB ALA A 44 2.922 -1.575 -5.375 1.00 0.00 C ATOM 0 H ALA A 44 4.624 -3.284 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 44 1.967 -3.454 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.992 -1.051 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.180 -1.435 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.720 -1.175 -6.001 1.00 0.00 H new ATOM 607 N GLU A 45 3.277 -3.268 -8.019 1.00 0.00 N ATOM 608 CA GLU A 45 2.990 -3.460 -9.436 1.00 0.00 C ATOM 609 C GLU A 45 2.058 -4.650 -9.645 1.00 0.00 C ATOM 610 O GLU A 45 1.053 -4.549 -10.349 1.00 0.00 O ATOM 611 CB GLU A 45 4.288 -3.671 -10.218 1.00 0.00 C ATOM 612 CG GLU A 45 4.931 -2.378 -10.691 1.00 0.00 C ATOM 613 CD GLU A 45 4.132 -1.695 -11.783 1.00 0.00 C ATOM 614 OE1 GLU A 45 3.976 -2.296 -12.867 1.00 0.00 O ATOM 615 OE2 GLU A 45 3.664 -0.560 -11.556 1.00 0.00 O ATOM 0 H GLU A 45 4.265 -3.132 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 45 2.494 -2.562 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.997 -4.211 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.083 -4.302 -11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.038 -1.699 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.935 -2.589 -11.059 1.00 0.00 H new ATOM 622 N HIS A 46 2.400 -5.777 -9.029 1.00 0.00 N ATOM 623 CA HIS A 46 1.594 -6.988 -9.147 1.00 0.00 C ATOM 624 C HIS A 46 0.279 -6.841 -8.389 1.00 0.00 C ATOM 625 O HIS A 46 -0.767 -7.304 -8.845 1.00 0.00 O ATOM 626 CB HIS A 46 2.369 -8.195 -8.618 1.00 0.00 C ATOM 627 CG HIS A 46 3.723 -8.356 -9.238 1.00 0.00 C ATOM 628 ND1 HIS A 46 4.050 -9.406 -10.070 1.00 0.00 N ATOM 629 CD2 HIS A 46 4.836 -7.591 -9.144 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.306 -9.281 -10.459 1.00 0.00 C ATOM 631 NE2 HIS A 46 5.806 -8.188 -9.912 1.00 0.00 N ATOM 0 H HIS A 46 3.229 -5.877 -8.443 1.00 0.00 H new ATOM 0 HA HIS A 46 1.369 -7.144 -10.202 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.482 -8.099 -7.538 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.786 -9.098 -8.798 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.942 -6.681 -8.572 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.835 -9.958 -11.114 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.758 -7.843 -10.039 1.00 0.00 H new ATOM 640 N ILE A 47 0.338 -6.195 -7.229 1.00 0.00 N ATOM 641 CA ILE A 47 -0.848 -5.987 -6.409 1.00 0.00 C ATOM 642 C ILE A 47 -1.889 -5.153 -7.148 1.00 0.00 C ATOM 643 O ILE A 47 -1.557 -4.170 -7.811 1.00 0.00 O ATOM 644 CB ILE A 47 -0.499 -5.291 -5.080 1.00 0.00 C ATOM 645 CG1 ILE A 47 0.447 -6.165 -4.255 1.00 0.00 C ATOM 646 CG2 ILE A 47 -1.766 -4.984 -4.295 1.00 0.00 C ATOM 647 CD1 ILE A 47 0.909 -5.511 -2.971 1.00 0.00 C ATOM 0 H ILE A 47 1.195 -5.807 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.261 -6.973 -6.196 1.00 0.00 H new ATOM 0 HB ILE A 47 0.006 -4.350 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.054 -7.103 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.319 -6.415 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.504 -4.492 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.408 -4.327 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.296 -5.912 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.577 -6.188 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.439 -4.587 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.045 -5.286 -2.346 1.00 0.00 H new ATOM 659 N LYS A 48 -3.151 -5.551 -7.029 1.00 0.00 N ATOM 660 CA LYS A 48 -4.243 -4.839 -7.683 1.00 0.00 C ATOM 661 C LYS A 48 -5.428 -4.674 -6.737 1.00 0.00 C ATOM 662 O LYS A 48 -6.168 -5.624 -6.484 1.00 0.00 O ATOM 663 CB LYS A 48 -4.683 -5.587 -8.944 1.00 0.00 C ATOM 664 CG LYS A 48 -5.780 -4.878 -9.720 1.00 0.00 C ATOM 665 CD LYS A 48 -6.270 -5.719 -10.887 1.00 0.00 C ATOM 666 CE LYS A 48 -7.319 -4.980 -11.704 1.00 0.00 C ATOM 667 NZ LYS A 48 -6.700 -4.064 -12.702 1.00 0.00 N ATOM 0 H LYS A 48 -3.443 -6.363 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.883 -3.849 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.820 -5.724 -9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.032 -6.581 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.614 -4.657 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.406 -3.923 -10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.427 -5.982 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.690 -6.653 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.954 -5.702 -12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.963 -4.408 -11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.447 -3.579 -13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.114 -3.359 -12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.106 -4.613 -13.355 1.00 0.00 H new ATOM 681 N GLN A 49 -5.603 -3.462 -6.221 1.00 0.00 N ATOM 682 CA GLN A 49 -6.699 -3.173 -5.304 1.00 0.00 C ATOM 683 C GLN A 49 -6.547 -3.963 -4.008 1.00 0.00 C ATOM 684 O GLN A 49 -7.453 -4.691 -3.604 1.00 0.00 O ATOM 685 CB GLN A 49 -8.041 -3.501 -5.961 1.00 0.00 C ATOM 686 CG GLN A 49 -8.564 -2.394 -6.861 1.00 0.00 C ATOM 687 CD GLN A 49 -9.842 -2.781 -7.580 1.00 0.00 C ATOM 688 OE1 GLN A 49 -10.864 -2.105 -7.462 1.00 0.00 O ATOM 689 NE2 GLN A 49 -9.790 -3.874 -8.332 1.00 0.00 N ATOM 0 H GLN A 49 -5.000 -2.664 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.669 -2.110 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.936 -4.415 -6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.777 -3.704 -5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.744 -1.500 -6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.801 -2.138 -7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.922 -4.404 -8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.618 -4.183 -8.840 1.00 0.00 H new ATOM 698 N TYR A 50 -5.396 -3.813 -3.362 1.00 0.00 N ATOM 699 CA TYR A 50 -5.125 -4.515 -2.113 1.00 0.00 C ATOM 700 C TYR A 50 -6.112 -4.096 -1.027 1.00 0.00 C ATOM 701 O TYR A 50 -6.612 -2.971 -1.025 1.00 0.00 O ATOM 702 CB TYR A 50 -3.693 -4.239 -1.650 1.00 0.00 C ATOM 703 CG TYR A 50 -3.415 -4.698 -0.236 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.688 -3.875 0.849 1.00 0.00 C ATOM 705 CD2 TYR A 50 -2.880 -5.956 0.014 1.00 0.00 C ATOM 706 CE1 TYR A 50 -3.435 -4.291 2.142 1.00 0.00 C ATOM 707 CE2 TYR A 50 -2.625 -6.380 1.304 1.00 0.00 C ATOM 708 CZ TYR A 50 -2.904 -5.544 2.364 1.00 0.00 C ATOM 709 OH TYR A 50 -2.651 -5.962 3.651 1.00 0.00 O ATOM 0 H TYR A 50 -4.636 -3.212 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.243 -5.584 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.999 -4.736 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.497 -3.169 -1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.105 -2.893 0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.660 -6.613 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.652 -3.638 2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.209 -7.361 1.481 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.279 -6.869 3.633 1.00 0.00 H new ATOM 719 N LYS A 51 -6.388 -5.011 -0.104 1.00 0.00 N ATOM 720 CA LYS A 51 -7.313 -4.740 0.990 1.00 0.00 C ATOM 721 C LYS A 51 -6.587 -4.105 2.172 1.00 0.00 C ATOM 722 O LYS A 51 -6.009 -4.803 3.006 1.00 0.00 O ATOM 723 CB LYS A 51 -8.002 -6.031 1.435 1.00 0.00 C ATOM 724 CG LYS A 51 -9.022 -5.827 2.541 1.00 0.00 C ATOM 725 CD LYS A 51 -9.729 -7.124 2.895 1.00 0.00 C ATOM 726 CE LYS A 51 -10.852 -7.433 1.917 1.00 0.00 C ATOM 727 NZ LYS A 51 -11.527 -8.721 2.235 1.00 0.00 N ATOM 0 H LYS A 51 -5.984 -5.947 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.066 -4.039 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.496 -6.484 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.245 -6.738 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.525 -5.429 3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.757 -5.085 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.010 -7.943 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.134 -7.055 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.584 -6.625 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.450 -7.474 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.286 -8.895 1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.835 -9.496 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.933 -8.673 3.191 1.00 0.00 H new ATOM 741 N CYS A 52 -6.622 -2.779 2.239 1.00 0.00 N ATOM 742 CA CYS A 52 -5.968 -2.050 3.320 1.00 0.00 C ATOM 743 C CYS A 52 -6.307 -2.666 4.674 1.00 0.00 C ATOM 744 O CYS A 52 -7.325 -3.337 4.842 1.00 0.00 O ATOM 745 CB CYS A 52 -6.387 -0.579 3.297 1.00 0.00 C ATOM 746 SG CYS A 52 -7.902 -0.223 4.244 1.00 0.00 S ATOM 0 H CYS A 52 -7.096 -2.187 1.558 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.890 -2.116 3.170 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.572 0.026 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.537 -0.271 2.262 1.00 0.00 H new ATOM 751 N PRO A 53 -5.433 -2.433 5.665 1.00 0.00 N ATOM 752 CA PRO A 53 -5.618 -2.955 7.022 1.00 0.00 C ATOM 753 C PRO A 53 -6.774 -2.279 7.751 1.00 0.00 C ATOM 754 O PRO A 53 -7.308 -2.817 8.721 1.00 0.00 O ATOM 755 CB PRO A 53 -4.289 -2.631 7.711 1.00 0.00 C ATOM 756 CG PRO A 53 -3.749 -1.463 6.961 1.00 0.00 C ATOM 757 CD PRO A 53 -4.198 -1.642 5.537 1.00 0.00 C ATOM 0 HA PRO A 53 -5.866 -4.017 7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.437 -2.391 8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.605 -3.479 7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.124 -0.527 7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.662 -1.427 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.383 -0.684 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.448 -2.162 4.942 1.00 0.00 H new ATOM 765 N SER A 54 -7.157 -1.098 7.277 1.00 0.00 N ATOM 766 CA SER A 54 -8.248 -0.347 7.886 1.00 0.00 C ATOM 767 C SER A 54 -9.595 -0.981 7.554 1.00 0.00 C ATOM 768 O SER A 54 -10.560 -0.850 8.308 1.00 0.00 O ATOM 769 CB SER A 54 -8.224 1.107 7.409 1.00 0.00 C ATOM 770 OG SER A 54 -7.468 1.920 8.289 1.00 0.00 O ATOM 0 H SER A 54 -6.728 -0.641 6.473 1.00 0.00 H new ATOM 0 HA SER A 54 -8.112 -0.369 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.799 1.157 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.243 1.488 7.342 1.00 0.00 H new ATOM 0 HG SER A 54 -7.467 2.844 7.961 1.00 0.00 H new ATOM 776 N CYS A 55 -9.655 -1.668 6.418 1.00 0.00 N ATOM 777 CA CYS A 55 -10.882 -2.323 5.983 1.00 0.00 C ATOM 778 C CYS A 55 -10.903 -3.786 6.419 1.00 0.00 C ATOM 779 O CYS A 55 -11.844 -4.237 7.071 1.00 0.00 O ATOM 780 CB CYS A 55 -11.024 -2.230 4.463 1.00 0.00 C ATOM 781 SG CYS A 55 -11.306 -0.540 3.844 1.00 0.00 S ATOM 0 H CYS A 55 -8.867 -1.785 5.782 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.723 -1.811 6.451 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.122 -2.629 4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.852 -2.864 4.147 1.00 0.00 H new ATOM 786 N SER A 56 -9.857 -4.521 6.053 1.00 0.00 N ATOM 787 CA SER A 56 -9.756 -5.933 6.402 1.00 0.00 C ATOM 788 C SER A 56 -10.119 -6.158 7.867 1.00 0.00 C ATOM 789 O SER A 56 -10.643 -7.208 8.233 1.00 0.00 O ATOM 790 CB SER A 56 -8.340 -6.447 6.131 1.00 0.00 C ATOM 791 OG SER A 56 -7.498 -6.237 7.252 1.00 0.00 O ATOM 0 H SER A 56 -9.068 -4.162 5.515 1.00 0.00 H new ATOM 0 HA SER A 56 -10.461 -6.487 5.782 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.375 -7.510 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.926 -5.939 5.261 1.00 0.00 H new ATOM 0 HG SER A 56 -6.600 -6.575 7.054 1.00 0.00 H new ATOM 797 N ASN A 57 -9.835 -5.161 8.700 1.00 0.00 N ATOM 798 CA ASN A 57 -10.131 -5.250 10.125 1.00 0.00 C ATOM 799 C ASN A 57 -11.592 -5.622 10.356 1.00 0.00 C ATOM 800 O ASN A 57 -11.895 -6.637 10.984 1.00 0.00 O ATOM 801 CB ASN A 57 -9.817 -3.921 10.815 1.00 0.00 C ATOM 802 CG ASN A 57 -10.625 -3.722 12.083 1.00 0.00 C ATOM 803 OD1 ASN A 57 -11.343 -2.733 12.227 1.00 0.00 O ATOM 804 ND2 ASN A 57 -10.512 -4.666 13.011 1.00 0.00 N ATOM 0 H ASN A 57 -9.401 -4.284 8.413 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.504 -6.032 10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.754 -3.882 11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.019 -3.101 10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.032 -4.587 13.885 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.905 -5.470 12.850 1.00 0.00 H new ATOM 811 N LYS A 58 -12.496 -4.795 9.842 1.00 0.00 N ATOM 812 CA LYS A 58 -13.927 -5.037 9.989 1.00 0.00 C ATOM 813 C LYS A 58 -14.326 -6.353 9.329 1.00 0.00 C ATOM 814 O LYS A 58 -13.552 -6.940 8.573 1.00 0.00 O ATOM 815 CB LYS A 58 -14.725 -3.884 9.376 1.00 0.00 C ATOM 816 CG LYS A 58 -14.762 -3.909 7.858 1.00 0.00 C ATOM 817 CD LYS A 58 -15.969 -3.160 7.317 1.00 0.00 C ATOM 818 CE LYS A 58 -15.953 -3.100 5.797 1.00 0.00 C ATOM 819 NZ LYS A 58 -16.640 -1.884 5.282 1.00 0.00 N ATOM 0 H LYS A 58 -12.263 -3.951 9.319 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.153 -5.101 11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.746 -3.917 9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.293 -2.939 9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.849 -3.463 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.788 -4.942 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.883 -3.650 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.982 -2.148 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.922 -3.111 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.438 -3.989 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.607 -1.881 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.631 -1.886 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.162 -1.035 5.646 1.00 0.00 H new ATOM 833 N SER A 59 -15.540 -6.810 9.620 1.00 0.00 N ATOM 834 CA SER A 59 -16.042 -8.058 9.056 1.00 0.00 C ATOM 835 C SER A 59 -16.894 -7.792 7.819 1.00 0.00 C ATOM 836 O SER A 59 -18.108 -7.618 7.913 1.00 0.00 O ATOM 837 CB SER A 59 -16.861 -8.820 10.099 1.00 0.00 C ATOM 838 OG SER A 59 -16.839 -10.214 9.847 1.00 0.00 O ATOM 0 H SER A 59 -16.194 -6.335 10.243 1.00 0.00 H new ATOM 0 HA SER A 59 -15.186 -8.665 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.463 -8.621 11.094 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.890 -8.462 10.090 1.00 0.00 H new ATOM 0 HG SER A 59 -17.368 -10.678 10.529 1.00 0.00 H new ATOM 844 N GLY A 60 -16.246 -7.762 6.658 1.00 0.00 N ATOM 845 CA GLY A 60 -16.959 -7.517 5.417 1.00 0.00 C ATOM 846 C GLY A 60 -16.382 -8.297 4.253 1.00 0.00 C ATOM 847 O GLY A 60 -15.765 -7.736 3.347 1.00 0.00 O ATOM 0 H GLY A 60 -15.241 -7.903 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.008 -7.785 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.928 -6.452 5.188 1.00 0.00 H new ATOM 851 N PRO A 61 -16.579 -9.624 4.269 1.00 0.00 N ATOM 852 CA PRO A 61 -16.080 -10.511 3.214 1.00 0.00 C ATOM 853 C PRO A 61 -16.821 -10.318 1.896 1.00 0.00 C ATOM 854 O PRO A 61 -18.000 -10.654 1.780 1.00 0.00 O ATOM 855 CB PRO A 61 -16.342 -11.911 3.775 1.00 0.00 C ATOM 856 CG PRO A 61 -17.474 -11.732 4.727 1.00 0.00 C ATOM 857 CD PRO A 61 -17.305 -10.360 5.318 1.00 0.00 C ATOM 0 HA PRO A 61 -15.033 -10.319 2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.599 -12.613 2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.460 -12.307 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -18.432 -11.821 4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -17.455 -12.497 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.266 -9.897 5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.742 -10.391 6.251 1.00 0.00 H new ATOM 865 N SER A 62 -16.123 -9.774 0.904 1.00 0.00 N ATOM 866 CA SER A 62 -16.717 -9.533 -0.406 1.00 0.00 C ATOM 867 C SER A 62 -15.661 -9.613 -1.504 1.00 0.00 C ATOM 868 O SER A 62 -14.479 -9.363 -1.264 1.00 0.00 O ATOM 869 CB SER A 62 -17.398 -8.164 -0.437 1.00 0.00 C ATOM 870 OG SER A 62 -18.699 -8.229 0.119 1.00 0.00 O ATOM 0 H SER A 62 -15.146 -9.492 0.982 1.00 0.00 H new ATOM 0 HA SER A 62 -17.464 -10.306 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.798 -7.443 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.456 -7.806 -1.465 1.00 0.00 H new ATOM 0 HG SER A 62 -18.762 -9.004 0.715 1.00 0.00 H new ATOM 876 N SER A 63 -16.095 -9.965 -2.710 1.00 0.00 N ATOM 877 CA SER A 63 -15.188 -10.082 -3.846 1.00 0.00 C ATOM 878 C SER A 63 -13.926 -10.846 -3.456 1.00 0.00 C ATOM 879 O SER A 63 -12.817 -10.471 -3.837 1.00 0.00 O ATOM 880 CB SER A 63 -14.816 -8.695 -4.374 1.00 0.00 C ATOM 881 OG SER A 63 -13.938 -8.029 -3.483 1.00 0.00 O ATOM 0 H SER A 63 -17.070 -10.174 -2.926 1.00 0.00 H new ATOM 0 HA SER A 63 -15.699 -10.637 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.344 -8.789 -5.352 1.00 0.00 H new ATOM 0 HB3 SER A 63 -15.719 -8.101 -4.512 1.00 0.00 H new ATOM 0 HG SER A 63 -13.903 -8.516 -2.633 1.00 0.00 H new ATOM 887 N GLY A 64 -14.103 -11.919 -2.692 1.00 0.00 N ATOM 888 CA GLY A 64 -12.971 -12.719 -2.262 1.00 0.00 C ATOM 889 C GLY A 64 -12.036 -11.955 -1.346 1.00 0.00 C ATOM 890 O GLY A 64 -11.536 -12.534 -0.383 1.00 0.00 O ATOM 0 H GLY A 64 -15.010 -12.249 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.333 -13.608 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.418 -13.061 -3.137 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 0.920 5.336 7.416 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.521 0.412 2.700 1.00 0.00 ZN