USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 337 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 THR OG1 : rot 91:sc=-0.00341 USER MOD Set 1.2: A 33 ASN : amide:sc= -4.22! C(o=-4.2!,f=-9!) USER MOD Set 1.3: A 36 ASN : amide:sc= 0.00955 X(o=-4.2,f=-4.2) USER MOD Single : A 1 LEU N :NH3+ -178:sc= 0 (180deg=-0.00127) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -26:sc= 0.495 USER MOD Single : A 11 TYR OH : rot 155:sc= -3.72! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.871 X(o=-0.87,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 165:sc= -0.352 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc=-0.00433 X(o=-0.0043,f=0.17) USER MOD Single : A 44 SER OG : rot 180:sc= -0.01 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -0.487 X(o=-0.49,f=-0.61) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -15.836 9.946 8.641 1.00 0.00 N ATOM 2 CA LEU A 1 -14.983 9.058 7.871 1.00 0.00 C ATOM 3 C LEU A 1 -15.854 8.156 6.993 1.00 0.00 C ATOM 4 O LEU A 1 -16.707 7.428 7.498 1.00 0.00 O ATOM 5 CB LEU A 1 -14.037 8.287 8.795 1.00 0.00 C ATOM 6 CG LEU A 1 -12.871 9.087 9.378 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.643 8.732 10.849 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.605 8.900 8.540 1.00 0.00 C ATOM 0 H1 LEU A 1 -15.247 10.584 9.213 1.00 0.00 H new ATOM 0 H2 LEU A 1 -16.426 10.507 7.994 1.00 0.00 H new ATOM 0 H3 LEU A 1 -16.447 9.384 9.267 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.341 9.632 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -14.620 7.878 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -13.630 7.440 8.242 1.00 0.00 H new ATOM 0 HG LEU A 1 -13.129 10.145 9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.808 9.315 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.542 8.958 11.422 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -12.415 7.670 10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.791 9.479 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -11.332 7.845 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -11.789 9.242 7.522 1.00 0.00 H new ATOM 19 N ALA A 2 -15.609 8.235 5.693 1.00 0.00 N ATOM 20 CA ALA A 2 -16.359 7.435 4.741 1.00 0.00 C ATOM 21 C ALA A 2 -15.420 6.950 3.635 1.00 0.00 C ATOM 22 O ALA A 2 -15.655 7.210 2.457 1.00 0.00 O ATOM 23 CB ALA A 2 -17.527 8.257 4.192 1.00 0.00 C ATOM 0 H ALA A 2 -14.902 8.841 5.277 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.778 6.554 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.090 7.657 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.181 8.553 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.143 9.148 3.695 1.00 0.00 H new ATOM 29 N ALA A 3 -14.373 6.253 4.056 1.00 0.00 N ATOM 30 CA ALA A 3 -13.397 5.729 3.116 1.00 0.00 C ATOM 31 C ALA A 3 -12.443 4.785 3.853 1.00 0.00 C ATOM 32 O ALA A 3 -12.128 5.002 5.021 1.00 0.00 O ATOM 33 CB ALA A 3 -12.663 6.889 2.442 1.00 0.00 C ATOM 0 H ALA A 3 -14.180 6.040 5.035 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.889 5.155 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.931 6.496 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.381 7.513 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -12.154 7.486 3.199 1.00 0.00 H new ATOM 39 N VAL A 4 -12.011 3.756 3.137 1.00 0.00 N ATOM 40 CA VAL A 4 -11.099 2.779 3.708 1.00 0.00 C ATOM 41 C VAL A 4 -9.695 3.383 3.788 1.00 0.00 C ATOM 42 O VAL A 4 -9.478 4.516 3.362 1.00 0.00 O ATOM 43 CB VAL A 4 -11.148 1.483 2.896 1.00 0.00 C ATOM 44 CG1 VAL A 4 -10.258 1.581 1.655 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.756 0.281 3.758 1.00 0.00 C ATOM 0 H VAL A 4 -12.275 3.578 2.168 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.400 2.523 4.724 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.175 1.335 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.310 0.647 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.601 2.402 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.228 1.764 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.799 -0.627 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.743 0.419 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.447 0.194 4.597 1.00 0.00 H new ATOM 55 N SER A 5 -8.780 2.599 4.338 1.00 0.00 N ATOM 56 CA SER A 5 -7.403 3.042 4.480 1.00 0.00 C ATOM 57 C SER A 5 -6.500 1.848 4.795 1.00 0.00 C ATOM 58 O SER A 5 -6.928 0.894 5.442 1.00 0.00 O ATOM 59 CB SER A 5 -7.277 4.106 5.572 1.00 0.00 C ATOM 60 OG SER A 5 -6.200 5.005 5.320 1.00 0.00 O ATOM 0 H SER A 5 -8.965 1.660 4.691 1.00 0.00 H new ATOM 0 HA SER A 5 -7.088 3.489 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.209 4.667 5.641 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.126 3.620 6.536 1.00 0.00 H new ATOM 0 HG SER A 5 -6.154 5.670 6.038 1.00 0.00 H new ATOM 65 N VAL A 6 -5.265 1.941 4.323 1.00 0.00 N ATOM 66 CA VAL A 6 -4.297 0.881 4.546 1.00 0.00 C ATOM 67 C VAL A 6 -3.390 1.263 5.718 1.00 0.00 C ATOM 68 O VAL A 6 -3.046 2.431 5.886 1.00 0.00 O ATOM 69 CB VAL A 6 -3.521 0.600 3.257 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.509 -0.529 3.460 1.00 0.00 C ATOM 71 CG2 VAL A 6 -4.474 0.282 2.103 1.00 0.00 C ATOM 0 H VAL A 6 -4.913 2.734 3.787 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.802 -0.047 4.814 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.967 1.502 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.972 -0.708 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.801 -0.247 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.032 -1.438 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.898 0.086 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.067 -0.598 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.137 1.131 1.934 1.00 0.00 H new ATOM 81 N ASP A 7 -3.030 0.254 6.499 1.00 0.00 N ATOM 82 CA ASP A 7 -2.171 0.469 7.650 1.00 0.00 C ATOM 83 C ASP A 7 -0.708 0.440 7.201 1.00 0.00 C ATOM 84 O ASP A 7 -0.236 -0.569 6.678 1.00 0.00 O ATOM 85 CB ASP A 7 -2.366 -0.630 8.696 1.00 0.00 C ATOM 86 CG ASP A 7 -1.362 -0.611 9.851 1.00 0.00 C ATOM 87 OD1 ASP A 7 -0.631 0.372 10.045 1.00 0.00 O ATOM 88 OD2 ASP A 7 -1.347 -1.676 10.578 1.00 0.00 O ATOM 0 H ASP A 7 -3.318 -0.714 6.357 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.429 1.433 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.372 -0.544 9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.306 -1.598 8.199 1.00 0.00 H new ATOM 93 N CYS A 8 -0.032 1.556 7.424 1.00 0.00 N ATOM 94 CA CYS A 8 1.368 1.672 7.049 1.00 0.00 C ATOM 95 C CYS A 8 2.137 2.249 8.239 1.00 0.00 C ATOM 96 O CYS A 8 3.285 2.667 8.097 1.00 0.00 O ATOM 97 CB CYS A 8 1.548 2.518 5.788 1.00 0.00 C ATOM 98 SG CYS A 8 0.558 1.972 4.349 1.00 0.00 S ATOM 0 H CYS A 8 -0.427 2.389 7.860 1.00 0.00 H new ATOM 0 HA CYS A 8 1.765 0.687 6.804 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.287 3.551 6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.602 2.511 5.510 1.00 0.00 H new ATOM 102 N SER A 9 1.475 2.254 9.386 1.00 0.00 N ATOM 103 CA SER A 9 2.082 2.774 10.599 1.00 0.00 C ATOM 104 C SER A 9 2.797 1.648 11.349 1.00 0.00 C ATOM 105 O SER A 9 2.844 1.648 12.578 1.00 0.00 O ATOM 106 CB SER A 9 1.035 3.431 11.502 1.00 0.00 C ATOM 107 OG SER A 9 0.061 2.497 11.957 1.00 0.00 O ATOM 0 H SER A 9 0.523 1.906 9.501 1.00 0.00 H new ATOM 0 HA SER A 9 2.809 3.536 10.318 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.530 3.885 12.360 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.540 4.235 10.957 1.00 0.00 H new ATOM 0 HG SER A 9 -0.013 1.762 11.313 1.00 0.00 H new ATOM 112 N GLU A 10 3.338 0.716 10.578 1.00 0.00 N ATOM 113 CA GLU A 10 4.049 -0.413 11.153 1.00 0.00 C ATOM 114 C GLU A 10 5.265 -0.768 10.296 1.00 0.00 C ATOM 115 O GLU A 10 5.848 -1.840 10.452 1.00 0.00 O ATOM 116 CB GLU A 10 3.122 -1.619 11.317 1.00 0.00 C ATOM 117 CG GLU A 10 1.936 -1.534 10.354 1.00 0.00 C ATOM 118 CD GLU A 10 2.405 -1.609 8.899 1.00 0.00 C ATOM 119 OE1 GLU A 10 2.709 -0.571 8.291 1.00 0.00 O ATOM 120 OE2 GLU A 10 2.448 -2.798 8.400 1.00 0.00 O ATOM 0 H GLU A 10 3.298 0.720 9.559 1.00 0.00 H new ATOM 0 HA GLU A 10 4.400 -0.129 12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.679 -2.538 11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.759 -1.666 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.239 -2.347 10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.396 -0.602 10.518 1.00 0.00 H new ATOM 126 N TYR A 11 5.612 0.154 9.409 1.00 0.00 N ATOM 127 CA TYR A 11 6.749 -0.049 8.526 1.00 0.00 C ATOM 128 C TYR A 11 7.973 0.721 9.024 1.00 0.00 C ATOM 129 O TYR A 11 7.855 1.597 9.879 1.00 0.00 O ATOM 130 CB TYR A 11 6.330 0.510 7.165 1.00 0.00 C ATOM 131 CG TYR A 11 6.111 -0.562 6.093 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.006 -1.385 6.157 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.019 -0.703 5.065 1.00 0.00 C ATOM 134 CE1 TYR A 11 4.800 -2.392 5.149 1.00 0.00 C ATOM 135 CE2 TYR A 11 6.814 -1.711 4.056 1.00 0.00 C ATOM 136 CZ TYR A 11 5.714 -2.505 4.148 1.00 0.00 C ATOM 137 OH TYR A 11 5.520 -3.458 3.197 1.00 0.00 O ATOM 0 H TYR A 11 5.127 1.042 9.283 1.00 0.00 H new ATOM 0 HA TYR A 11 7.017 -1.105 8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.410 1.082 7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.094 1.206 6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.296 -1.274 6.963 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.884 -0.058 5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.939 -3.043 5.187 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.518 -1.833 3.246 1.00 0.00 H new ATOM 0 HH TYR A 11 5.976 -3.193 2.371 1.00 0.00 H new ATOM 146 N PRO A 12 9.153 0.356 8.454 1.00 0.00 N ATOM 147 CA PRO A 12 9.205 -0.692 7.449 1.00 0.00 C ATOM 148 C PRO A 12 9.047 -2.074 8.088 1.00 0.00 C ATOM 149 O PRO A 12 9.451 -2.283 9.230 1.00 0.00 O ATOM 150 CB PRO A 12 10.546 -0.508 6.757 1.00 0.00 C ATOM 151 CG PRO A 12 11.390 0.334 7.701 1.00 0.00 C ATOM 152 CD PRO A 12 10.462 0.928 8.750 1.00 0.00 C ATOM 0 HA PRO A 12 8.388 -0.626 6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.020 -1.470 6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.424 -0.012 5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.159 -0.277 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.903 1.124 7.153 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.788 0.671 9.758 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.441 2.016 8.690 1.00 0.00 H new ATOM 157 N LYS A 13 8.456 -2.980 7.323 1.00 0.00 N ATOM 158 CA LYS A 13 8.240 -4.335 7.800 1.00 0.00 C ATOM 159 C LYS A 13 9.260 -5.271 7.148 1.00 0.00 C ATOM 160 O LYS A 13 9.678 -5.045 6.014 1.00 0.00 O ATOM 161 CB LYS A 13 6.786 -4.757 7.574 1.00 0.00 C ATOM 162 CG LYS A 13 5.873 -4.178 8.656 1.00 0.00 C ATOM 163 CD LYS A 13 4.731 -5.142 8.983 1.00 0.00 C ATOM 164 CE LYS A 13 3.868 -5.410 7.749 1.00 0.00 C ATOM 165 NZ LYS A 13 2.786 -6.368 8.069 1.00 0.00 N ATOM 0 H LYS A 13 8.120 -2.802 6.376 1.00 0.00 H new ATOM 0 HA LYS A 13 8.401 -4.389 8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.453 -4.418 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.715 -5.845 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.453 -3.977 9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.464 -3.225 8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.139 -6.081 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.114 -4.724 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.439 -4.475 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.487 -5.807 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.210 -6.538 7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.201 -7.265 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.185 -5.975 8.821 1.00 0.00 H new ATOM 175 N ASP A 14 9.631 -6.301 7.892 1.00 0.00 N ATOM 176 CA ASP A 14 10.595 -7.272 7.401 1.00 0.00 C ATOM 177 C ASP A 14 9.920 -8.640 7.286 1.00 0.00 C ATOM 178 O ASP A 14 10.179 -9.533 8.092 1.00 0.00 O ATOM 179 CB ASP A 14 11.779 -7.407 8.361 1.00 0.00 C ATOM 180 CG ASP A 14 12.934 -6.437 8.104 1.00 0.00 C ATOM 181 OD1 ASP A 14 12.936 -5.301 8.599 1.00 0.00 O ATOM 182 OD2 ASP A 14 13.873 -6.896 7.349 1.00 0.00 O ATOM 0 H ASP A 14 9.282 -6.485 8.832 1.00 0.00 H new ATOM 0 HA ASP A 14 10.955 -6.929 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.420 -7.259 9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.161 -8.426 8.302 1.00 0.00 H new ATOM 187 N ALA A 15 9.069 -8.763 6.278 1.00 0.00 N ATOM 188 CA ALA A 15 8.356 -10.007 6.048 1.00 0.00 C ATOM 189 C ALA A 15 7.511 -9.878 4.779 1.00 0.00 C ATOM 190 O ALA A 15 7.403 -10.826 4.002 1.00 0.00 O ATOM 191 CB ALA A 15 7.512 -10.347 7.278 1.00 0.00 C ATOM 0 H ALA A 15 8.857 -8.021 5.611 1.00 0.00 H new ATOM 0 HA ALA A 15 9.056 -10.828 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.977 -11.281 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.162 -10.456 8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.795 -9.546 7.460 1.00 0.00 H new ATOM 197 N CYS A 16 6.934 -8.698 4.607 1.00 0.00 N ATOM 198 CA CYS A 16 6.103 -8.433 3.446 1.00 0.00 C ATOM 199 C CYS A 16 4.971 -9.462 3.421 1.00 0.00 C ATOM 200 O CYS A 16 4.848 -10.277 4.334 1.00 0.00 O ATOM 201 CB CYS A 16 6.918 -8.448 2.151 1.00 0.00 C ATOM 202 SG CYS A 16 6.268 -7.372 0.822 1.00 0.00 S ATOM 0 H CYS A 16 7.026 -7.914 5.253 1.00 0.00 H new ATOM 0 HA CYS A 16 5.680 -7.431 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.940 -8.144 2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.965 -9.472 1.780 1.00 0.00 H new ATOM 206 N THR A 17 4.174 -9.392 2.365 1.00 0.00 N ATOM 207 CA THR A 17 3.057 -10.308 2.208 1.00 0.00 C ATOM 208 C THR A 17 3.269 -11.204 0.986 1.00 0.00 C ATOM 209 O THR A 17 3.864 -10.781 -0.003 1.00 0.00 O ATOM 210 CB THR A 17 1.773 -9.479 2.137 1.00 0.00 C ATOM 211 OG1 THR A 17 1.896 -8.750 0.920 1.00 0.00 O ATOM 212 CG2 THR A 17 1.714 -8.395 3.216 1.00 0.00 C ATOM 0 H THR A 17 4.280 -8.715 1.610 1.00 0.00 H new ATOM 0 HA THR A 17 2.978 -10.985 3.059 1.00 0.00 H new ATOM 0 HB THR A 17 0.911 -10.138 2.237 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.493 -9.263 0.189 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.783 -7.837 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.759 -8.859 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.558 -7.716 3.096 1.00 0.00 H new ATOM 220 N LEU A 18 2.770 -12.427 1.096 1.00 0.00 N ATOM 221 CA LEU A 18 2.899 -13.387 0.013 1.00 0.00 C ATOM 222 C LEU A 18 1.660 -13.307 -0.882 1.00 0.00 C ATOM 223 O LEU A 18 1.652 -13.848 -1.987 1.00 0.00 O ATOM 224 CB LEU A 18 3.167 -14.788 0.567 1.00 0.00 C ATOM 225 CG LEU A 18 4.638 -15.193 0.681 1.00 0.00 C ATOM 226 CD1 LEU A 18 5.102 -15.166 2.139 1.00 0.00 C ATOM 227 CD2 LEU A 18 4.885 -16.552 0.026 1.00 0.00 C ATOM 0 H LEU A 18 2.276 -12.775 1.918 1.00 0.00 H new ATOM 0 HA LEU A 18 3.761 -13.146 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.713 -14.859 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.659 -15.512 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 18 5.237 -14.461 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.151 -15.458 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.985 -14.159 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.501 -15.862 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.938 -16.816 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.275 -17.309 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.618 -16.501 -1.030 1.00 0.00 H new ATOM 238 N GLU A 19 0.643 -12.628 -0.372 1.00 0.00 N ATOM 239 CA GLU A 19 -0.598 -12.471 -1.112 1.00 0.00 C ATOM 240 C GLU A 19 -0.403 -11.494 -2.273 1.00 0.00 C ATOM 241 O GLU A 19 0.466 -10.624 -2.219 1.00 0.00 O ATOM 242 CB GLU A 19 -1.730 -12.010 -0.191 1.00 0.00 C ATOM 243 CG GLU A 19 -1.259 -10.888 0.738 1.00 0.00 C ATOM 244 CD GLU A 19 -1.134 -11.387 2.179 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.523 -12.438 2.422 1.00 0.00 O ATOM 246 OE2 GLU A 19 -1.701 -10.640 3.066 1.00 0.00 O ATOM 0 H GLU A 19 0.653 -12.180 0.544 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.880 -13.441 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.572 -11.662 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.087 -12.852 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.296 -10.508 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.963 -10.057 0.697 1.00 0.00 H new ATOM 252 N TYR A 20 -1.227 -11.668 -3.295 1.00 0.00 N ATOM 253 CA TYR A 20 -1.156 -10.813 -4.467 1.00 0.00 C ATOM 254 C TYR A 20 -2.384 -9.904 -4.558 1.00 0.00 C ATOM 255 O TYR A 20 -3.480 -10.365 -4.876 1.00 0.00 O ATOM 256 CB TYR A 20 -1.142 -11.753 -5.675 1.00 0.00 C ATOM 257 CG TYR A 20 -0.425 -11.181 -6.900 1.00 0.00 C ATOM 258 CD1 TYR A 20 -0.453 -9.823 -7.144 1.00 0.00 C ATOM 259 CD2 TYR A 20 0.248 -12.023 -7.761 1.00 0.00 C ATOM 260 CE1 TYR A 20 0.221 -9.284 -8.296 1.00 0.00 C ATOM 261 CE2 TYR A 20 0.923 -11.484 -8.914 1.00 0.00 C ATOM 262 CZ TYR A 20 0.876 -10.142 -9.125 1.00 0.00 C ATOM 263 OH TYR A 20 1.513 -9.634 -10.214 1.00 0.00 O ATOM 0 H TYR A 20 -1.948 -12.389 -3.336 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.273 -10.175 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.661 -12.688 -5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.170 -11.993 -5.947 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.981 -9.164 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.269 -13.086 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.207 -8.223 -8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.454 -12.132 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 20 1.938 -10.362 -10.714 1.00 0.00 H new ATOM 272 N ARG A 21 -2.160 -8.630 -4.274 1.00 0.00 N ATOM 273 CA ARG A 21 -3.235 -7.653 -4.319 1.00 0.00 C ATOM 274 C ARG A 21 -2.718 -6.320 -4.866 1.00 0.00 C ATOM 275 O ARG A 21 -2.117 -5.536 -4.132 1.00 0.00 O ATOM 276 CB ARG A 21 -3.835 -7.429 -2.929 1.00 0.00 C ATOM 277 CG ARG A 21 -2.735 -7.236 -1.883 1.00 0.00 C ATOM 278 CD ARG A 21 -3.136 -7.860 -0.545 1.00 0.00 C ATOM 279 NE ARG A 21 -3.620 -9.243 -0.757 1.00 0.00 N ATOM 280 CZ ARG A 21 -4.438 -9.890 0.085 1.00 0.00 C ATOM 281 NH1 ARG A 21 -4.869 -9.283 1.199 1.00 0.00 N ATOM 282 NH2 ARG A 21 -4.826 -11.143 -0.188 1.00 0.00 N ATOM 0 H ARG A 21 -1.250 -8.251 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.011 -8.043 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.484 -6.553 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.457 -8.281 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.809 -7.689 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.539 -6.172 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.283 -7.864 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.915 -7.261 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.312 -9.734 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.575 -8.329 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.491 -9.775 1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.499 -11.605 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.448 -11.635 0.453 1.00 0.00 H new ATOM 293 N PRO A 22 -2.976 -6.099 -6.182 1.00 0.00 N ATOM 294 CA PRO A 22 -2.544 -4.875 -6.835 1.00 0.00 C ATOM 295 C PRO A 22 -3.428 -3.695 -6.428 1.00 0.00 C ATOM 296 O PRO A 22 -4.631 -3.699 -6.682 1.00 0.00 O ATOM 297 CB PRO A 22 -2.607 -5.180 -8.322 1.00 0.00 C ATOM 298 CG PRO A 22 -3.510 -6.395 -8.462 1.00 0.00 C ATOM 299 CD PRO A 22 -3.684 -7.006 -7.081 1.00 0.00 C ATOM 0 HA PRO A 22 -1.536 -4.576 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.006 -4.331 -8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.613 -5.384 -8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.476 -6.107 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.072 -7.120 -9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.738 -7.086 -6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.267 -8.012 -7.038 1.00 0.00 H new ATOM 304 N LEU A 23 -2.797 -2.712 -5.801 1.00 0.00 N ATOM 305 CA LEU A 23 -3.512 -1.529 -5.356 1.00 0.00 C ATOM 306 C LEU A 23 -2.906 -0.292 -6.024 1.00 0.00 C ATOM 307 O LEU A 23 -1.700 -0.235 -6.255 1.00 0.00 O ATOM 308 CB LEU A 23 -3.530 -1.456 -3.828 1.00 0.00 C ATOM 309 CG LEU A 23 -2.163 -1.503 -3.139 1.00 0.00 C ATOM 310 CD1 LEU A 23 -2.150 -0.622 -1.888 1.00 0.00 C ATOM 311 CD2 LEU A 23 -1.757 -2.945 -2.828 1.00 0.00 C ATOM 0 H LEU A 23 -1.799 -2.711 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.557 -1.578 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.032 -0.534 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.134 -2.282 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.419 -1.099 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.168 -0.673 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.366 0.409 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.907 -0.974 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.783 -2.951 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.497 -3.397 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.701 -3.515 -3.755 1.00 0.00 H new ATOM 322 N CYS A 24 -3.772 0.668 -6.316 1.00 0.00 N ATOM 323 CA CYS A 24 -3.338 1.899 -6.952 1.00 0.00 C ATOM 324 C CYS A 24 -3.297 3.000 -5.890 1.00 0.00 C ATOM 325 O CYS A 24 -4.264 3.197 -5.157 1.00 0.00 O ATOM 326 CB CYS A 24 -4.240 2.276 -8.130 1.00 0.00 C ATOM 327 SG CYS A 24 -3.859 3.892 -8.901 1.00 0.00 S ATOM 0 H CYS A 24 -4.772 0.617 -6.123 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.341 1.763 -7.371 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.164 1.499 -8.891 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.275 2.287 -7.788 1.00 0.00 H new ATOM 331 N GLY A 25 -2.166 3.689 -5.842 1.00 0.00 N ATOM 332 CA GLY A 25 -1.985 4.765 -4.882 1.00 0.00 C ATOM 333 C GLY A 25 -2.532 6.086 -5.429 1.00 0.00 C ATOM 334 O GLY A 25 -3.045 6.134 -6.546 1.00 0.00 O ATOM 0 H GLY A 25 -1.366 3.523 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.493 4.515 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.926 4.875 -4.649 1.00 0.00 H new ATOM 338 N SER A 26 -2.404 7.123 -4.617 1.00 0.00 N ATOM 339 CA SER A 26 -2.878 8.442 -5.005 1.00 0.00 C ATOM 340 C SER A 26 -1.971 9.025 -6.090 1.00 0.00 C ATOM 341 O SER A 26 -2.401 9.867 -6.877 1.00 0.00 O ATOM 342 CB SER A 26 -2.938 9.382 -3.801 1.00 0.00 C ATOM 343 OG SER A 26 -3.027 10.749 -4.196 1.00 0.00 O ATOM 0 H SER A 26 -1.979 7.078 -3.691 1.00 0.00 H new ATOM 0 HA SER A 26 -3.888 8.340 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.799 9.126 -3.184 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.050 9.239 -3.185 1.00 0.00 H new ATOM 0 HG SER A 26 -3.065 11.318 -3.399 1.00 0.00 H new ATOM 348 N ASP A 27 -0.732 8.554 -6.097 1.00 0.00 N ATOM 349 CA ASP A 27 0.240 9.020 -7.073 1.00 0.00 C ATOM 350 C ASP A 27 0.163 8.140 -8.322 1.00 0.00 C ATOM 351 O ASP A 27 1.064 8.164 -9.159 1.00 0.00 O ATOM 352 CB ASP A 27 1.663 8.931 -6.518 1.00 0.00 C ATOM 353 CG ASP A 27 2.064 7.555 -5.984 1.00 0.00 C ATOM 354 OD1 ASP A 27 1.252 6.847 -5.368 1.00 0.00 O ATOM 355 OD2 ASP A 27 3.283 7.210 -6.224 1.00 0.00 O ATOM 0 H ASP A 27 -0.379 7.855 -5.443 1.00 0.00 H new ATOM 0 HA ASP A 27 0.010 10.059 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.362 9.217 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.770 9.661 -5.715 1.00 0.00 H new ATOM 360 N ASN A 28 -0.921 7.382 -8.408 1.00 0.00 N ATOM 361 CA ASN A 28 -1.127 6.497 -9.541 1.00 0.00 C ATOM 362 C ASN A 28 -0.015 5.446 -9.569 1.00 0.00 C ATOM 363 O ASN A 28 0.514 5.124 -10.633 1.00 0.00 O ATOM 364 CB ASN A 28 -1.080 7.269 -10.861 1.00 0.00 C ATOM 365 CG ASN A 28 -1.347 6.342 -12.048 1.00 0.00 C ATOM 366 OD1 ASN A 28 -2.331 5.623 -12.098 1.00 0.00 O ATOM 367 ND2 ASN A 28 -0.419 6.400 -12.999 1.00 0.00 N ATOM 0 H ASN A 28 -1.666 7.363 -7.711 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.107 6.032 -9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.821 8.068 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.104 7.741 -10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.507 5.820 -13.833 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.381 7.024 -12.894 1.00 0.00 H new ATOM 373 N LYS A 29 0.308 4.940 -8.388 1.00 0.00 N ATOM 374 CA LYS A 29 1.347 3.932 -8.264 1.00 0.00 C ATOM 375 C LYS A 29 0.708 2.587 -7.916 1.00 0.00 C ATOM 376 O LYS A 29 0.021 2.465 -6.902 1.00 0.00 O ATOM 377 CB LYS A 29 2.414 4.382 -7.264 1.00 0.00 C ATOM 378 CG LYS A 29 3.772 4.546 -7.948 1.00 0.00 C ATOM 379 CD LYS A 29 4.887 3.910 -7.115 1.00 0.00 C ATOM 380 CE LYS A 29 5.550 2.759 -7.875 1.00 0.00 C ATOM 381 NZ LYS A 29 6.364 1.934 -6.956 1.00 0.00 N ATOM 0 H LYS A 29 -0.132 5.209 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 29 1.867 3.803 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.116 5.326 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.494 3.652 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.744 4.086 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.983 5.605 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.634 4.663 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.478 3.542 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.787 2.141 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.179 3.156 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.807 1.157 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.103 2.523 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.755 1.540 -6.211 1.00 0.00 H new ATOM 391 N THR A 30 0.955 1.609 -8.775 1.00 0.00 N ATOM 392 CA THR A 30 0.413 0.277 -8.572 1.00 0.00 C ATOM 393 C THR A 30 1.387 -0.577 -7.757 1.00 0.00 C ATOM 394 O THR A 30 2.549 -0.726 -8.130 1.00 0.00 O ATOM 395 CB THR A 30 0.086 -0.316 -9.944 1.00 0.00 C ATOM 396 OG1 THR A 30 -0.969 0.506 -10.435 1.00 0.00 O ATOM 397 CG2 THR A 30 -0.541 -1.707 -9.846 1.00 0.00 C ATOM 0 H THR A 30 1.525 1.713 -9.615 1.00 0.00 H new ATOM 0 HA THR A 30 -0.507 0.310 -7.989 1.00 0.00 H new ATOM 0 HB THR A 30 0.996 -0.369 -10.542 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.242 0.193 -11.323 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.753 -2.082 -10.847 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.151 -2.384 -9.345 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.468 -1.649 -9.276 1.00 0.00 H new ATOM 405 N TYR A 31 0.876 -1.116 -6.660 1.00 0.00 N ATOM 406 CA TYR A 31 1.686 -1.951 -5.789 1.00 0.00 C ATOM 407 C TYR A 31 1.138 -3.379 -5.733 1.00 0.00 C ATOM 408 O TYR A 31 -0.052 -3.581 -5.499 1.00 0.00 O ATOM 409 CB TYR A 31 1.590 -1.326 -4.396 1.00 0.00 C ATOM 410 CG TYR A 31 2.011 0.144 -4.343 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.352 0.478 -4.328 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.053 1.136 -4.312 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.748 1.862 -4.278 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.449 2.520 -4.262 1.00 0.00 C ATOM 415 CZ TYR A 31 2.777 2.814 -4.248 1.00 0.00 C ATOM 416 OH TYR A 31 3.152 4.121 -4.202 1.00 0.00 O ATOM 0 H TYR A 31 -0.089 -0.991 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 31 2.712 -2.004 -6.154 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.563 -1.412 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.214 -1.897 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.103 -0.298 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.005 0.875 -4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.792 2.138 -4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.709 3.306 -4.236 1.00 0.00 H new ATOM 0 HH TYR A 31 2.385 4.689 -4.425 1.00 0.00 H new ATOM 425 N GLY A 32 2.033 -4.331 -5.953 1.00 0.00 N ATOM 426 CA GLY A 32 1.654 -5.733 -5.930 1.00 0.00 C ATOM 427 C GLY A 32 0.844 -6.062 -4.674 1.00 0.00 C ATOM 428 O GLY A 32 -0.165 -6.760 -4.747 1.00 0.00 O ATOM 0 H GLY A 32 3.019 -4.159 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.067 -5.969 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.548 -6.356 -5.964 1.00 0.00 H new ATOM 432 N ASN A 33 1.319 -5.544 -3.551 1.00 0.00 N ATOM 433 CA ASN A 33 0.653 -5.774 -2.280 1.00 0.00 C ATOM 434 C ASN A 33 0.745 -4.510 -1.424 1.00 0.00 C ATOM 435 O ASN A 33 1.467 -3.575 -1.768 1.00 0.00 O ATOM 436 CB ASN A 33 1.316 -6.917 -1.509 1.00 0.00 C ATOM 437 CG ASN A 33 2.715 -7.208 -2.055 1.00 0.00 C ATOM 438 OD1 ASN A 33 3.425 -6.328 -2.514 1.00 0.00 O ATOM 439 ND2 ASN A 33 3.072 -8.487 -1.979 1.00 0.00 N ATOM 0 H ASN A 33 2.157 -4.966 -3.495 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.385 -6.033 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.381 -6.658 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.700 -7.814 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.988 -8.782 -2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.429 -9.173 -1.583 1.00 0.00 H new ATOM 445 N LYS A 34 0.005 -4.523 -0.326 1.00 0.00 N ATOM 446 CA LYS A 34 -0.005 -3.388 0.583 1.00 0.00 C ATOM 447 C LYS A 34 1.392 -3.207 1.181 1.00 0.00 C ATOM 448 O LYS A 34 1.683 -2.175 1.784 1.00 0.00 O ATOM 449 CB LYS A 34 -1.106 -3.552 1.632 1.00 0.00 C ATOM 450 CG LYS A 34 -0.569 -3.279 3.039 1.00 0.00 C ATOM 451 CD LYS A 34 -1.618 -3.614 4.101 1.00 0.00 C ATOM 452 CE LYS A 34 -0.972 -4.270 5.322 1.00 0.00 C ATOM 453 NZ LYS A 34 -1.860 -5.314 5.881 1.00 0.00 N ATOM 0 H LYS A 34 -0.592 -5.301 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.243 -2.471 0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.926 -2.868 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.512 -4.563 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.329 -3.872 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.281 -2.231 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.137 -2.705 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.368 -4.283 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.015 -4.710 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.766 -3.515 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.406 -5.749 6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.763 -4.885 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.036 -6.043 5.160 1.00 0.00 H new ATOM 463 N CYS A 35 2.219 -4.224 0.992 1.00 0.00 N ATOM 464 CA CYS A 35 3.577 -4.190 1.505 1.00 0.00 C ATOM 465 C CYS A 35 4.383 -3.196 0.667 1.00 0.00 C ATOM 466 O CYS A 35 5.035 -2.305 1.210 1.00 0.00 O ATOM 467 CB CYS A 35 4.216 -5.581 1.510 1.00 0.00 C ATOM 468 SG CYS A 35 4.840 -6.143 -0.116 1.00 0.00 S ATOM 0 H CYS A 35 1.974 -5.078 0.490 1.00 0.00 H new ATOM 0 HA CYS A 35 3.566 -3.863 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.042 -5.584 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.482 -6.302 1.871 1.00 0.00 H new ATOM 472 N ASN A 36 4.311 -3.380 -0.643 1.00 0.00 N ATOM 473 CA ASN A 36 5.024 -2.510 -1.563 1.00 0.00 C ATOM 474 C ASN A 36 4.464 -1.091 -1.453 1.00 0.00 C ATOM 475 O ASN A 36 5.218 -0.119 -1.474 1.00 0.00 O ATOM 476 CB ASN A 36 4.852 -2.977 -3.009 1.00 0.00 C ATOM 477 CG ASN A 36 6.160 -3.547 -3.561 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.892 -2.898 -4.291 1.00 0.00 O ATOM 479 ND2 ASN A 36 6.412 -4.794 -3.173 1.00 0.00 N ATOM 0 H ASN A 36 3.769 -4.120 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 36 6.082 -2.536 -1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.071 -3.736 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.525 -2.142 -3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.261 -5.264 -3.488 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.757 -5.280 -2.561 1.00 0.00 H new ATOM 485 N PHE A 37 3.146 -1.016 -1.341 1.00 0.00 N ATOM 486 CA PHE A 37 2.476 0.268 -1.229 1.00 0.00 C ATOM 487 C PHE A 37 2.885 0.990 0.057 1.00 0.00 C ATOM 488 O PHE A 37 3.288 2.150 0.020 1.00 0.00 O ATOM 489 CB PHE A 37 0.973 -0.014 -1.185 1.00 0.00 C ATOM 490 CG PHE A 37 0.140 1.135 -0.615 1.00 0.00 C ATOM 491 CD1 PHE A 37 -0.312 2.120 -1.436 1.00 0.00 C ATOM 492 CD2 PHE A 37 -0.148 1.173 0.713 1.00 0.00 C ATOM 493 CE1 PHE A 37 -1.085 3.188 -0.906 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.921 2.240 1.243 1.00 0.00 C ATOM 495 CZ PHE A 37 -1.373 3.224 0.421 1.00 0.00 C ATOM 0 H PHE A 37 2.524 -1.824 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 37 2.746 0.903 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.626 -0.235 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.799 -0.907 -0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.083 2.091 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.211 0.391 1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.443 3.971 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.150 2.270 2.298 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.962 4.035 0.823 1.00 0.00 H new ATOM 504 N CYS A 38 2.766 0.271 1.164 1.00 0.00 N ATOM 505 CA CYS A 38 3.118 0.828 2.459 1.00 0.00 C ATOM 506 C CYS A 38 4.584 1.263 2.412 1.00 0.00 C ATOM 507 O CYS A 38 4.938 2.323 2.926 1.00 0.00 O ATOM 508 CB CYS A 38 2.852 -0.164 3.593 1.00 0.00 C ATOM 509 SG CYS A 38 1.191 -0.038 4.350 1.00 0.00 S ATOM 0 H CYS A 38 2.431 -0.692 1.191 1.00 0.00 H new ATOM 0 HA CYS A 38 2.490 1.694 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.985 -1.176 3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.602 -0.016 4.370 1.00 0.00 H new ATOM 513 N ASN A 39 5.398 0.421 1.792 1.00 0.00 N ATOM 514 CA ASN A 39 6.818 0.705 1.671 1.00 0.00 C ATOM 515 C ASN A 39 7.007 2.068 1.001 1.00 0.00 C ATOM 516 O ASN A 39 7.937 2.801 1.328 1.00 0.00 O ATOM 517 CB ASN A 39 7.518 -0.347 0.810 1.00 0.00 C ATOM 518 CG ASN A 39 9.010 -0.422 1.142 1.00 0.00 C ATOM 519 OD1 ASN A 39 9.689 0.579 1.298 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.480 -1.663 1.243 1.00 0.00 N ATOM 0 H ASN A 39 5.101 -0.458 1.368 1.00 0.00 H new ATOM 0 HA ASN A 39 7.250 0.697 2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.056 -1.321 0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.388 -0.104 -0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.464 -1.819 1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.857 -2.458 1.100 1.00 0.00 H new ATOM 526 N ALA A 40 6.108 2.363 0.074 1.00 0.00 N ATOM 527 CA ALA A 40 6.162 3.625 -0.647 1.00 0.00 C ATOM 528 C ALA A 40 5.527 4.723 0.208 1.00 0.00 C ATOM 529 O ALA A 40 5.928 5.883 0.131 1.00 0.00 O ATOM 530 CB ALA A 40 5.473 3.468 -2.004 1.00 0.00 C ATOM 0 H ALA A 40 5.338 1.751 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 40 7.195 3.914 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.514 4.414 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.981 2.697 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.432 3.181 -1.853 1.00 0.00 H new ATOM 536 N VAL A 41 4.547 4.318 1.001 1.00 0.00 N ATOM 537 CA VAL A 41 3.852 5.254 1.870 1.00 0.00 C ATOM 538 C VAL A 41 4.796 5.707 2.984 1.00 0.00 C ATOM 539 O VAL A 41 5.082 6.896 3.116 1.00 0.00 O ATOM 540 CB VAL A 41 2.563 4.620 2.398 1.00 0.00 C ATOM 541 CG1 VAL A 41 1.995 5.427 3.567 1.00 0.00 C ATOM 542 CG2 VAL A 41 1.529 4.467 1.282 1.00 0.00 C ATOM 0 H VAL A 41 4.217 3.355 1.061 1.00 0.00 H new ATOM 0 HA VAL A 41 3.556 6.144 1.314 1.00 0.00 H new ATOM 0 HB VAL A 41 2.806 3.623 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.079 4.955 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.725 5.460 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.775 6.442 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.623 4.014 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.292 5.447 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.934 3.830 0.495 1.00 0.00 H new ATOM 552 N VAL A 42 5.255 4.735 3.758 1.00 0.00 N ATOM 553 CA VAL A 42 6.162 5.019 4.858 1.00 0.00 C ATOM 554 C VAL A 42 7.385 5.770 4.324 1.00 0.00 C ATOM 555 O VAL A 42 7.965 6.596 5.026 1.00 0.00 O ATOM 556 CB VAL A 42 6.527 3.723 5.583 1.00 0.00 C ATOM 557 CG1 VAL A 42 7.985 3.338 5.320 1.00 0.00 C ATOM 558 CG2 VAL A 42 6.253 3.839 7.084 1.00 0.00 C ATOM 0 H VAL A 42 5.016 3.750 3.646 1.00 0.00 H new ATOM 0 HA VAL A 42 5.680 5.663 5.594 1.00 0.00 H new ATOM 0 HB VAL A 42 5.895 2.929 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.218 2.413 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.136 3.194 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.641 4.133 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.521 2.904 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.848 4.652 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.195 4.044 7.246 1.00 0.00 H new ATOM 568 N GLU A 43 7.738 5.455 3.087 1.00 0.00 N ATOM 569 CA GLU A 43 8.881 6.090 2.451 1.00 0.00 C ATOM 570 C GLU A 43 8.609 7.580 2.236 1.00 0.00 C ATOM 571 O GLU A 43 9.481 8.415 2.471 1.00 0.00 O ATOM 572 CB GLU A 43 9.228 5.399 1.131 1.00 0.00 C ATOM 573 CG GLU A 43 10.395 4.427 1.311 1.00 0.00 C ATOM 574 CD GLU A 43 11.200 4.291 0.016 1.00 0.00 C ATOM 575 OE1 GLU A 43 11.173 5.198 -0.828 1.00 0.00 O ATOM 576 OE2 GLU A 43 11.872 3.197 -0.095 1.00 0.00 O ATOM 0 H GLU A 43 7.254 4.769 2.508 1.00 0.00 H new ATOM 0 HA GLU A 43 9.742 5.990 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.356 4.861 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.486 6.147 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.045 4.778 2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.016 3.450 1.612 1.00 0.00 H new ATOM 582 N SER A 44 7.394 7.868 1.791 1.00 0.00 N ATOM 583 CA SER A 44 6.996 9.244 1.541 1.00 0.00 C ATOM 584 C SER A 44 6.407 9.857 2.813 1.00 0.00 C ATOM 585 O SER A 44 5.354 10.491 2.771 1.00 0.00 O ATOM 586 CB SER A 44 5.985 9.324 0.396 1.00 0.00 C ATOM 587 OG SER A 44 6.283 10.387 -0.504 1.00 0.00 O ATOM 0 H SER A 44 6.673 7.173 1.597 1.00 0.00 H new ATOM 0 HA SER A 44 7.881 9.809 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.977 8.379 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.984 9.464 0.805 1.00 0.00 H new ATOM 0 HG SER A 44 5.616 10.404 -1.222 1.00 0.00 H new ATOM 592 N ASN A 45 7.113 9.648 3.915 1.00 0.00 N ATOM 593 CA ASN A 45 6.674 10.172 5.197 1.00 0.00 C ATOM 594 C ASN A 45 5.199 9.823 5.408 1.00 0.00 C ATOM 595 O ASN A 45 4.499 10.498 6.160 1.00 0.00 O ATOM 596 CB ASN A 45 6.810 11.695 5.244 1.00 0.00 C ATOM 597 CG ASN A 45 7.509 12.144 6.529 1.00 0.00 C ATOM 598 OD1 ASN A 45 6.898 12.315 7.571 1.00 0.00 O ATOM 599 ND2 ASN A 45 8.820 12.323 6.397 1.00 0.00 N ATOM 0 H ASN A 45 7.987 9.122 3.946 1.00 0.00 H new ATOM 0 HA ASN A 45 7.297 9.729 5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.376 12.040 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.823 12.154 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.377 12.621 7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.268 12.162 5.495 1.00 0.00 H new ATOM 605 N GLY A 46 4.771 8.768 4.729 1.00 0.00 N ATOM 606 CA GLY A 46 3.393 8.320 4.833 1.00 0.00 C ATOM 607 C GLY A 46 2.434 9.358 4.244 1.00 0.00 C ATOM 608 O GLY A 46 1.289 9.467 4.679 1.00 0.00 O ATOM 0 H GLY A 46 5.355 8.211 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.275 7.371 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.143 8.140 5.879 1.00 0.00 H new ATOM 612 N THR A 47 2.938 10.093 3.263 1.00 0.00 N ATOM 613 CA THR A 47 2.140 11.118 2.611 1.00 0.00 C ATOM 614 C THR A 47 1.286 10.502 1.500 1.00 0.00 C ATOM 615 O THR A 47 0.235 11.037 1.152 1.00 0.00 O ATOM 616 CB THR A 47 3.090 12.209 2.113 1.00 0.00 C ATOM 617 OG1 THR A 47 2.222 13.259 1.695 1.00 0.00 O ATOM 618 CG2 THR A 47 3.827 11.805 0.834 1.00 0.00 C ATOM 0 H THR A 47 3.888 9.999 2.904 1.00 0.00 H new ATOM 0 HA THR A 47 1.434 11.573 3.306 1.00 0.00 H new ATOM 0 HB THR A 47 3.816 12.442 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.755 14.009 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.488 12.614 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.416 10.907 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.103 11.605 0.044 1.00 0.00 H new ATOM 626 N LEU A 48 1.771 9.386 0.975 1.00 0.00 N ATOM 627 CA LEU A 48 1.066 8.691 -0.088 1.00 0.00 C ATOM 628 C LEU A 48 -0.199 8.044 0.482 1.00 0.00 C ATOM 629 O LEU A 48 -0.168 7.463 1.566 1.00 0.00 O ATOM 630 CB LEU A 48 1.997 7.705 -0.794 1.00 0.00 C ATOM 631 CG LEU A 48 1.321 6.511 -1.471 1.00 0.00 C ATOM 632 CD1 LEU A 48 0.714 6.914 -2.816 1.00 0.00 C ATOM 633 CD2 LEU A 48 2.292 5.337 -1.609 1.00 0.00 C ATOM 0 H LEU A 48 2.644 8.946 1.266 1.00 0.00 H new ATOM 0 HA LEU A 48 0.746 9.395 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.567 8.250 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.713 7.326 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 48 0.501 6.178 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.240 6.047 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.031 7.694 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.500 7.288 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.786 4.502 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.148 5.642 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.635 5.030 -0.621 1.00 0.00 H new ATOM 644 N THR A 49 -1.279 8.165 -0.274 1.00 0.00 N ATOM 645 CA THR A 49 -2.552 7.598 0.142 1.00 0.00 C ATOM 646 C THR A 49 -3.015 6.536 -0.856 1.00 0.00 C ATOM 647 O THR A 49 -2.551 6.506 -1.995 1.00 0.00 O ATOM 648 CB THR A 49 -3.547 8.747 0.313 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.515 9.424 -0.941 1.00 0.00 O ATOM 650 CG2 THR A 49 -3.064 9.798 1.315 1.00 0.00 C ATOM 0 H THR A 49 -1.300 8.647 -1.173 1.00 0.00 H new ATOM 0 HA THR A 49 -2.462 7.082 1.098 1.00 0.00 H new ATOM 0 HB THR A 49 -4.507 8.348 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.134 10.184 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.808 10.590 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.920 9.332 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.120 10.221 0.972 1.00 0.00 H new ATOM 658 N LEU A 50 -3.923 5.690 -0.393 1.00 0.00 N ATOM 659 CA LEU A 50 -4.454 4.628 -1.231 1.00 0.00 C ATOM 660 C LEU A 50 -5.658 5.157 -2.013 1.00 0.00 C ATOM 661 O LEU A 50 -6.639 5.606 -1.421 1.00 0.00 O ATOM 662 CB LEU A 50 -4.762 3.387 -0.392 1.00 0.00 C ATOM 663 CG LEU A 50 -5.604 2.309 -1.075 1.00 0.00 C ATOM 664 CD1 LEU A 50 -4.719 1.189 -1.626 1.00 0.00 C ATOM 665 CD2 LEU A 50 -6.682 1.773 -0.131 1.00 0.00 C ATOM 0 H LEU A 50 -4.305 5.718 0.552 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.711 4.312 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.818 2.940 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.279 3.704 0.514 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.116 2.764 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.343 0.435 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.022 1.602 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.161 0.731 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.266 1.008 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.211 1.340 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.339 2.589 0.172 1.00 0.00 H new ATOM 676 N SER A 51 -5.544 5.086 -3.331 1.00 0.00 N ATOM 677 CA SER A 51 -6.612 5.551 -4.201 1.00 0.00 C ATOM 678 C SER A 51 -7.743 4.521 -4.236 1.00 0.00 C ATOM 679 O SER A 51 -8.916 4.877 -4.127 1.00 0.00 O ATOM 680 CB SER A 51 -6.093 5.819 -5.615 1.00 0.00 C ATOM 681 OG SER A 51 -6.584 7.050 -6.139 1.00 0.00 O ATOM 0 H SER A 51 -4.729 4.714 -3.818 1.00 0.00 H new ATOM 0 HA SER A 51 -6.996 6.489 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.003 5.839 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.390 5.001 -6.271 1.00 0.00 H new ATOM 0 HG SER A 51 -6.229 7.186 -7.042 1.00 0.00 H new ATOM 686 N HIS A 52 -7.353 3.265 -4.392 1.00 0.00 N ATOM 687 CA HIS A 52 -8.319 2.181 -4.444 1.00 0.00 C ATOM 688 C HIS A 52 -7.585 0.845 -4.580 1.00 0.00 C ATOM 689 O HIS A 52 -6.378 0.816 -4.810 1.00 0.00 O ATOM 690 CB HIS A 52 -9.337 2.415 -5.562 1.00 0.00 C ATOM 691 CG HIS A 52 -8.725 2.519 -6.938 1.00 0.00 C ATOM 692 ND1 HIS A 52 -8.620 1.437 -7.796 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.187 3.585 -7.597 1.00 0.00 C ATOM 694 CE1 HIS A 52 -8.043 1.846 -8.916 1.00 0.00 C ATOM 695 NE2 HIS A 52 -7.775 3.178 -8.790 1.00 0.00 N ATOM 0 H HIS A 52 -6.380 2.973 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.887 2.150 -3.514 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.060 1.599 -5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.889 3.331 -5.351 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -8.934 0.487 -7.599 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.110 4.591 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.823 1.233 -9.778 1.00 0.00 H new ATOM 703 N PHE A 53 -8.347 -0.229 -4.431 1.00 0.00 N ATOM 704 CA PHE A 53 -7.785 -1.565 -4.533 1.00 0.00 C ATOM 705 C PHE A 53 -7.861 -2.083 -5.972 1.00 0.00 C ATOM 706 O PHE A 53 -8.589 -1.532 -6.795 1.00 0.00 O ATOM 707 CB PHE A 53 -8.623 -2.474 -3.631 1.00 0.00 C ATOM 708 CG PHE A 53 -8.153 -2.507 -2.175 1.00 0.00 C ATOM 709 CD1 PHE A 53 -8.448 -1.474 -1.342 1.00 0.00 C ATOM 710 CD2 PHE A 53 -7.443 -3.572 -1.714 1.00 0.00 C ATOM 711 CE1 PHE A 53 -8.013 -1.505 0.009 1.00 0.00 C ATOM 712 CE2 PHE A 53 -7.008 -3.602 -0.363 1.00 0.00 C ATOM 713 CZ PHE A 53 -7.303 -2.570 0.471 1.00 0.00 C ATOM 0 H PHE A 53 -9.349 -0.201 -4.240 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.737 -1.551 -4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.661 -2.141 -3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.602 -3.487 -4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.013 -0.630 -1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.211 -4.394 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.246 -0.683 0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.442 -4.446 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.974 -2.595 1.499 1.00 0.00 H new ATOM 722 N GLY A 54 -7.100 -3.136 -6.228 1.00 0.00 N ATOM 723 CA GLY A 54 -7.072 -3.734 -7.552 1.00 0.00 C ATOM 724 C GLY A 54 -6.269 -2.872 -8.527 1.00 0.00 C ATOM 725 O GLY A 54 -6.253 -1.646 -8.411 1.00 0.00 O ATOM 0 H GLY A 54 -6.498 -3.591 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.633 -4.730 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.090 -3.855 -7.922 1.00 0.00 H new ATOM 729 N LYS A 55 -5.621 -3.544 -9.467 1.00 0.00 N ATOM 730 CA LYS A 55 -4.817 -2.854 -10.462 1.00 0.00 C ATOM 731 C LYS A 55 -5.541 -1.579 -10.900 1.00 0.00 C ATOM 732 O LYS A 55 -6.763 -1.568 -11.030 1.00 0.00 O ATOM 733 CB LYS A 55 -4.473 -3.794 -11.618 1.00 0.00 C ATOM 734 CG LYS A 55 -2.961 -3.852 -11.847 1.00 0.00 C ATOM 735 CD LYS A 55 -2.476 -5.299 -11.949 1.00 0.00 C ATOM 736 CE LYS A 55 -1.561 -5.486 -13.161 1.00 0.00 C ATOM 737 NZ LYS A 55 -1.767 -6.822 -13.764 1.00 0.00 N ATOM 0 H LYS A 55 -5.636 -4.560 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.862 -2.548 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.850 -4.794 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.969 -3.455 -12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.707 -3.315 -12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.446 -3.349 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.941 -5.572 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.332 -5.969 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.764 -4.711 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.520 -5.373 -12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.139 -6.933 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.551 -7.557 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.756 -6.916 -14.070 1.00 0.00 H new ATOM 747 N CYS A 56 -4.754 -0.535 -11.117 1.00 0.00 N ATOM 748 CA CYS A 56 -5.304 0.742 -11.538 1.00 0.00 C ATOM 749 C CYS A 56 -6.305 0.485 -12.665 1.00 0.00 C ATOM 750 O CYS A 56 -5.914 0.253 -13.807 1.00 0.00 O ATOM 751 CB CYS A 56 -4.206 1.719 -11.961 1.00 0.00 C ATOM 752 SG CYS A 56 -4.010 3.175 -10.870 1.00 0.00 S ATOM 0 H CYS A 56 -3.740 -0.548 -11.009 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.816 1.215 -10.700 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.258 1.183 -12.001 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.418 2.066 -12.972 1.00 0.00 H new TER 756 CYS A 56