USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 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 Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.415 X(o=-0.41,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.2 K(o=1.2,f=-4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -124:sc= -0.268 (180deg=-1.23) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 40 GLN : amide:sc= 0.332 X(o=0.33,f=0) USER MOD Single : A 48 CYS SG : rot 56:sc= -0.0141 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 60 ASN : amide:sc= 0.202 K(o=0.2,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= 2.12 (180deg=1.78) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.213 1.796 0.172 1.00 25.00 N ATOM 60 CA TYR A 5 13.938 0.575 0.501 1.00 25.00 C ATOM 61 C TYR A 5 13.463 -0.657 -0.299 1.00 25.00 C ATOM 62 O TYR A 5 12.554 -0.572 -1.116 1.00 25.00 O ATOM 63 CB TYR A 5 13.884 0.337 2.013 1.00 25.00 C ATOM 64 CG TYR A 5 14.789 1.258 2.806 1.00 25.00 C ATOM 65 CD1 TYR A 5 16.161 1.371 2.492 1.00 25.00 C ATOM 66 CD2 TYR A 5 14.289 2.006 3.893 1.00 25.00 C ATOM 67 CE1 TYR A 5 17.016 2.207 3.249 1.00 25.00 C ATOM 68 CE2 TYR A 5 15.152 2.846 4.656 1.00 25.00 C ATOM 69 CZ TYR A 5 16.509 2.929 4.326 1.00 25.00 C ATOM 70 OH TYR A 5 17.352 3.722 5.058 1.00 25.00 O ATOM 0 HA TYR A 5 14.976 0.718 0.200 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.858 0.467 2.356 1.00 25.00 H new ATOM 0 HB3 TYR A 5 14.161 -0.697 2.220 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.564 0.811 1.661 1.00 25.00 H new ATOM 0 HD2 TYR A 5 13.242 1.942 4.150 1.00 25.00 H new ATOM 0 HE1 TYR A 5 18.062 2.285 2.991 1.00 25.00 H new ATOM 0 HE2 TYR A 5 14.760 3.416 5.485 1.00 25.00 H new ATOM 0 HH TYR A 5 16.848 4.161 5.774 1.00 25.00 H new ATOM 80 N LEU A 6 14.170 -1.769 -0.135 1.00 25.00 N ATOM 81 CA LEU A 6 13.920 -2.989 -0.912 1.00 25.00 C ATOM 82 C LEU A 6 12.676 -3.742 -0.432 1.00 25.00 C ATOM 83 O LEU A 6 11.999 -4.392 -1.217 1.00 25.00 O ATOM 84 CB LEU A 6 15.133 -3.929 -0.805 1.00 25.00 C ATOM 85 CG LEU A 6 16.512 -3.423 -1.264 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.580 -4.479 -0.930 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.534 -3.121 -2.760 1.00 25.00 C ATOM 0 H LEU A 6 14.932 -1.856 0.537 1.00 25.00 H new ATOM 0 HA LEU A 6 13.754 -2.682 -1.945 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.224 -4.231 0.238 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.905 -4.827 -1.378 1.00 25.00 H new ATOM 0 HG LEU A 6 16.725 -2.494 -0.736 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.558 -4.123 -1.254 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.596 -4.653 0.146 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.344 -5.410 -1.445 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.524 -2.766 -3.045 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.299 -4.028 -3.318 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.794 -2.353 -2.987 1.00 25.00 H new ATOM 99 N ASN A 7 12.416 -3.663 0.869 1.00 25.00 N ATOM 100 CA ASN A 7 11.255 -4.305 1.523 1.00 25.00 C ATOM 101 C ASN A 7 11.117 -5.818 1.245 1.00 25.00 C ATOM 102 O ASN A 7 10.021 -6.301 0.969 1.00 25.00 O ATOM 103 CB ASN A 7 9.937 -3.606 1.112 1.00 25.00 C ATOM 104 CG ASN A 7 9.950 -2.111 1.346 1.00 25.00 C ATOM 105 OD1 ASN A 7 9.375 -1.362 0.580 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.561 -1.675 2.420 1.00 25.00 N ATOM 0 H ASN A 7 13.008 -3.146 1.518 1.00 25.00 H new ATOM 0 HA ASN A 7 11.443 -4.192 2.591 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.746 -3.799 0.056 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.111 -4.046 1.671 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.564 -0.678 2.636 1.00 25.00 H new ATOM 0 HD22 ASN A 7 11.033 -2.333 3.040 1.00 25.00 H new ATOM 113 N VAL A 8 12.209 -6.566 1.331 1.00 25.00 N ATOM 114 CA VAL A 8 12.178 -8.010 1.054 1.00 25.00 C ATOM 115 C VAL A 8 12.266 -8.764 2.376 1.00 25.00 C ATOM 116 O VAL A 8 12.760 -8.238 3.359 1.00 25.00 O ATOM 117 CB VAL A 8 13.334 -8.449 0.062 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.913 -7.245 -0.665 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.468 -9.182 0.770 1.00 25.00 C ATOM 0 H VAL A 8 13.128 -6.206 1.589 1.00 25.00 H new ATOM 0 HA VAL A 8 11.240 -8.254 0.555 1.00 25.00 H new ATOM 0 HB VAL A 8 12.874 -9.133 -0.651 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.704 -7.573 -1.339 1.00 25.00 H new ATOM 0 HG12 VAL A 8 13.127 -6.754 -1.239 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.323 -6.544 0.062 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.232 -9.459 0.043 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.906 -8.531 1.526 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.078 -10.081 1.247 1.00 25.00 H new ATOM 129 N LEU A 9 11.805 -10.001 2.401 1.00 25.00 N ATOM 130 CA LEU A 9 11.898 -10.823 3.609 1.00 25.00 C ATOM 131 C LEU A 9 13.155 -11.690 3.559 1.00 25.00 C ATOM 132 O LEU A 9 13.513 -12.211 2.501 1.00 25.00 O ATOM 133 CB LEU A 9 10.663 -11.720 3.735 1.00 25.00 C ATOM 134 CG LEU A 9 9.312 -10.992 3.839 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.188 -12.027 3.897 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.249 -10.087 5.073 1.00 25.00 C ATOM 0 H LEU A 9 11.363 -10.463 1.606 1.00 25.00 H new ATOM 0 HA LEU A 9 11.951 -10.163 4.475 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.630 -12.384 2.871 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.783 -12.350 4.617 1.00 25.00 H new ATOM 0 HG LEU A 9 9.196 -10.358 2.960 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.227 -11.517 3.971 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.207 -12.636 2.993 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.327 -12.667 4.768 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.279 -9.590 5.111 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.384 -10.688 5.972 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.038 -9.338 5.015 1.00 25.00 H new ATOM 148 N ALA A 10 13.810 -11.872 4.699 1.00 25.00 N ATOM 149 CA ALA A 10 14.997 -12.727 4.780 1.00 25.00 C ATOM 150 C ALA A 10 14.978 -13.579 6.052 1.00 25.00 C ATOM 151 O ALA A 10 14.507 -13.125 7.087 1.00 25.00 O ATOM 152 CB ALA A 10 16.254 -11.868 4.741 1.00 25.00 C ATOM 0 H ALA A 10 13.542 -11.440 5.583 1.00 25.00 H new ATOM 0 HA ALA A 10 14.994 -13.402 3.924 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.134 -12.508 4.802 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.280 -11.303 3.809 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.249 -11.177 5.584 1.00 25.00 H new ATOM 158 N LYS A 11 15.504 -14.800 5.967 1.00 25.00 N ATOM 159 CA LYS A 11 15.581 -15.713 7.110 1.00 25.00 C ATOM 160 C LYS A 11 17.007 -15.821 7.633 1.00 25.00 C ATOM 161 O LYS A 11 17.947 -15.958 6.854 1.00 25.00 O ATOM 162 CB LYS A 11 15.122 -17.122 6.712 1.00 25.00 C ATOM 163 CG LYS A 11 15.328 -18.177 7.813 1.00 25.00 C ATOM 164 CD LYS A 11 14.434 -19.396 7.654 1.00 25.00 C ATOM 165 CE LYS A 11 13.004 -19.071 8.084 1.00 25.00 C ATOM 166 NZ LYS A 11 12.361 -20.124 8.944 1.00 25.00 N ATOM 0 H LYS A 11 15.889 -15.186 5.105 1.00 25.00 H new ATOM 0 HA LYS A 11 14.931 -15.306 7.884 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.065 -17.088 6.447 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.665 -17.432 5.819 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.370 -18.497 7.810 1.00 25.00 H new ATOM 0 HG3 LYS A 11 15.138 -17.720 8.784 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.441 -19.727 6.615 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.822 -20.220 8.253 1.00 25.00 H new ATOM 0 HE2 LYS A 11 13.007 -18.126 8.628 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.394 -18.924 7.193 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.395 -19.828 9.192 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.324 -21.023 8.423 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.918 -20.250 9.813 1.00 25.00 H new ATOM 180 N ALA A 12 17.146 -15.852 8.946 1.00 25.00 N ATOM 181 CA ALA A 12 18.428 -16.096 9.592 1.00 25.00 C ATOM 182 C ALA A 12 18.840 -17.572 9.468 1.00 25.00 C ATOM 183 O ALA A 12 18.070 -18.463 9.836 1.00 25.00 O ATOM 184 CB ALA A 12 18.304 -15.708 11.042 1.00 25.00 C ATOM 0 H ALA A 12 16.374 -15.709 9.597 1.00 25.00 H new ATOM 0 HA ALA A 12 19.200 -15.501 9.104 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.254 -15.882 11.548 1.00 25.00 H new ATOM 0 HB2 ALA A 12 18.042 -14.652 11.115 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.526 -16.308 11.514 1.00 25.00 H new ATOM 190 N LEU A 13 20.052 -17.835 8.989 1.00 25.00 N ATOM 191 CA LEU A 13 20.575 -19.209 8.917 1.00 25.00 C ATOM 192 C LEU A 13 21.260 -19.579 10.209 1.00 25.00 C ATOM 193 O LEU A 13 21.446 -20.747 10.500 1.00 25.00 O ATOM 194 CB LEU A 13 21.631 -19.355 7.821 1.00 25.00 C ATOM 195 CG LEU A 13 21.286 -19.187 6.343 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.851 -19.612 6.009 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.538 -17.768 5.915 1.00 25.00 C ATOM 0 H LEU A 13 20.694 -17.122 8.644 1.00 25.00 H new ATOM 0 HA LEU A 13 19.719 -19.852 8.712 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.419 -18.636 8.045 1.00 25.00 H new ATOM 0 HB3 LEU A 13 22.066 -20.348 7.932 1.00 25.00 H new ATOM 0 HG LEU A 13 21.939 -19.857 5.783 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.668 -19.469 4.944 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.715 -20.663 6.262 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.149 -19.006 6.583 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.289 -17.657 4.860 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.919 -17.094 6.507 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.589 -17.523 6.068 1.00 25.00 H new ATOM 209 N TYR A 14 21.655 -18.566 10.957 1.00 25.00 N ATOM 210 CA TYR A 14 22.364 -18.734 12.214 1.00 25.00 C ATOM 211 C TYR A 14 21.807 -17.640 13.086 1.00 25.00 C ATOM 212 O TYR A 14 21.223 -16.696 12.563 1.00 25.00 O ATOM 213 CB TYR A 14 23.867 -18.527 12.021 1.00 25.00 C ATOM 214 CG TYR A 14 24.462 -19.405 10.945 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.576 -18.939 9.618 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.902 -20.711 11.236 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.109 -19.766 8.598 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.451 -21.535 10.218 1.00 25.00 C ATOM 219 CZ TYR A 14 25.544 -21.055 8.912 1.00 25.00 C ATOM 220 OH TYR A 14 26.069 -21.854 7.931 1.00 25.00 O ATOM 0 H TYR A 14 21.491 -17.591 10.707 1.00 25.00 H new ATOM 0 HA TYR A 14 22.237 -19.731 12.635 1.00 25.00 H new ATOM 0 HB2 TYR A 14 24.053 -17.483 11.771 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.377 -18.725 12.964 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.252 -17.937 9.376 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.821 -21.090 12.244 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.178 -19.401 7.584 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.796 -22.531 10.455 1.00 25.00 H new ATOM 0 HH TYR A 14 26.324 -22.719 8.315 1.00 25.00 H new ATOM 230 N ASP A 15 21.977 -17.732 14.388 1.00 25.00 N ATOM 231 CA ASP A 15 21.534 -16.672 15.271 1.00 25.00 C ATOM 232 C ASP A 15 22.585 -15.569 15.278 1.00 25.00 C ATOM 233 O ASP A 15 23.699 -15.743 14.769 1.00 25.00 O ATOM 234 CB ASP A 15 21.282 -17.213 16.680 1.00 25.00 C ATOM 235 CG ASP A 15 22.526 -17.752 17.342 1.00 25.00 C ATOM 236 OD1 ASP A 15 23.134 -18.691 16.792 1.00 25.00 O ATOM 237 OD2 ASP A 15 22.785 -17.358 18.496 1.00 25.00 O ATOM 0 H ASP A 15 22.416 -18.524 14.857 1.00 25.00 H new ATOM 0 HA ASP A 15 20.590 -16.262 14.912 1.00 25.00 H new ATOM 0 HB2 ASP A 15 20.865 -16.418 17.298 1.00 25.00 H new ATOM 0 HB3 ASP A 15 20.533 -18.004 16.630 1.00 25.00 H new ATOM 242 N ASN A 16 22.218 -14.417 15.813 1.00 25.00 N ATOM 243 CA ASN A 16 23.115 -13.282 15.862 1.00 25.00 C ATOM 244 C ASN A 16 22.936 -12.557 17.171 1.00 25.00 C ATOM 245 O ASN A 16 21.813 -12.326 17.614 1.00 25.00 O ATOM 246 CB ASN A 16 22.840 -12.311 14.716 1.00 25.00 C ATOM 247 CG ASN A 16 23.987 -11.366 14.498 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.113 -11.806 14.301 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.736 -10.094 14.578 1.00 25.00 N ATOM 0 H ASN A 16 21.299 -14.246 16.221 1.00 25.00 H new ATOM 0 HA ASN A 16 24.136 -13.652 15.768 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.653 -12.873 13.801 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.936 -11.742 14.931 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.492 -9.417 14.476 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.782 -9.772 14.743 1.00 25.00 H new ATOM 256 N VAL A 17 24.047 -12.164 17.762 1.00 25.00 N ATOM 257 CA VAL A 17 24.042 -11.385 18.983 1.00 25.00 C ATOM 258 C VAL A 17 24.542 -10.031 18.548 1.00 25.00 C ATOM 259 O VAL A 17 25.576 -9.928 17.892 1.00 25.00 O ATOM 260 CB VAL A 17 24.964 -12.007 20.064 1.00 25.00 C ATOM 261 CG1 VAL A 17 24.989 -11.135 21.330 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.474 -13.427 20.415 1.00 25.00 C ATOM 0 H VAL A 17 24.980 -12.376 17.408 1.00 25.00 H new ATOM 0 HA VAL A 17 23.055 -11.342 19.444 1.00 25.00 H new ATOM 0 HB VAL A 17 25.976 -12.061 19.664 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.642 -11.592 22.074 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.362 -10.142 21.080 1.00 25.00 H new ATOM 0 HG13 VAL A 17 23.980 -11.052 21.735 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.125 -13.859 21.175 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.455 -13.376 20.797 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.496 -14.051 19.521 1.00 25.00 H new ATOM 272 N ALA A 18 23.761 -9.010 18.844 1.00 25.00 N ATOM 273 CA ALA A 18 24.093 -7.655 18.463 1.00 25.00 C ATOM 274 C ALA A 18 25.177 -7.145 19.406 1.00 25.00 C ATOM 275 O ALA A 18 24.971 -7.083 20.616 1.00 25.00 O ATOM 276 CB ALA A 18 22.856 -6.787 18.540 1.00 25.00 C ATOM 0 H ALA A 18 22.882 -9.098 19.354 1.00 25.00 H new ATOM 0 HA ALA A 18 24.462 -7.623 17.438 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.109 -5.767 18.252 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.095 -7.177 17.863 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.471 -6.792 19.560 1.00 25.00 H new ATOM 282 N GLU A 19 26.332 -6.832 18.847 1.00 25.00 N ATOM 283 CA GLU A 19 27.475 -6.366 19.632 1.00 25.00 C ATOM 284 C GLU A 19 27.631 -4.865 19.444 1.00 25.00 C ATOM 285 O GLU A 19 28.143 -4.160 20.310 1.00 25.00 O ATOM 286 CB GLU A 19 28.741 -7.101 19.185 1.00 25.00 C ATOM 287 CG GLU A 19 28.672 -8.597 19.476 1.00 25.00 C ATOM 288 CD GLU A 19 29.894 -9.358 18.982 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.086 -9.431 17.744 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.611 -9.952 19.810 1.00 25.00 O ATOM 0 H GLU A 19 26.510 -6.891 17.844 1.00 25.00 H new ATOM 0 HA GLU A 19 27.310 -6.575 20.689 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.890 -6.947 18.116 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.606 -6.673 19.693 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.567 -8.748 20.550 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.779 -9.011 19.008 1.00 25.00 H new ATOM 297 N SER A 20 27.132 -4.379 18.319 1.00 25.00 N ATOM 298 CA SER A 20 27.139 -2.952 18.021 1.00 25.00 C ATOM 299 C SER A 20 25.754 -2.393 18.301 1.00 25.00 C ATOM 300 O SER A 20 24.756 -3.103 18.178 1.00 25.00 O ATOM 301 CB SER A 20 27.513 -2.739 16.557 1.00 25.00 C ATOM 302 OG SER A 20 28.797 -3.273 16.306 1.00 25.00 O ATOM 0 H SER A 20 26.713 -4.956 17.590 1.00 25.00 H new ATOM 0 HA SER A 20 27.871 -2.438 18.644 1.00 25.00 H new ATOM 0 HB2 SER A 20 26.778 -3.219 15.911 1.00 25.00 H new ATOM 0 HB3 SER A 20 27.499 -1.675 16.320 1.00 25.00 H new ATOM 0 HG SER A 20 29.030 -3.135 15.364 1.00 25.00 H new ATOM 308 N PRO A 21 25.662 -1.101 18.652 1.00 25.00 N ATOM 309 CA PRO A 21 24.346 -0.521 18.946 1.00 25.00 C ATOM 310 C PRO A 21 23.458 -0.366 17.712 1.00 25.00 C ATOM 311 O PRO A 21 22.259 -0.139 17.830 1.00 25.00 O ATOM 312 CB PRO A 21 24.708 0.838 19.550 1.00 25.00 C ATOM 313 CG PRO A 21 26.009 1.180 18.915 1.00 25.00 C ATOM 314 CD PRO A 21 26.742 -0.109 18.825 1.00 25.00 C ATOM 0 HA PRO A 21 23.754 -1.158 19.603 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.948 1.587 19.330 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.796 0.782 20.635 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.863 1.621 17.929 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.560 1.907 19.511 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.436 -0.119 17.985 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.327 -0.303 19.724 1.00 25.00 H new ATOM 322 N ASP A 22 24.038 -0.522 16.531 1.00 25.00 N ATOM 323 CA ASP A 22 23.295 -0.434 15.278 1.00 25.00 C ATOM 324 C ASP A 22 22.833 -1.813 14.851 1.00 25.00 C ATOM 325 O ASP A 22 22.114 -1.963 13.906 1.00 25.00 O ATOM 326 CB ASP A 22 24.222 0.107 14.193 1.00 25.00 C ATOM 327 CG ASP A 22 23.490 0.949 13.150 1.00 25.00 C ATOM 328 OD1 ASP A 22 24.141 1.836 12.567 1.00 25.00 O ATOM 329 OD2 ASP A 22 22.285 0.725 12.908 1.00 25.00 O ATOM 0 H ASP A 22 25.033 -0.713 16.412 1.00 25.00 H new ATOM 0 HA ASP A 22 22.434 0.219 15.420 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.002 0.710 14.657 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.717 -0.727 13.696 1.00 25.00 H new ATOM 334 N GLU A 23 23.335 -2.840 15.503 1.00 25.00 N ATOM 335 CA GLU A 23 23.115 -4.202 15.043 1.00 25.00 C ATOM 336 C GLU A 23 21.833 -4.817 15.613 1.00 25.00 C ATOM 337 O GLU A 23 21.403 -4.490 16.722 1.00 25.00 O ATOM 338 CB GLU A 23 24.337 -5.048 15.410 1.00 25.00 C ATOM 339 CG GLU A 23 24.426 -6.364 14.660 1.00 25.00 C ATOM 340 CD GLU A 23 25.667 -7.156 15.003 1.00 25.00 C ATOM 341 OE1 GLU A 23 26.379 -6.816 15.978 1.00 25.00 O ATOM 342 OE2 GLU A 23 25.908 -8.175 14.322 1.00 25.00 O ATOM 0 H GLU A 23 23.897 -2.762 16.351 1.00 25.00 H new ATOM 0 HA GLU A 23 22.984 -4.182 13.961 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.239 -4.468 15.214 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.316 -5.253 16.480 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.545 -6.965 14.885 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.412 -6.167 13.588 1.00 25.00 H new ATOM 349 N LEU A 24 21.245 -5.733 14.857 1.00 25.00 N ATOM 350 CA LEU A 24 20.087 -6.496 15.323 1.00 25.00 C ATOM 351 C LEU A 24 20.495 -7.849 15.868 1.00 25.00 C ATOM 352 O LEU A 24 21.382 -8.518 15.337 1.00 25.00 O ATOM 353 CB LEU A 24 19.090 -6.742 14.190 1.00 25.00 C ATOM 354 CG LEU A 24 18.311 -5.520 13.701 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.367 -5.929 12.578 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.526 -4.884 14.846 1.00 25.00 C ATOM 0 H LEU A 24 21.550 -5.970 13.913 1.00 25.00 H new ATOM 0 HA LEU A 24 19.627 -5.897 16.109 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.631 -7.165 13.343 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.375 -7.495 14.520 1.00 25.00 H new ATOM 0 HG LEU A 24 19.019 -4.782 13.324 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.814 -5.056 12.232 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.943 -6.344 11.751 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.668 -6.680 12.946 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.980 -4.017 14.475 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.822 -5.610 15.252 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.216 -4.570 15.630 1.00 25.00 H new ATOM 368 N SER A 25 19.781 -8.284 16.891 1.00 25.00 N ATOM 369 CA SER A 25 19.956 -9.602 17.453 1.00 25.00 C ATOM 370 C SER A 25 18.716 -10.391 17.088 1.00 25.00 C ATOM 371 O SER A 25 17.599 -9.884 17.144 1.00 25.00 O ATOM 372 CB SER A 25 20.122 -9.523 18.970 1.00 25.00 C ATOM 373 OG SER A 25 19.103 -8.726 19.550 1.00 25.00 O ATOM 0 H SER A 25 19.062 -7.727 17.354 1.00 25.00 H new ATOM 0 HA SER A 25 20.854 -10.081 17.062 1.00 25.00 H new ATOM 0 HB2 SER A 25 20.091 -10.526 19.396 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.099 -9.104 19.212 1.00 25.00 H new ATOM 0 HG SER A 25 19.228 -8.691 20.521 1.00 25.00 H new ATOM 379 N PHE A 26 18.935 -11.624 16.683 1.00 25.00 N ATOM 380 CA PHE A 26 17.852 -12.531 16.301 1.00 25.00 C ATOM 381 C PHE A 26 18.309 -13.975 16.425 1.00 25.00 C ATOM 382 O PHE A 26 19.494 -14.240 16.603 1.00 25.00 O ATOM 383 CB PHE A 26 17.381 -12.248 14.872 1.00 25.00 C ATOM 384 CG PHE A 26 18.483 -12.189 13.853 1.00 25.00 C ATOM 385 CD1 PHE A 26 18.834 -10.957 13.284 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.144 -13.356 13.416 1.00 25.00 C ATOM 387 CE1 PHE A 26 19.799 -10.883 12.270 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.131 -13.291 12.397 1.00 25.00 C ATOM 389 CZ PHE A 26 20.441 -12.060 11.808 1.00 25.00 C ATOM 0 H PHE A 26 19.866 -12.034 16.606 1.00 25.00 H new ATOM 0 HA PHE A 26 17.013 -12.364 16.977 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.672 -13.021 14.577 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.842 -11.300 14.861 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.355 -10.053 13.631 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.897 -14.309 13.861 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.054 -9.926 11.839 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.640 -14.188 12.078 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.164 -12.007 11.007 1.00 25.00 H new ATOM 399 N ARG A 27 17.376 -14.911 16.327 1.00 25.00 N ATOM 400 CA ARG A 27 17.677 -16.326 16.456 1.00 25.00 C ATOM 401 C ARG A 27 17.656 -16.980 15.078 1.00 25.00 C ATOM 402 O ARG A 27 17.023 -16.487 14.159 1.00 25.00 O ATOM 403 CB ARG A 27 16.629 -16.950 17.392 1.00 25.00 C ATOM 404 CG ARG A 27 16.974 -18.334 17.922 1.00 25.00 C ATOM 405 CD ARG A 27 18.183 -18.298 18.870 1.00 25.00 C ATOM 406 NE ARG A 27 18.556 -19.644 19.336 1.00 25.00 N ATOM 407 CZ ARG A 27 19.764 -20.002 19.766 1.00 25.00 C ATOM 408 NH1 ARG A 27 20.773 -19.170 19.807 1.00 25.00 N ATOM 409 NH2 ARG A 27 19.963 -21.232 20.152 1.00 25.00 N ATOM 0 H ARG A 27 16.391 -14.709 16.156 1.00 25.00 H new ATOM 0 HA ARG A 27 18.670 -16.480 16.878 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.479 -16.281 18.240 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.680 -17.009 16.860 1.00 25.00 H new ATOM 0 HG2 ARG A 27 16.113 -18.747 18.447 1.00 25.00 H new ATOM 0 HG3 ARG A 27 17.187 -19.000 17.086 1.00 25.00 H new ATOM 0 HD2 ARG A 27 19.031 -17.843 18.359 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.952 -17.668 19.729 1.00 25.00 H new ATOM 0 HE ARG A 27 17.830 -20.360 19.329 1.00 25.00 H new ATOM 0 HH11 ARG A 27 20.651 -18.204 19.502 1.00 25.00 H new ATOM 0 HH12 ARG A 27 21.682 -19.487 20.144 1.00 25.00 H new ATOM 0 HH21 ARG A 27 19.198 -21.906 20.122 1.00 25.00 H new ATOM 0 HH22 ARG A 27 20.884 -21.520 20.484 1.00 25.00 H new ATOM 423 N LYS A 28 18.339 -18.105 14.937 1.00 25.00 N ATOM 424 CA LYS A 28 18.303 -18.872 13.694 1.00 25.00 C ATOM 425 C LYS A 28 16.849 -19.183 13.373 1.00 25.00 C ATOM 426 O LYS A 28 16.112 -19.668 14.225 1.00 25.00 O ATOM 427 CB LYS A 28 19.099 -20.169 13.867 1.00 25.00 C ATOM 428 CG LYS A 28 19.017 -21.110 12.680 1.00 25.00 C ATOM 429 CD LYS A 28 19.937 -22.301 12.881 1.00 25.00 C ATOM 430 CE LYS A 28 19.827 -23.292 11.733 1.00 25.00 C ATOM 431 NZ LYS A 28 20.727 -24.460 11.966 1.00 25.00 N ATOM 0 H LYS A 28 18.926 -18.510 15.666 1.00 25.00 H new ATOM 0 HA LYS A 28 18.749 -18.302 12.879 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.145 -19.919 14.047 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.738 -20.689 14.754 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.991 -21.454 12.551 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.293 -20.580 11.768 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.967 -21.955 12.967 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.689 -22.799 13.818 1.00 25.00 H new ATOM 0 HE2 LYS A 28 18.796 -23.633 11.636 1.00 25.00 H new ATOM 0 HE3 LYS A 28 20.091 -22.803 10.795 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 20.641 -25.128 11.174 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.711 -24.131 12.036 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 20.457 -24.935 12.851 1.00 25.00 H new ATOM 445 N GLY A 29 16.443 -18.893 12.147 1.00 25.00 N ATOM 446 CA GLY A 29 15.075 -19.127 11.724 1.00 25.00 C ATOM 447 C GLY A 29 14.189 -17.896 11.753 1.00 25.00 C ATOM 448 O GLY A 29 13.080 -17.956 11.216 1.00 25.00 O ATOM 0 H GLY A 29 17.045 -18.494 11.427 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.085 -19.528 10.711 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.635 -19.891 12.365 1.00 25.00 H new ATOM 452 N ASP A 30 14.661 -16.794 12.328 1.00 25.00 N ATOM 453 CA ASP A 30 13.879 -15.550 12.393 1.00 25.00 C ATOM 454 C ASP A 30 13.695 -14.965 11.016 1.00 25.00 C ATOM 455 O ASP A 30 14.478 -15.258 10.108 1.00 25.00 O ATOM 456 CB ASP A 30 14.588 -14.489 13.241 1.00 25.00 C ATOM 457 CG ASP A 30 13.970 -14.334 14.605 1.00 25.00 C ATOM 458 OD1 ASP A 30 14.704 -14.387 15.618 1.00 25.00 O ATOM 459 OD2 ASP A 30 12.738 -14.171 14.664 1.00 25.00 O ATOM 0 H ASP A 30 15.583 -16.731 12.759 1.00 25.00 H new ATOM 0 HA ASP A 30 12.918 -15.809 12.838 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.639 -14.758 13.350 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.557 -13.532 12.720 1.00 25.00 H new ATOM 464 N ILE A 31 12.696 -14.103 10.879 1.00 25.00 N ATOM 465 CA ILE A 31 12.435 -13.396 9.629 1.00 25.00 C ATOM 466 C ILE A 31 12.500 -11.904 9.890 1.00 25.00 C ATOM 467 O ILE A 31 11.806 -11.395 10.764 1.00 25.00 O ATOM 468 CB ILE A 31 11.026 -13.715 9.047 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.869 -15.223 8.777 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.788 -12.916 7.731 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.896 -15.821 7.838 1.00 25.00 C ATOM 0 H ILE A 31 12.044 -13.873 11.629 1.00 25.00 H new ATOM 0 HA ILE A 31 13.186 -13.720 8.909 1.00 25.00 H new ATOM 0 HB ILE A 31 10.283 -13.416 9.786 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.918 -15.753 9.728 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.876 -15.400 8.364 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.799 -13.150 7.337 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.853 -11.848 7.937 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.545 -13.190 6.997 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.699 -16.886 7.713 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.836 -15.325 6.869 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.894 -15.683 8.255 1.00 25.00 H new ATOM 483 N MET A 32 13.297 -11.201 9.104 1.00 25.00 N ATOM 484 CA MET A 32 13.385 -9.751 9.188 1.00 25.00 C ATOM 485 C MET A 32 13.131 -9.156 7.823 1.00 25.00 C ATOM 486 O MET A 32 13.281 -9.826 6.793 1.00 25.00 O ATOM 487 CB MET A 32 14.758 -9.317 9.702 1.00 25.00 C ATOM 488 CG MET A 32 15.925 -9.872 8.917 1.00 25.00 C ATOM 489 SD MET A 32 17.226 -10.355 10.043 1.00 25.00 S ATOM 490 CE MET A 32 16.512 -11.891 10.761 1.00 25.00 C ATOM 0 H MET A 32 13.899 -11.615 8.393 1.00 25.00 H new ATOM 0 HA MET A 32 12.633 -9.393 9.891 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.811 -8.228 9.686 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.857 -9.626 10.743 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.604 -10.730 8.326 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.295 -9.123 8.217 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.475 -11.802 11.847 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.504 -12.039 10.374 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.134 -12.744 10.488 1.00 25.00 H new ATOM 500 N THR A 33 12.743 -7.896 7.829 1.00 25.00 N ATOM 501 CA THR A 33 12.489 -7.155 6.597 1.00 25.00 C ATOM 502 C THR A 33 13.769 -6.453 6.186 1.00 25.00 C ATOM 503 O THR A 33 14.225 -5.569 6.885 1.00 25.00 O ATOM 504 CB THR A 33 11.402 -6.083 6.811 1.00 25.00 C ATOM 505 OG1 THR A 33 10.183 -6.721 7.198 1.00 25.00 O ATOM 506 CG2 THR A 33 11.151 -5.289 5.543 1.00 25.00 C ATOM 0 H THR A 33 12.594 -7.354 8.680 1.00 25.00 H new ATOM 0 HA THR A 33 12.153 -7.855 5.832 1.00 25.00 H new ATOM 0 HB THR A 33 11.748 -5.401 7.588 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.489 -6.043 7.337 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.379 -4.542 5.728 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.071 -4.792 5.237 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.822 -5.962 4.751 1.00 25.00 H new ATOM 514 N VAL A 34 14.351 -6.844 5.065 1.00 25.00 N ATOM 515 CA VAL A 34 15.567 -6.213 4.568 1.00 25.00 C ATOM 516 C VAL A 34 15.186 -4.914 3.900 1.00 25.00 C ATOM 517 O VAL A 34 14.333 -4.874 3.005 1.00 25.00 O ATOM 518 CB VAL A 34 16.310 -7.098 3.554 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.629 -6.450 3.105 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.582 -8.456 4.167 1.00 25.00 C ATOM 0 H VAL A 34 14.000 -7.600 4.477 1.00 25.00 H new ATOM 0 HA VAL A 34 16.237 -6.049 5.412 1.00 25.00 H new ATOM 0 HB VAL A 34 15.678 -7.213 2.674 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.129 -7.102 2.388 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.421 -5.488 2.637 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.274 -6.300 3.971 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.109 -9.082 3.446 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.195 -8.336 5.060 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.638 -8.929 4.436 1.00 25.00 H new ATOM 530 N LEU A 35 15.806 -3.850 4.361 1.00 25.00 N ATOM 531 CA LEU A 35 15.555 -2.524 3.853 1.00 25.00 C ATOM 532 C LEU A 35 16.598 -2.204 2.799 1.00 25.00 C ATOM 533 O LEU A 35 16.254 -1.819 1.698 1.00 25.00 O ATOM 534 CB LEU A 35 15.610 -1.530 5.005 1.00 25.00 C ATOM 535 CG LEU A 35 14.544 -1.780 6.084 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.818 -0.891 7.259 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.130 -1.527 5.554 1.00 25.00 C ATOM 0 H LEU A 35 16.503 -3.884 5.105 1.00 25.00 H new ATOM 0 HA LEU A 35 14.567 -2.463 3.397 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.597 -1.573 5.465 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.486 -0.522 4.610 1.00 25.00 H new ATOM 0 HG LEU A 35 14.598 -2.827 6.384 1.00 25.00 H new ATOM 0 HD11 LEU A 35 14.066 -1.063 8.029 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.806 -1.114 7.661 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.782 0.151 6.943 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.405 -1.715 6.346 1.00 25.00 H new ATOM 0 HD22 LEU A 35 13.045 -0.492 5.222 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.931 -2.194 4.715 1.00 25.00 H new ATOM 549 N GLU A 36 17.862 -2.440 3.095 1.00 25.00 N ATOM 550 CA GLU A 36 18.900 -2.276 2.077 1.00 25.00 C ATOM 551 C GLU A 36 20.077 -3.183 2.369 1.00 25.00 C ATOM 552 O GLU A 36 20.110 -3.846 3.399 1.00 25.00 O ATOM 553 CB GLU A 36 19.337 -0.809 1.957 1.00 25.00 C ATOM 554 CG GLU A 36 20.279 -0.300 2.965 1.00 25.00 C ATOM 555 CD GLU A 36 20.416 1.213 2.898 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.225 1.789 1.810 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.656 1.832 3.956 1.00 25.00 O ATOM 0 H GLU A 36 18.197 -2.740 4.010 1.00 25.00 H new ATOM 0 HA GLU A 36 18.481 -2.567 1.114 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.788 -0.671 0.974 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.442 -0.187 1.987 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.939 -0.590 3.959 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.256 -0.760 2.815 1.00 25.00 H new ATOM 564 N ARG A 37 21.035 -3.226 1.460 1.00 25.00 N ATOM 565 CA ARG A 37 22.239 -4.021 1.643 1.00 25.00 C ATOM 566 C ARG A 37 23.394 -3.073 1.486 1.00 25.00 C ATOM 567 O ARG A 37 23.253 -2.082 0.782 1.00 25.00 O ATOM 568 CB ARG A 37 22.369 -5.082 0.569 1.00 25.00 C ATOM 569 CG ARG A 37 21.194 -6.035 0.422 1.00 25.00 C ATOM 570 CD ARG A 37 21.525 -7.140 -0.604 1.00 25.00 C ATOM 571 NE ARG A 37 21.959 -6.581 -1.905 1.00 25.00 N ATOM 572 CZ ARG A 37 23.226 -6.370 -2.273 1.00 25.00 C ATOM 573 NH1 ARG A 37 24.243 -6.702 -1.523 1.00 25.00 N ATOM 574 NH2 ARG A 37 23.471 -5.789 -3.413 1.00 25.00 N ATOM 0 H ARG A 37 21.002 -2.714 0.578 1.00 25.00 H new ATOM 0 HA ARG A 37 22.211 -4.515 2.614 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.528 -4.584 -0.387 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.263 -5.670 0.775 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.958 -6.484 1.387 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.309 -5.485 0.102 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.311 -7.781 -0.205 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.647 -7.769 -0.755 1.00 25.00 H new ATOM 0 HE ARG A 37 21.230 -6.337 -2.576 1.00 25.00 H new ATOM 0 HH11 ARG A 37 24.086 -7.141 -0.616 1.00 25.00 H new ATOM 0 HH12 ARG A 37 25.194 -6.522 -1.845 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.699 -5.500 -4.014 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.434 -5.623 -3.704 1.00 25.00 H new ATOM 588 N ASP A 38 24.512 -3.403 2.115 1.00 25.00 N ATOM 589 CA ASP A 38 25.752 -2.627 2.032 1.00 25.00 C ATOM 590 C ASP A 38 25.445 -1.197 2.501 1.00 25.00 C ATOM 591 O ASP A 38 25.908 -0.190 1.963 1.00 25.00 O ATOM 592 CB ASP A 38 26.345 -2.735 0.618 1.00 25.00 C ATOM 593 CG ASP A 38 26.420 -4.196 0.137 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.772 -5.090 0.958 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.989 -4.479 -1.012 1.00 25.00 O ATOM 0 H ASP A 38 24.590 -4.229 2.708 1.00 25.00 H new ATOM 0 HA ASP A 38 26.530 -3.017 2.689 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.737 -2.155 -0.076 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.344 -2.298 0.609 1.00 25.00 H new ATOM 600 N THR A 39 24.581 -1.159 3.507 1.00 25.00 N ATOM 601 CA THR A 39 24.047 0.077 4.073 1.00 25.00 C ATOM 602 C THR A 39 25.141 0.893 4.728 1.00 25.00 C ATOM 603 O THR A 39 26.061 0.341 5.292 1.00 25.00 O ATOM 604 CB THR A 39 22.953 -0.252 5.119 1.00 25.00 C ATOM 605 OG1 THR A 39 22.469 0.945 5.729 1.00 25.00 O ATOM 606 CG2 THR A 39 23.441 -1.177 6.180 1.00 25.00 C ATOM 0 H THR A 39 24.224 -2.000 3.962 1.00 25.00 H new ATOM 0 HA THR A 39 23.616 0.663 3.261 1.00 25.00 H new ATOM 0 HB THR A 39 22.147 -0.751 4.581 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.792 1.355 5.152 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.636 -1.376 6.888 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.764 -2.114 5.726 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.280 -0.719 6.704 1.00 25.00 H new ATOM 614 N GLN A 40 25.037 2.213 4.625 1.00 25.00 N ATOM 615 CA GLN A 40 26.031 3.155 5.170 1.00 25.00 C ATOM 616 C GLN A 40 27.448 2.911 4.616 1.00 25.00 C ATOM 617 O GLN A 40 28.427 3.377 5.177 1.00 25.00 O ATOM 618 CB GLN A 40 26.039 3.134 6.714 1.00 25.00 C ATOM 619 CG GLN A 40 24.651 2.989 7.340 1.00 25.00 C ATOM 620 CD GLN A 40 24.611 3.379 8.803 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.570 4.552 9.140 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.572 2.400 9.667 1.00 25.00 N ATOM 0 H GLN A 40 24.256 2.673 4.158 1.00 25.00 H new ATOM 0 HA GLN A 40 25.725 4.147 4.839 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.667 2.310 7.053 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.496 4.054 7.078 1.00 25.00 H new ATOM 0 HG2 GLN A 40 23.944 3.607 6.787 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.320 1.956 7.237 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.609 1.433 9.344 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.505 2.602 10.664 1.00 25.00 H new ATOM 631 N GLY A 41 27.546 2.168 3.518 1.00 25.00 N ATOM 632 CA GLY A 41 28.841 1.841 2.941 1.00 25.00 C ATOM 633 C GLY A 41 29.496 0.675 3.657 1.00 25.00 C ATOM 634 O GLY A 41 30.675 0.394 3.460 1.00 25.00 O ATOM 0 H GLY A 41 26.747 1.784 3.014 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.718 1.597 1.886 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.493 2.713 2.993 1.00 25.00 H new ATOM 638 N LEU A 42 28.737 -0.001 4.506 1.00 25.00 N ATOM 639 CA LEU A 42 29.243 -1.116 5.278 1.00 25.00 C ATOM 640 C LEU A 42 29.038 -2.385 4.469 1.00 25.00 C ATOM 641 O LEU A 42 27.980 -3.007 4.522 1.00 25.00 O ATOM 642 CB LEU A 42 28.489 -1.196 6.603 1.00 25.00 C ATOM 643 CG LEU A 42 28.514 0.052 7.489 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.449 -0.089 8.554 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.862 0.231 8.131 1.00 25.00 C ATOM 0 H LEU A 42 27.754 0.211 4.676 1.00 25.00 H new ATOM 0 HA LEU A 42 30.304 -0.988 5.493 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.448 -1.438 6.387 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.898 -2.028 7.177 1.00 25.00 H new ATOM 0 HG LEU A 42 28.318 0.931 6.874 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.455 0.794 9.194 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.472 -0.188 8.081 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.652 -0.975 9.156 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.852 1.125 8.755 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.090 -0.639 8.747 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.622 0.337 7.357 1.00 25.00 H new ATOM 657 N ASP A 43 30.038 -2.746 3.689 1.00 25.00 N ATOM 658 CA ASP A 43 29.940 -3.916 2.815 1.00 25.00 C ATOM 659 C ASP A 43 29.586 -5.167 3.608 1.00 25.00 C ATOM 660 O ASP A 43 30.204 -5.484 4.628 1.00 25.00 O ATOM 661 CB ASP A 43 31.257 -4.165 2.077 1.00 25.00 C ATOM 662 CG ASP A 43 31.430 -3.273 0.861 1.00 25.00 C ATOM 663 OD1 ASP A 43 32.570 -2.827 0.613 1.00 25.00 O ATOM 664 OD2 ASP A 43 30.447 -3.080 0.114 1.00 25.00 O ATOM 0 H ASP A 43 30.929 -2.252 3.637 1.00 25.00 H new ATOM 0 HA ASP A 43 29.151 -3.706 2.093 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.088 -4.001 2.763 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.301 -5.209 1.765 1.00 25.00 H new ATOM 669 N GLY A 44 28.571 -5.878 3.141 1.00 25.00 N ATOM 670 CA GLY A 44 28.149 -7.105 3.793 1.00 25.00 C ATOM 671 C GLY A 44 27.140 -6.905 4.911 1.00 25.00 C ATOM 672 O GLY A 44 26.481 -7.871 5.314 1.00 25.00 O ATOM 0 H GLY A 44 28.027 -5.626 2.316 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.717 -7.770 3.045 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.027 -7.608 4.198 1.00 25.00 H new ATOM 676 N TRP A 45 26.981 -5.687 5.407 1.00 25.00 N ATOM 677 CA TRP A 45 25.987 -5.400 6.415 1.00 25.00 C ATOM 678 C TRP A 45 24.688 -5.058 5.703 1.00 25.00 C ATOM 679 O TRP A 45 24.670 -4.259 4.780 1.00 25.00 O ATOM 680 CB TRP A 45 26.469 -4.220 7.246 1.00 25.00 C ATOM 681 CG TRP A 45 27.546 -4.612 8.213 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.876 -4.357 8.126 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.380 -5.343 9.436 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.556 -4.841 9.202 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.667 -5.471 10.033 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.270 -5.897 10.094 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.859 -6.141 11.260 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.455 -6.552 11.323 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.745 -6.674 11.893 1.00 25.00 C ATOM 0 H TRP A 45 27.535 -4.880 5.121 1.00 25.00 H new ATOM 0 HA TRP A 45 25.827 -6.253 7.075 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.844 -3.440 6.583 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.628 -3.796 7.794 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.339 -3.833 7.303 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.559 -4.750 9.363 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.284 -5.820 9.660 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.844 -6.236 11.694 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.602 -6.968 11.839 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.864 -7.190 12.835 1.00 25.00 H new ATOM 700 N TRP A 46 23.598 -5.688 6.102 1.00 25.00 N ATOM 701 CA TRP A 46 22.304 -5.457 5.464 1.00 25.00 C ATOM 702 C TRP A 46 21.385 -4.806 6.481 1.00 25.00 C ATOM 703 O TRP A 46 21.211 -5.319 7.579 1.00 25.00 O ATOM 704 CB TRP A 46 21.704 -6.779 4.953 1.00 25.00 C ATOM 705 CG TRP A 46 22.530 -7.454 3.854 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.695 -7.015 3.299 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.255 -8.710 3.192 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.169 -7.874 2.361 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.317 -8.939 2.264 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.227 -9.671 3.293 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.370 -10.086 1.445 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.296 -10.836 2.493 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.356 -11.024 1.570 1.00 25.00 C ATOM 0 H TRP A 46 23.578 -6.365 6.865 1.00 25.00 H new ATOM 0 HA TRP A 46 22.426 -4.802 4.601 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.602 -7.468 5.792 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.700 -6.588 4.573 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.184 -6.092 3.573 1.00 25.00 H new ATOM 0 HE1 TRP A 46 25.022 -7.746 1.817 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.400 -9.520 3.971 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.176 -10.230 0.741 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.531 -11.592 2.587 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.374 -11.911 0.955 1.00 25.00 H new ATOM 724 N LEU A 47 20.820 -3.665 6.128 1.00 25.00 N ATOM 725 CA LEU A 47 19.908 -2.955 7.018 1.00 25.00 C ATOM 726 C LEU A 47 18.606 -3.707 7.015 1.00 25.00 C ATOM 727 O LEU A 47 18.022 -3.914 5.958 1.00 25.00 O ATOM 728 CB LEU A 47 19.666 -1.533 6.510 1.00 25.00 C ATOM 729 CG LEU A 47 18.709 -0.653 7.323 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.134 -0.527 8.774 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.621 0.726 6.683 1.00 25.00 C ATOM 0 H LEU A 47 20.975 -3.207 5.230 1.00 25.00 H new ATOM 0 HA LEU A 47 20.332 -2.894 8.021 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.629 -1.025 6.456 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.282 -1.598 5.492 1.00 25.00 H new ATOM 0 HG LEU A 47 17.730 -1.133 7.316 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.424 0.106 9.307 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.156 -1.515 9.234 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.127 -0.081 8.825 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.941 1.352 7.260 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.610 1.183 6.667 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.249 0.631 5.663 1.00 25.00 H new ATOM 743 N CYS A 48 18.143 -4.122 8.179 1.00 25.00 N ATOM 744 CA CYS A 48 16.885 -4.831 8.283 1.00 25.00 C ATOM 745 C CYS A 48 16.064 -4.295 9.436 1.00 25.00 C ATOM 746 O CYS A 48 16.547 -3.515 10.251 1.00 25.00 O ATOM 747 CB CYS A 48 17.129 -6.336 8.466 1.00 25.00 C ATOM 748 SG CYS A 48 18.333 -7.038 7.303 1.00 25.00 S ATOM 0 H CYS A 48 18.622 -3.979 9.068 1.00 25.00 H new ATOM 0 HA CYS A 48 16.330 -4.675 7.358 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.475 -6.516 9.484 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.182 -6.863 8.354 1.00 25.00 H new ATOM 0 HG CYS A 48 19.454 -6.386 7.392 1.00 25.00 H new ATOM 754 N SER A 49 14.820 -4.735 9.498 1.00 25.00 N ATOM 755 CA SER A 49 13.916 -4.377 10.572 1.00 25.00 C ATOM 756 C SER A 49 13.332 -5.667 11.138 1.00 25.00 C ATOM 757 O SER A 49 12.888 -6.551 10.392 1.00 25.00 O ATOM 758 CB SER A 49 12.837 -3.428 10.045 1.00 25.00 C ATOM 759 OG SER A 49 11.553 -4.029 10.018 1.00 25.00 O ATOM 0 H SER A 49 14.408 -5.354 8.800 1.00 25.00 H new ATOM 0 HA SER A 49 14.435 -3.848 11.371 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.804 -2.536 10.671 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.104 -3.102 9.040 1.00 25.00 H new ATOM 0 HG SER A 49 10.898 -3.385 9.676 1.00 25.00 H new ATOM 765 N LEU A 50 13.409 -5.801 12.452 1.00 25.00 N ATOM 766 CA LEU A 50 12.950 -6.993 13.158 1.00 25.00 C ATOM 767 C LEU A 50 12.306 -6.531 14.457 1.00 25.00 C ATOM 768 O LEU A 50 12.893 -5.739 15.179 1.00 25.00 O ATOM 769 CB LEU A 50 14.144 -7.901 13.466 1.00 25.00 C ATOM 770 CG LEU A 50 13.806 -9.219 14.172 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.954 -10.374 13.228 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.707 -9.400 15.383 1.00 25.00 C ATOM 0 H LEU A 50 13.794 -5.083 13.066 1.00 25.00 H new ATOM 0 HA LEU A 50 12.238 -7.553 12.552 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.654 -8.131 12.531 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.849 -7.347 14.086 1.00 25.00 H new ATOM 0 HG LEU A 50 12.769 -9.185 14.506 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.710 -11.301 13.746 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.278 -10.242 12.383 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.982 -10.420 12.867 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.463 -10.338 15.881 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.748 -9.420 15.062 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.557 -8.572 16.075 1.00 25.00 H new ATOM 784 N HIS A 51 11.074 -6.965 14.706 1.00 25.00 N ATOM 785 CA HIS A 51 10.307 -6.563 15.900 1.00 25.00 C ATOM 786 C HIS A 51 10.205 -5.037 16.068 1.00 25.00 C ATOM 787 O HIS A 51 10.137 -4.526 17.179 1.00 25.00 O ATOM 788 CB HIS A 51 10.903 -7.202 17.166 1.00 25.00 C ATOM 789 CG HIS A 51 10.712 -8.684 17.232 1.00 25.00 C ATOM 790 ND1 HIS A 51 9.507 -9.297 17.470 1.00 25.00 N ATOM 791 CD2 HIS A 51 11.603 -9.701 17.098 1.00 25.00 C ATOM 792 CE1 HIS A 51 9.701 -10.612 17.462 1.00 25.00 C ATOM 793 NE2 HIS A 51 10.962 -10.914 17.238 1.00 25.00 N ATOM 0 H HIS A 51 10.572 -7.605 14.091 1.00 25.00 H new ATOM 0 HA HIS A 51 9.291 -6.930 15.752 1.00 25.00 H new ATOM 0 HB2 HIS A 51 11.969 -6.979 17.209 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.446 -6.745 18.044 1.00 25.00 H new ATOM 0 HD2 HIS A 51 12.659 -9.577 16.909 1.00 25.00 H new ATOM 0 HE1 HIS A 51 8.921 -11.342 17.620 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.376 -11.844 17.180 1.00 25.00 H new ATOM 801 N GLY A 52 10.178 -4.310 14.957 1.00 25.00 N ATOM 802 CA GLY A 52 10.056 -2.859 15.014 1.00 25.00 C ATOM 803 C GLY A 52 11.353 -2.146 15.356 1.00 25.00 C ATOM 804 O GLY A 52 11.363 -0.935 15.553 1.00 25.00 O ATOM 0 H GLY A 52 10.238 -4.697 14.015 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.696 -2.496 14.051 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.302 -2.596 15.756 1.00 25.00 H new ATOM 808 N ARG A 53 12.455 -2.882 15.405 1.00 25.00 N ATOM 809 CA ARG A 53 13.762 -2.310 15.684 1.00 25.00 C ATOM 810 C ARG A 53 14.489 -2.404 14.369 1.00 25.00 C ATOM 811 O ARG A 53 14.390 -3.412 13.680 1.00 25.00 O ATOM 812 CB ARG A 53 14.475 -3.129 16.769 1.00 25.00 C ATOM 813 CG ARG A 53 15.405 -2.331 17.694 1.00 25.00 C ATOM 814 CD ARG A 53 16.709 -1.905 17.022 1.00 25.00 C ATOM 815 NE ARG A 53 17.795 -1.786 18.007 1.00 25.00 N ATOM 816 CZ ARG A 53 19.047 -1.428 17.737 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.462 -1.115 16.537 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.900 -1.374 18.715 1.00 25.00 N ATOM 0 H ARG A 53 12.467 -3.890 15.253 1.00 25.00 H new ATOM 0 HA ARG A 53 13.712 -1.286 16.055 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.721 -3.625 17.380 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.058 -3.912 16.284 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.880 -1.443 18.047 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.637 -2.934 18.572 1.00 25.00 H new ATOM 0 HD2 ARG A 53 16.984 -2.633 16.259 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.566 -0.950 16.515 1.00 25.00 H new ATOM 0 HE ARG A 53 17.569 -1.996 18.979 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.813 -1.138 15.751 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.435 -0.847 16.387 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.603 -1.603 19.664 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.866 -1.102 18.534 1.00 25.00 H new ATOM 832 N GLN A 54 15.194 -1.354 14.007 1.00 25.00 N ATOM 833 CA GLN A 54 15.938 -1.326 12.759 1.00 25.00 C ATOM 834 C GLN A 54 17.409 -1.438 13.083 1.00 25.00 C ATOM 835 O GLN A 54 17.843 -0.956 14.126 1.00 25.00 O ATOM 836 CB GLN A 54 15.671 -0.020 12.022 1.00 25.00 C ATOM 837 CG GLN A 54 15.008 -0.223 10.696 1.00 25.00 C ATOM 838 CD GLN A 54 14.752 1.084 9.972 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.616 1.429 9.693 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.799 1.801 9.652 1.00 25.00 N ATOM 0 H GLN A 54 15.270 -0.501 14.561 1.00 25.00 H new ATOM 0 HA GLN A 54 15.628 -2.153 12.121 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.043 0.619 12.642 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.614 0.507 11.874 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.634 -0.863 10.074 1.00 25.00 H new ATOM 0 HG3 GLN A 54 14.063 -0.746 10.842 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.734 1.479 9.903 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.680 2.682 9.152 1.00 25.00 H new ATOM 849 N GLY A 55 18.166 -2.065 12.202 1.00 25.00 N ATOM 850 CA GLY A 55 19.594 -2.173 12.409 1.00 25.00 C ATOM 851 C GLY A 55 20.305 -2.998 11.361 1.00 25.00 C ATOM 852 O GLY A 55 19.663 -3.648 10.533 1.00 25.00 O ATOM 0 H GLY A 55 17.820 -2.501 11.347 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.026 -1.172 12.424 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.777 -2.613 13.389 1.00 25.00 H new ATOM 856 N ILE A 56 21.627 -2.968 11.387 1.00 25.00 N ATOM 857 CA ILE A 56 22.440 -3.720 10.440 1.00 25.00 C ATOM 858 C ILE A 56 22.519 -5.183 10.869 1.00 25.00 C ATOM 859 O ILE A 56 22.329 -5.530 12.040 1.00 25.00 O ATOM 860 CB ILE A 56 23.869 -3.107 10.295 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.641 -3.222 11.626 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.749 -1.629 9.877 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.051 -2.659 11.592 1.00 25.00 C ATOM 0 H ILE A 56 22.167 -2.425 12.061 1.00 25.00 H new ATOM 0 HA ILE A 56 21.963 -3.662 9.462 1.00 25.00 H new ATOM 0 HB ILE A 56 24.419 -3.657 9.531 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.077 -2.706 12.403 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.691 -4.273 11.912 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.745 -1.198 9.775 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.225 -1.562 8.924 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.192 -1.080 10.636 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.516 -2.783 12.570 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.637 -3.190 10.841 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.014 -1.599 11.340 1.00 25.00 H new ATOM 875 N VAL A 57 22.748 -6.039 9.890 1.00 25.00 N ATOM 876 CA VAL A 57 22.808 -7.485 10.089 1.00 25.00 C ATOM 877 C VAL A 57 23.916 -8.045 9.212 1.00 25.00 C ATOM 878 O VAL A 57 24.048 -7.637 8.061 1.00 25.00 O ATOM 879 CB VAL A 57 21.480 -8.142 9.629 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.533 -9.647 9.697 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.311 -7.604 10.448 1.00 25.00 C ATOM 0 H VAL A 57 22.900 -5.752 8.923 1.00 25.00 H new ATOM 0 HA VAL A 57 22.984 -7.692 11.145 1.00 25.00 H new ATOM 0 HB VAL A 57 21.331 -7.877 8.582 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.580 -10.060 9.365 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.332 -10.012 9.051 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.725 -9.958 10.724 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.386 -8.074 10.114 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.472 -7.828 11.502 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.239 -6.525 10.314 1.00 25.00 H new ATOM 891 N PRO A 58 24.697 -9.012 9.711 1.00 25.00 N ATOM 892 CA PRO A 58 25.683 -9.631 8.822 1.00 25.00 C ATOM 893 C PRO A 58 24.986 -10.486 7.757 1.00 25.00 C ATOM 894 O PRO A 58 24.402 -11.534 8.056 1.00 25.00 O ATOM 895 CB PRO A 58 26.521 -10.478 9.787 1.00 25.00 C ATOM 896 CG PRO A 58 25.565 -10.838 10.887 1.00 25.00 C ATOM 897 CD PRO A 58 24.692 -9.629 11.049 1.00 25.00 C ATOM 0 HA PRO A 58 26.286 -8.918 8.260 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.916 -11.367 9.296 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.375 -9.919 10.169 1.00 25.00 H new ATOM 0 HG2 PRO A 58 24.977 -11.718 10.627 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.095 -11.070 11.811 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.684 -9.902 11.360 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.086 -8.949 11.805 1.00 25.00 H new ATOM 905 N GLY A 59 25.056 -10.052 6.504 1.00 25.00 N ATOM 906 CA GLY A 59 24.427 -10.776 5.407 1.00 25.00 C ATOM 907 C GLY A 59 24.977 -12.180 5.255 1.00 25.00 C ATOM 908 O GLY A 59 24.314 -13.069 4.744 1.00 25.00 O ATOM 0 H GLY A 59 25.543 -9.201 6.223 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.351 -10.826 5.577 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.578 -10.226 4.478 1.00 25.00 H new ATOM 912 N ASN A 60 26.171 -12.391 5.791 1.00 25.00 N ATOM 913 CA ASN A 60 26.824 -13.703 5.809 1.00 25.00 C ATOM 914 C ASN A 60 26.001 -14.758 6.577 1.00 25.00 C ATOM 915 O ASN A 60 26.179 -15.955 6.394 1.00 25.00 O ATOM 916 CB ASN A 60 28.205 -13.551 6.467 1.00 25.00 C ATOM 917 CG ASN A 60 29.229 -14.520 5.918 1.00 25.00 C ATOM 918 OD1 ASN A 60 28.950 -15.313 5.041 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.429 -14.430 6.416 1.00 25.00 N ATOM 0 H ASN A 60 26.722 -11.654 6.230 1.00 25.00 H new ATOM 0 HA ASN A 60 26.915 -14.052 4.780 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.562 -12.532 6.320 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.108 -13.703 7.542 1.00 25.00 H new ATOM 0 HD21 ASN A 60 31.172 -15.038 6.070 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.626 -13.752 7.152 1.00 25.00 H new ATOM 926 N ARG A 61 25.087 -14.303 7.429 1.00 25.00 N ATOM 927 CA ARG A 61 24.235 -15.201 8.221 1.00 25.00 C ATOM 928 C ARG A 61 22.770 -15.081 7.817 1.00 25.00 C ATOM 929 O ARG A 61 21.887 -15.602 8.512 1.00 25.00 O ATOM 930 CB ARG A 61 24.370 -14.866 9.712 1.00 25.00 C ATOM 931 CG ARG A 61 25.781 -15.021 10.248 1.00 25.00 C ATOM 932 CD ARG A 61 25.813 -14.812 11.751 1.00 25.00 C ATOM 933 NE ARG A 61 27.172 -14.990 12.282 1.00 25.00 N ATOM 934 CZ ARG A 61 27.499 -15.013 13.567 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.616 -14.893 14.525 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.751 -15.178 13.886 1.00 25.00 N ATOM 0 H ARG A 61 24.913 -13.312 7.593 1.00 25.00 H new ATOM 0 HA ARG A 61 24.565 -16.223 8.032 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.039 -13.840 9.876 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.702 -15.511 10.282 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.159 -16.014 10.006 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.440 -14.302 9.762 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.454 -13.811 11.990 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.136 -15.517 12.234 1.00 25.00 H new ATOM 0 HE ARG A 61 27.927 -15.105 11.606 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.629 -14.776 14.297 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.915 -14.917 15.500 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.454 -15.286 13.155 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.029 -15.199 14.867 1.00 25.00 H new ATOM 950 N LEU A 62 22.499 -14.396 6.715 1.00 25.00 N ATOM 951 CA LEU A 62 21.127 -14.127 6.297 1.00 25.00 C ATOM 952 C LEU A 62 20.819 -14.600 4.888 1.00 25.00 C ATOM 953 O LEU A 62 21.641 -14.506 3.988 1.00 25.00 O ATOM 954 CB LEU A 62 20.862 -12.627 6.389 1.00 25.00 C ATOM 955 CG LEU A 62 19.434 -12.220 6.744 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.007 -12.685 8.089 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.298 -10.719 6.632 1.00 25.00 C ATOM 0 H LEU A 62 23.211 -14.015 6.092 1.00 25.00 H new ATOM 0 HA LEU A 62 20.477 -14.689 6.968 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.535 -12.204 7.135 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.121 -12.173 5.432 1.00 25.00 H new ATOM 0 HG LEU A 62 18.771 -12.712 6.032 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.983 -12.362 8.278 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.058 -13.773 8.131 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.666 -12.262 8.847 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.279 -10.426 6.885 1.00 25.00 H new ATOM 0 HD22 LEU A 62 19.995 -10.238 7.319 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.522 -10.409 5.611 1.00 25.00 H new ATOM 969 N LYS A 63 19.607 -15.099 4.698 1.00 25.00 N ATOM 970 CA LYS A 63 19.167 -15.579 3.387 1.00 25.00 C ATOM 971 C LYS A 63 17.915 -14.896 2.922 1.00 25.00 C ATOM 972 O LYS A 63 16.864 -15.009 3.540 1.00 25.00 O ATOM 973 CB LYS A 63 18.919 -17.084 3.411 1.00 25.00 C ATOM 974 CG LYS A 63 18.398 -17.639 2.081 1.00 25.00 C ATOM 975 CD LYS A 63 18.436 -19.159 2.037 1.00 25.00 C ATOM 976 CE LYS A 63 17.447 -19.800 3.005 1.00 25.00 C ATOM 977 NZ LYS A 63 17.634 -21.292 3.009 1.00 25.00 N ATOM 0 H LYS A 63 18.906 -15.184 5.434 1.00 25.00 H new ATOM 0 HA LYS A 63 19.973 -15.344 2.692 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.848 -17.593 3.669 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.200 -17.313 4.198 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.375 -17.298 1.923 1.00 25.00 H new ATOM 0 HG3 LYS A 63 18.997 -17.239 1.263 1.00 25.00 H new ATOM 0 HD2 LYS A 63 18.216 -19.495 1.024 1.00 25.00 H new ATOM 0 HD3 LYS A 63 19.444 -19.500 2.274 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.597 -19.403 4.009 1.00 25.00 H new ATOM 0 HE3 LYS A 63 16.426 -19.553 2.713 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 16.958 -21.725 3.670 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 17.470 -21.665 2.052 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.604 -21.520 3.307 1.00 25.00 H new ATOM 991 N ILE A 64 18.032 -14.236 1.791 1.00 25.00 N ATOM 992 CA ILE A 64 16.919 -13.546 1.167 1.00 25.00 C ATOM 993 C ILE A 64 15.878 -14.566 0.692 1.00 25.00 C ATOM 994 O ILE A 64 16.211 -15.529 0.006 1.00 25.00 O ATOM 995 CB ILE A 64 17.452 -12.701 -0.028 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.551 -11.724 0.451 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.336 -11.929 -0.698 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.122 -10.744 1.579 1.00 25.00 C ATOM 0 H ILE A 64 18.907 -14.161 1.273 1.00 25.00 H new ATOM 0 HA ILE A 64 16.441 -12.881 1.886 1.00 25.00 H new ATOM 0 HB ILE A 64 17.877 -13.391 -0.758 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.403 -12.306 0.802 1.00 25.00 H new ATOM 0 HG13 ILE A 64 18.893 -11.141 -0.404 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.741 -11.350 -1.528 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.586 -12.625 -1.074 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.875 -11.255 0.024 1.00 25.00 H new ATOM 0 HD11 ILE A 64 18.963 -10.103 1.843 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.292 -10.129 1.231 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.810 -11.312 2.455 1.00 25.00 H new ATOM 1010 N LEU A 65 14.626 -14.358 1.080 1.00 25.00 N ATOM 1011 CA LEU A 65 13.516 -15.243 0.705 1.00 25.00 C ATOM 1012 C LEU A 65 12.626 -14.585 -0.325 1.00 25.00 C ATOM 1013 O LEU A 65 11.600 -15.131 -0.723 1.00 25.00 O ATOM 1014 CB LEU A 65 12.644 -15.545 1.924 1.00 25.00 C ATOM 1015 CG LEU A 65 13.325 -16.103 3.173 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.240 -16.318 4.220 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.074 -17.402 2.877 1.00 25.00 C ATOM 0 H LEU A 65 14.345 -13.571 1.665 1.00 25.00 H new ATOM 0 HA LEU A 65 13.954 -16.156 0.301 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.133 -14.624 2.205 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.876 -16.255 1.617 1.00 25.00 H new ATOM 0 HG LEU A 65 14.075 -15.400 3.536 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.687 -16.717 5.130 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.754 -15.368 4.441 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.501 -17.023 3.839 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.544 -17.767 3.790 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.373 -18.150 2.506 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.839 -17.217 2.123 1.00 25.00 H new ATOM 1327 N PRO A 89 29.243 -18.339 10.357 1.00 25.00 N ATOM 1328 CA PRO A 89 30.360 -17.630 9.724 1.00 25.00 C ATOM 1329 C PRO A 89 30.616 -16.252 10.356 1.00 25.00 C ATOM 1330 O PRO A 89 29.757 -15.716 11.079 1.00 25.00 O ATOM 1331 CB PRO A 89 29.899 -17.516 8.270 1.00 25.00 C ATOM 1332 CG PRO A 89 28.438 -17.430 8.363 1.00 25.00 C ATOM 1333 CD PRO A 89 28.073 -18.389 9.460 1.00 25.00 C ATOM 0 HA PRO A 89 31.312 -18.148 9.839 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.320 -16.635 7.786 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.211 -18.381 7.684 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.114 -16.416 8.598 1.00 25.00 H new ATOM 0 HG3 PRO A 89 27.964 -17.705 7.421 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.160 -18.086 9.972 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.904 -19.395 9.075 1.00 25.00 H new ATOM 1341 N PRO A 90 31.806 -15.669 10.119 1.00 25.00 N ATOM 1342 CA PRO A 90 32.119 -14.394 10.776 1.00 25.00 C ATOM 1343 C PRO A 90 31.353 -13.192 10.231 1.00 25.00 C ATOM 1344 O PRO A 90 30.831 -13.209 9.112 1.00 25.00 O ATOM 1345 CB PRO A 90 33.620 -14.240 10.512 1.00 25.00 C ATOM 1346 CG PRO A 90 33.825 -14.914 9.215 1.00 25.00 C ATOM 1347 CD PRO A 90 32.935 -16.130 9.286 1.00 25.00 C ATOM 0 HA PRO A 90 31.834 -14.415 11.828 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.912 -13.191 10.467 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.214 -14.703 11.301 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.550 -14.267 8.382 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.869 -15.192 9.071 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.604 -16.446 8.297 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.448 -16.980 9.737 1.00 25.00 H new ATOM 1355 N LYS A 91 31.304 -12.140 11.037 1.00 25.00 N ATOM 1356 CA LYS A 91 30.674 -10.883 10.648 1.00 25.00 C ATOM 1357 C LYS A 91 31.678 -10.083 9.817 1.00 25.00 C ATOM 1358 O LYS A 91 32.880 -10.154 10.082 1.00 25.00 O ATOM 1359 CB LYS A 91 30.334 -10.054 11.896 1.00 25.00 C ATOM 1360 CG LYS A 91 29.358 -10.712 12.863 1.00 25.00 C ATOM 1361 CD LYS A 91 29.117 -9.791 14.057 1.00 25.00 C ATOM 1362 CE LYS A 91 28.109 -10.374 15.031 1.00 25.00 C ATOM 1363 NZ LYS A 91 27.822 -9.387 16.116 1.00 25.00 N ATOM 0 H LYS A 91 31.699 -12.133 11.977 1.00 25.00 H new ATOM 0 HA LYS A 91 29.764 -11.094 10.086 1.00 25.00 H new ATOM 0 HB2 LYS A 91 31.258 -9.835 12.430 1.00 25.00 H new ATOM 0 HB3 LYS A 91 29.916 -9.099 11.576 1.00 25.00 H new ATOM 0 HG2 LYS A 91 28.416 -10.922 12.357 1.00 25.00 H new ATOM 0 HG3 LYS A 91 29.757 -11.668 13.203 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.060 -9.614 14.574 1.00 25.00 H new ATOM 0 HD3 LYS A 91 28.761 -8.824 13.703 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.188 -10.629 14.506 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.497 -11.298 15.461 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 26.954 -9.664 16.617 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.617 -9.367 16.786 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.696 -8.442 15.701 1.00 25.00 H new ATOM 1377 N PRO A 92 31.205 -9.276 8.851 1.00 25.00 N ATOM 1378 CA PRO A 92 32.151 -8.341 8.228 1.00 25.00 C ATOM 1379 C PRO A 92 32.566 -7.262 9.252 1.00 25.00 C ATOM 1380 O PRO A 92 31.900 -7.091 10.276 1.00 25.00 O ATOM 1381 CB PRO A 92 31.350 -7.773 7.050 1.00 25.00 C ATOM 1382 CG PRO A 92 29.941 -7.892 7.452 1.00 25.00 C ATOM 1383 CD PRO A 92 29.832 -9.091 8.342 1.00 25.00 C ATOM 0 HA PRO A 92 33.086 -8.792 7.896 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.618 -6.735 6.855 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.547 -8.330 6.134 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.614 -6.994 7.975 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.300 -8.003 6.578 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.123 -8.924 9.153 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.487 -9.967 7.793 1.00 25.00 H new