USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 TYR OH : rot -149:sc= -0.583 USER MOD Set 1.2: A 11 TYR OH : rot 3:sc= -1 USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= -0.0736 (180deg=-0.758) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.979 (180deg=-1.52) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -1.34 (180deg=-2.11!) USER MOD Single : A 10 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.8!) USER MOD Single : A 14 SER OG : rot -49:sc= 0.0712 USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= -3.22 (180deg=-3.56!) USER MOD Single : A 17 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 21 GLN : amide:sc= -3.79! C(o=-3.8!,f=-9.3!) USER MOD Single : A 23 ASN : amide:sc= -3.07! C(o=-3.1!,f=-9.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= 0.933 (180deg=0.0561) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.97! K(o=-2!,f=-1) USER MOD Single : A 34 SER OG : rot -25:sc= 0.532 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.822 K(o=-0.82,f=-4.2!) USER MOD Single : A 46 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= -2.68 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 89.636 -9.938 -50.948 1.00 0.00 N ATOM 2 CA ASP A 2 90.303 -10.509 -52.113 1.00 0.00 C ATOM 3 C ASP A 2 89.902 -11.968 -52.299 1.00 0.00 C ATOM 4 O ASP A 2 89.012 -12.470 -51.613 1.00 0.00 O ATOM 5 CB ASP A 2 91.820 -10.411 -51.946 1.00 0.00 C ATOM 6 CG ASP A 2 92.252 -8.948 -51.943 1.00 0.00 C ATOM 7 OD1 ASP A 2 91.450 -8.114 -52.328 1.00 0.00 O ATOM 8 OD2 ASP A 2 93.379 -8.685 -51.556 1.00 0.00 O ATOM 0 HA ASP A 2 89.998 -9.946 -52.995 1.00 0.00 H new ATOM 0 HB2 ASP A 2 92.123 -10.890 -51.015 1.00 0.00 H new ATOM 0 HB3 ASP A 2 92.318 -10.944 -52.756 1.00 0.00 H new ATOM 13 N LYS A 3 90.566 -12.645 -53.231 1.00 0.00 N ATOM 14 CA LYS A 3 90.270 -14.048 -53.498 1.00 0.00 C ATOM 15 C LYS A 3 90.452 -14.886 -52.237 1.00 0.00 C ATOM 16 O LYS A 3 89.714 -15.842 -52.004 1.00 0.00 O ATOM 17 CB LYS A 3 91.192 -14.572 -54.601 1.00 0.00 C ATOM 18 CG LYS A 3 90.762 -15.986 -54.998 1.00 0.00 C ATOM 19 CD LYS A 3 91.715 -16.528 -56.065 1.00 0.00 C ATOM 20 CE LYS A 3 91.211 -17.884 -56.559 1.00 0.00 C ATOM 21 NZ LYS A 3 90.939 -18.769 -55.390 1.00 0.00 N ATOM 0 H LYS A 3 91.307 -12.249 -53.810 1.00 0.00 H new ATOM 0 HA LYS A 3 89.232 -14.126 -53.822 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.152 -13.912 -55.467 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.225 -14.579 -54.253 1.00 0.00 H new ATOM 0 HG2 LYS A 3 90.768 -16.638 -54.125 1.00 0.00 H new ATOM 0 HG3 LYS A 3 89.741 -15.974 -55.379 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.781 -15.828 -56.898 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.719 -16.630 -55.653 1.00 0.00 H new ATOM 0 HE2 LYS A 3 90.304 -17.754 -57.149 1.00 0.00 H new ATOM 0 HE3 LYS A 3 91.953 -18.344 -57.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 90.945 -19.762 -55.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 91.673 -18.626 -54.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 90.008 -18.537 -54.988 1.00 0.00 H new ATOM 35 N CYS A 4 91.442 -14.522 -51.427 1.00 0.00 N ATOM 36 CA CYS A 4 91.712 -15.248 -50.192 1.00 0.00 C ATOM 37 C CYS A 4 90.546 -15.134 -49.223 1.00 0.00 C ATOM 38 O CYS A 4 90.370 -15.977 -48.343 1.00 0.00 O ATOM 39 CB CYS A 4 92.946 -14.665 -49.503 1.00 0.00 C ATOM 40 SG CYS A 4 94.349 -14.698 -50.647 1.00 0.00 S ATOM 0 H CYS A 4 92.066 -13.734 -51.602 1.00 0.00 H new ATOM 0 HA CYS A 4 91.871 -16.294 -50.456 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.748 -13.642 -49.183 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.180 -15.239 -48.607 1.00 0.00 H new ATOM 45 N LYS A 5 89.764 -14.069 -49.373 1.00 0.00 N ATOM 46 CA LYS A 5 88.629 -13.838 -48.487 1.00 0.00 C ATOM 47 C LYS A 5 87.404 -14.606 -48.973 1.00 0.00 C ATOM 48 O LYS A 5 86.883 -14.343 -50.056 1.00 0.00 O ATOM 49 CB LYS A 5 88.307 -12.343 -48.432 1.00 0.00 C ATOM 50 CG LYS A 5 89.609 -11.540 -48.453 1.00 0.00 C ATOM 51 CD LYS A 5 90.492 -11.966 -47.279 1.00 0.00 C ATOM 52 CE LYS A 5 91.698 -11.029 -47.180 1.00 0.00 C ATOM 53 NZ LYS A 5 92.093 -10.583 -48.546 1.00 0.00 N ATOM 0 H LYS A 5 89.894 -13.358 -50.093 1.00 0.00 H new ATOM 0 HA LYS A 5 88.892 -14.191 -47.490 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.681 -12.063 -49.279 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.741 -12.115 -47.529 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.134 -11.703 -49.394 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.392 -10.474 -48.390 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.920 -11.939 -46.352 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.827 -12.994 -47.417 1.00 0.00 H new ATOM 0 HE2 LYS A 5 91.452 -10.166 -46.561 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.531 -11.540 -46.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 93.037 -10.148 -48.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 92.114 -11.402 -49.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.404 -9.887 -48.897 1.00 0.00 H new ATOM 67 N LYS A 6 86.951 -15.559 -48.164 1.00 0.00 N ATOM 68 CA LYS A 6 85.781 -16.354 -48.517 1.00 0.00 C ATOM 69 C LYS A 6 84.725 -16.271 -47.419 1.00 0.00 C ATOM 70 O LYS A 6 85.047 -16.298 -46.232 1.00 0.00 O ATOM 71 CB LYS A 6 86.188 -17.815 -48.728 1.00 0.00 C ATOM 72 CG LYS A 6 87.174 -17.907 -49.893 1.00 0.00 C ATOM 73 CD LYS A 6 87.546 -19.373 -50.133 1.00 0.00 C ATOM 74 CE LYS A 6 86.633 -19.962 -51.209 1.00 0.00 C ATOM 75 NZ LYS A 6 85.217 -19.902 -50.747 1.00 0.00 N ATOM 0 H LYS A 6 87.373 -15.798 -47.267 1.00 0.00 H new ATOM 0 HA LYS A 6 85.359 -15.957 -49.440 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.643 -18.211 -47.820 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.307 -18.423 -48.934 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.731 -17.481 -50.793 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.069 -17.325 -49.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 88.588 -19.448 -50.444 1.00 0.00 H new ATOM 0 HD3 LYS A 6 87.448 -19.940 -49.207 1.00 0.00 H new ATOM 0 HE2 LYS A 6 86.747 -19.408 -52.141 1.00 0.00 H new ATOM 0 HE3 LYS A 6 86.916 -20.994 -51.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 84.646 -20.581 -51.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 85.171 -20.141 -49.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 84.845 -18.942 -50.893 1.00 0.00 H new ATOM 89 N VAL A 7 83.463 -16.169 -47.824 1.00 0.00 N ATOM 90 CA VAL A 7 82.370 -16.061 -46.864 1.00 0.00 C ATOM 91 C VAL A 7 81.491 -17.307 -46.908 1.00 0.00 C ATOM 92 O VAL A 7 81.043 -17.724 -47.976 1.00 0.00 O ATOM 93 CB VAL A 7 81.523 -14.825 -47.174 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.852 -14.993 -48.538 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.448 -14.663 -46.095 1.00 0.00 C ATOM 0 H VAL A 7 83.173 -16.159 -48.802 1.00 0.00 H new ATOM 0 HA VAL A 7 82.797 -15.968 -45.865 1.00 0.00 H new ATOM 0 HB VAL A 7 82.162 -13.942 -47.191 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.249 -14.112 -48.758 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.615 -15.111 -49.307 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.213 -15.876 -48.523 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.843 -13.783 -46.313 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.811 -15.547 -46.081 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.924 -14.543 -45.122 1.00 0.00 H new ATOM 105 N TYR A 8 81.247 -17.893 -45.741 1.00 0.00 N ATOM 106 CA TYR A 8 80.369 -19.055 -45.650 1.00 0.00 C ATOM 107 C TYR A 8 79.473 -18.951 -44.420 1.00 0.00 C ATOM 108 O TYR A 8 79.952 -18.992 -43.286 1.00 0.00 O ATOM 109 CB TYR A 8 81.203 -20.335 -45.573 1.00 0.00 C ATOM 110 CG TYR A 8 81.676 -20.548 -44.155 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.888 -19.989 -43.731 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.903 -21.302 -43.264 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.326 -20.186 -42.416 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.342 -21.499 -41.950 1.00 0.00 C ATOM 115 CZ TYR A 8 82.555 -20.942 -41.525 1.00 0.00 C ATOM 116 OH TYR A 8 82.987 -21.136 -40.229 1.00 0.00 O ATOM 0 H TYR A 8 81.641 -17.586 -44.851 1.00 0.00 H new ATOM 0 HA TYR A 8 79.742 -19.086 -46.541 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.609 -21.188 -45.901 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.058 -20.265 -46.245 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.484 -19.407 -44.418 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.968 -21.732 -43.591 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.260 -19.754 -42.088 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.745 -22.081 -41.263 1.00 0.00 H new ATOM 0 HH TYR A 8 82.671 -22.006 -39.906 1.00 0.00 H new ATOM 126 N GLU A 9 78.172 -18.817 -44.652 1.00 0.00 N ATOM 127 CA GLU A 9 77.225 -18.623 -43.562 1.00 0.00 C ATOM 128 C GLU A 9 77.128 -19.879 -42.702 1.00 0.00 C ATOM 129 O GLU A 9 77.810 -20.001 -41.683 1.00 0.00 O ATOM 130 CB GLU A 9 75.844 -18.279 -44.123 1.00 0.00 C ATOM 131 CG GLU A 9 75.957 -17.067 -45.049 1.00 0.00 C ATOM 132 CD GLU A 9 74.572 -16.643 -45.524 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.627 -17.365 -45.252 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.476 -15.601 -46.153 1.00 0.00 O ATOM 0 H GLU A 9 77.751 -18.839 -45.581 1.00 0.00 H new ATOM 0 HA GLU A 9 77.581 -17.800 -42.942 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.439 -19.131 -44.669 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.152 -18.065 -43.309 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.439 -16.242 -44.525 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.585 -17.311 -45.906 1.00 0.00 H new ATOM 141 N ASN A 10 76.275 -20.810 -43.115 1.00 0.00 N ATOM 142 CA ASN A 10 76.022 -22.007 -42.322 1.00 0.00 C ATOM 143 C ASN A 10 75.447 -21.630 -40.961 1.00 0.00 C ATOM 144 O ASN A 10 74.353 -22.061 -40.596 1.00 0.00 O ATOM 145 CB ASN A 10 77.322 -22.792 -42.129 1.00 0.00 C ATOM 146 CG ASN A 10 77.793 -23.355 -43.465 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.053 -23.324 -44.448 1.00 0.00 O ATOM 148 ND2 ASN A 10 78.987 -23.871 -43.560 1.00 0.00 N ATOM 0 H ASN A 10 75.750 -20.760 -43.988 1.00 0.00 H new ATOM 0 HA ASN A 10 75.300 -22.628 -42.853 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.089 -22.143 -41.707 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.165 -23.603 -41.418 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.309 -24.250 -44.450 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.598 -23.896 -42.744 1.00 0.00 H new ATOM 155 N TYR A 11 76.193 -20.820 -40.217 1.00 0.00 N ATOM 156 CA TYR A 11 75.700 -20.286 -38.953 1.00 0.00 C ATOM 157 C TYR A 11 75.704 -18.762 -38.983 1.00 0.00 C ATOM 158 O TYR A 11 76.756 -18.130 -38.893 1.00 0.00 O ATOM 159 CB TYR A 11 76.575 -20.781 -37.799 1.00 0.00 C ATOM 160 CG TYR A 11 77.979 -20.254 -37.969 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.331 -19.010 -37.430 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.931 -21.010 -38.665 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.634 -18.523 -37.586 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.234 -20.521 -38.822 1.00 0.00 C ATOM 165 CZ TYR A 11 80.585 -19.278 -38.283 1.00 0.00 C ATOM 166 OH TYR A 11 81.868 -18.797 -38.437 1.00 0.00 O ATOM 0 H TYR A 11 77.136 -20.520 -40.466 1.00 0.00 H new ATOM 0 HA TYR A 11 74.678 -20.633 -38.804 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.163 -20.447 -36.847 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.584 -21.871 -37.777 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.597 -18.427 -36.894 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.660 -21.969 -39.080 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.906 -17.565 -37.169 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.968 -21.103 -39.359 1.00 0.00 H new ATOM 0 HH TYR A 11 81.957 -17.944 -37.962 1.00 0.00 H new ATOM 176 N PRO A 12 74.548 -18.169 -39.110 1.00 0.00 N ATOM 177 CA PRO A 12 74.401 -16.694 -39.229 1.00 0.00 C ATOM 178 C PRO A 12 75.196 -15.943 -38.164 1.00 0.00 C ATOM 179 O PRO A 12 75.906 -16.549 -37.362 1.00 0.00 O ATOM 180 CB PRO A 12 72.864 -16.441 -39.079 1.00 0.00 C ATOM 181 CG PRO A 12 72.249 -17.737 -39.504 1.00 0.00 C ATOM 182 CD PRO A 12 73.244 -18.849 -39.154 1.00 0.00 C ATOM 0 HA PRO A 12 74.794 -16.327 -40.177 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.598 -16.189 -38.053 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.531 -15.615 -39.707 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.299 -17.897 -38.994 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.040 -17.731 -40.574 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.004 -19.311 -38.196 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.234 -19.642 -39.902 1.00 0.00 H new ATOM 190 N VAL A 13 75.070 -14.619 -38.165 1.00 0.00 N ATOM 191 CA VAL A 13 75.810 -13.789 -37.224 1.00 0.00 C ATOM 192 C VAL A 13 75.652 -14.318 -35.802 1.00 0.00 C ATOM 193 O VAL A 13 76.337 -13.872 -34.882 1.00 0.00 O ATOM 194 CB VAL A 13 75.305 -12.347 -37.293 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.782 -12.346 -37.421 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.710 -11.603 -36.018 1.00 0.00 C ATOM 0 H VAL A 13 74.466 -14.102 -38.804 1.00 0.00 H new ATOM 0 HA VAL A 13 76.866 -13.818 -37.494 1.00 0.00 H new ATOM 0 HB VAL A 13 75.743 -11.850 -38.159 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.422 -11.318 -37.470 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.493 -12.876 -38.329 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.344 -12.843 -36.556 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.350 -10.575 -36.067 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.272 -12.100 -35.152 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.796 -11.603 -35.926 1.00 0.00 H new ATOM 206 N SER A 14 74.743 -15.273 -35.631 1.00 0.00 N ATOM 207 CA SER A 14 74.472 -15.827 -34.309 1.00 0.00 C ATOM 208 C SER A 14 75.771 -16.032 -33.537 1.00 0.00 C ATOM 209 O SER A 14 75.899 -15.597 -32.394 1.00 0.00 O ATOM 210 CB SER A 14 73.739 -17.162 -34.443 1.00 0.00 C ATOM 211 OG SER A 14 74.561 -18.079 -35.154 1.00 0.00 O ATOM 0 H SER A 14 74.186 -15.676 -36.384 1.00 0.00 H new ATOM 0 HA SER A 14 73.846 -15.122 -33.762 1.00 0.00 H new ATOM 0 HB2 SER A 14 73.500 -17.559 -33.457 1.00 0.00 H new ATOM 0 HB3 SER A 14 72.794 -17.020 -34.968 1.00 0.00 H new ATOM 0 HG SER A 14 74.902 -17.650 -35.967 1.00 0.00 H new ATOM 217 N LYS A 15 76.732 -16.695 -34.173 1.00 0.00 N ATOM 218 CA LYS A 15 78.011 -16.967 -33.528 1.00 0.00 C ATOM 219 C LYS A 15 78.939 -15.765 -33.655 1.00 0.00 C ATOM 220 O LYS A 15 79.667 -15.429 -32.721 1.00 0.00 O ATOM 221 CB LYS A 15 78.669 -18.191 -34.168 1.00 0.00 C ATOM 222 CG LYS A 15 77.749 -19.404 -34.019 1.00 0.00 C ATOM 223 CD LYS A 15 78.514 -20.675 -34.395 1.00 0.00 C ATOM 224 CE LYS A 15 77.652 -21.900 -34.089 1.00 0.00 C ATOM 225 NZ LYS A 15 76.535 -21.981 -35.072 1.00 0.00 N ATOM 0 H LYS A 15 76.651 -17.051 -35.125 1.00 0.00 H new ATOM 0 HA LYS A 15 77.830 -17.163 -32.471 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.868 -18.000 -35.223 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.630 -18.390 -33.693 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.387 -19.475 -32.993 1.00 0.00 H new ATOM 0 HG3 LYS A 15 76.874 -19.291 -34.659 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.774 -20.656 -35.453 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.449 -20.727 -33.838 1.00 0.00 H new ATOM 0 HE2 LYS A 15 78.258 -22.805 -34.136 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.255 -21.834 -33.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 75.815 -22.646 -34.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 76.109 -21.040 -35.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.901 -22.314 -35.987 1.00 0.00 H new ATOM 239 N CYS A 16 78.907 -15.120 -34.816 1.00 0.00 N ATOM 240 CA CYS A 16 79.788 -13.986 -35.074 1.00 0.00 C ATOM 241 C CYS A 16 79.690 -12.964 -33.947 1.00 0.00 C ATOM 242 O CYS A 16 80.422 -11.974 -33.929 1.00 0.00 O ATOM 243 CB CYS A 16 79.410 -13.324 -36.400 1.00 0.00 C ATOM 244 SG CYS A 16 80.461 -11.874 -36.671 1.00 0.00 S ATOM 0 H CYS A 16 78.286 -15.360 -35.588 1.00 0.00 H new ATOM 0 HA CYS A 16 80.814 -14.351 -35.129 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.530 -14.032 -37.220 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.361 -13.029 -36.385 1.00 0.00 H new ATOM 249 N GLN A 17 78.782 -13.209 -33.007 1.00 0.00 N ATOM 250 CA GLN A 17 78.612 -12.311 -31.871 1.00 0.00 C ATOM 251 C GLN A 17 79.932 -12.134 -31.128 1.00 0.00 C ATOM 252 O GLN A 17 80.136 -11.140 -30.433 1.00 0.00 O ATOM 253 CB GLN A 17 77.557 -12.872 -30.916 1.00 0.00 C ATOM 254 CG GLN A 17 76.197 -12.897 -31.615 1.00 0.00 C ATOM 255 CD GLN A 17 75.658 -11.477 -31.758 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.936 -10.619 -30.921 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.901 -11.178 -32.777 1.00 0.00 N ATOM 0 H GLN A 17 78.157 -14.015 -33.009 1.00 0.00 H new ATOM 0 HA GLN A 17 78.284 -11.340 -32.243 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.834 -13.878 -30.601 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.504 -12.260 -30.016 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.292 -13.359 -32.597 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.496 -13.505 -31.043 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.672 -11.891 -33.469 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.538 -10.231 -32.882 1.00 0.00 H new ATOM 266 N LEU A 18 80.826 -13.107 -31.281 1.00 0.00 N ATOM 267 CA LEU A 18 82.142 -13.028 -30.658 1.00 0.00 C ATOM 268 C LEU A 18 83.239 -13.175 -31.707 1.00 0.00 C ATOM 269 O LEU A 18 83.371 -14.224 -32.338 1.00 0.00 O ATOM 270 CB LEU A 18 82.289 -14.129 -29.606 1.00 0.00 C ATOM 271 CG LEU A 18 81.181 -13.991 -28.562 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.861 -15.365 -27.972 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.649 -13.054 -27.446 1.00 0.00 C ATOM 0 H LEU A 18 80.664 -13.953 -31.827 1.00 0.00 H new ATOM 0 HA LEU A 18 82.239 -12.054 -30.179 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.236 -15.109 -30.080 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.265 -14.060 -29.126 1.00 0.00 H new ATOM 0 HG LEU A 18 80.287 -13.581 -29.032 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.071 -15.266 -27.228 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.530 -16.034 -28.766 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.754 -15.776 -27.501 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.860 -12.954 -26.700 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.543 -13.465 -26.976 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.878 -12.074 -27.866 1.00 0.00 H new ATOM 285 N ALA A 19 84.024 -12.119 -31.888 1.00 0.00 N ATOM 286 CA ALA A 19 85.085 -12.132 -32.889 1.00 0.00 C ATOM 287 C ALA A 19 85.969 -13.363 -32.715 1.00 0.00 C ATOM 288 O ALA A 19 86.763 -13.698 -33.594 1.00 0.00 O ATOM 289 CB ALA A 19 85.936 -10.867 -32.766 1.00 0.00 C ATOM 0 H ALA A 19 83.947 -11.250 -31.360 1.00 0.00 H new ATOM 0 HA ALA A 19 84.627 -12.165 -33.877 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.726 -10.885 -33.517 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.308 -9.990 -32.921 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.382 -10.823 -31.772 1.00 0.00 H new ATOM 295 N ASN A 20 85.825 -14.031 -31.576 1.00 0.00 N ATOM 296 CA ASN A 20 86.627 -15.216 -31.289 1.00 0.00 C ATOM 297 C ASN A 20 85.953 -16.466 -31.845 1.00 0.00 C ATOM 298 O ASN A 20 86.587 -17.513 -31.987 1.00 0.00 O ATOM 299 CB ASN A 20 86.817 -15.364 -29.778 1.00 0.00 C ATOM 300 CG ASN A 20 87.332 -14.056 -29.186 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.188 -13.399 -29.779 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.858 -13.638 -28.045 1.00 0.00 N ATOM 0 H ASN A 20 85.166 -13.775 -30.841 1.00 0.00 H new ATOM 0 HA ASN A 20 87.600 -15.099 -31.767 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.872 -15.637 -29.309 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.521 -16.169 -29.569 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.196 -12.764 -27.641 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.149 -14.185 -27.556 1.00 0.00 H new ATOM 309 N GLN A 21 84.667 -16.351 -32.156 1.00 0.00 N ATOM 310 CA GLN A 21 83.908 -17.490 -32.660 1.00 0.00 C ATOM 311 C GLN A 21 84.212 -17.725 -34.136 1.00 0.00 C ATOM 312 O GLN A 21 84.529 -18.842 -34.544 1.00 0.00 O ATOM 313 CB GLN A 21 82.408 -17.243 -32.478 1.00 0.00 C ATOM 314 CG GLN A 21 81.731 -18.536 -32.018 1.00 0.00 C ATOM 315 CD GLN A 21 81.852 -19.602 -33.101 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.833 -19.285 -34.291 1.00 0.00 O ATOM 317 NE2 GLN A 21 81.978 -20.855 -32.759 1.00 0.00 N ATOM 0 H GLN A 21 84.131 -15.488 -32.069 1.00 0.00 H new ATOM 0 HA GLN A 21 84.200 -18.375 -32.095 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.245 -16.453 -31.744 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.968 -16.903 -33.416 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.192 -18.889 -31.096 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.680 -18.348 -31.798 1.00 0.00 H new ATOM 0 HE21 GLN A 21 81.994 -21.115 -31.773 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.061 -21.574 -33.478 1.00 0.00 H new ATOM 326 N CYS A 22 84.111 -16.665 -34.931 1.00 0.00 N ATOM 327 CA CYS A 22 84.360 -16.772 -36.364 1.00 0.00 C ATOM 328 C CYS A 22 85.672 -17.504 -36.627 1.00 0.00 C ATOM 329 O CYS A 22 85.692 -18.552 -37.272 1.00 0.00 O ATOM 330 CB CYS A 22 84.418 -15.376 -36.990 1.00 0.00 C ATOM 331 SG CYS A 22 82.740 -14.715 -37.147 1.00 0.00 S ATOM 0 H CYS A 22 83.861 -15.729 -34.611 1.00 0.00 H new ATOM 0 HA CYS A 22 83.545 -17.338 -36.814 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.025 -14.714 -36.373 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.894 -15.424 -37.969 1.00 0.00 H new ATOM 336 N ASN A 23 86.767 -16.944 -36.123 1.00 0.00 N ATOM 337 CA ASN A 23 88.080 -17.554 -36.307 1.00 0.00 C ATOM 338 C ASN A 23 88.018 -19.053 -36.030 1.00 0.00 C ATOM 339 O ASN A 23 88.486 -19.861 -36.830 1.00 0.00 O ATOM 340 CB ASN A 23 89.094 -16.900 -35.368 1.00 0.00 C ATOM 341 CG ASN A 23 88.712 -15.445 -35.118 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.955 -14.860 -35.892 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.195 -14.823 -34.078 1.00 0.00 N ATOM 0 H ASN A 23 86.773 -16.076 -35.588 1.00 0.00 H new ATOM 0 HA ASN A 23 88.391 -17.401 -37.340 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.129 -17.443 -34.423 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.092 -16.953 -35.804 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.945 -13.849 -33.905 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.822 -15.310 -33.438 1.00 0.00 H new ATOM 350 N TYR A 24 87.439 -19.415 -34.889 1.00 0.00 N ATOM 351 CA TYR A 24 87.308 -20.820 -34.523 1.00 0.00 C ATOM 352 C TYR A 24 86.615 -21.602 -35.636 1.00 0.00 C ATOM 353 O TYR A 24 87.169 -22.562 -36.170 1.00 0.00 O ATOM 354 CB TYR A 24 86.503 -20.949 -33.229 1.00 0.00 C ATOM 355 CG TYR A 24 87.445 -20.947 -32.049 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.297 -19.856 -31.834 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.468 -22.036 -31.169 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.170 -19.854 -30.741 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.342 -22.034 -30.075 1.00 0.00 C ATOM 360 CZ TYR A 24 89.193 -20.943 -29.861 1.00 0.00 C ATOM 361 OH TYR A 24 90.054 -20.941 -28.783 1.00 0.00 O ATOM 0 H TYR A 24 87.056 -18.760 -34.207 1.00 0.00 H new ATOM 0 HA TYR A 24 88.306 -21.232 -34.373 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.795 -20.124 -33.145 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.920 -21.870 -33.241 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.280 -19.016 -32.513 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.812 -22.878 -31.334 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.826 -19.012 -30.576 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.360 -22.874 -29.396 1.00 0.00 H new ATOM 0 HH TYR A 24 89.942 -21.770 -28.273 1.00 0.00 H new ATOM 371 N ASP A 25 85.400 -21.185 -35.979 1.00 0.00 N ATOM 372 CA ASP A 25 84.644 -21.850 -37.034 1.00 0.00 C ATOM 373 C ASP A 25 85.360 -21.717 -38.375 1.00 0.00 C ATOM 374 O ASP A 25 85.474 -22.685 -39.127 1.00 0.00 O ATOM 375 CB ASP A 25 83.245 -21.240 -37.139 1.00 0.00 C ATOM 376 CG ASP A 25 82.446 -21.548 -35.878 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.953 -22.277 -35.042 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.338 -21.051 -35.766 1.00 0.00 O ATOM 0 H ASP A 25 84.921 -20.396 -35.545 1.00 0.00 H new ATOM 0 HA ASP A 25 84.562 -22.907 -36.783 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.319 -20.161 -37.278 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.730 -21.639 -38.013 1.00 0.00 H new ATOM 383 N CYS A 26 85.841 -20.514 -38.666 1.00 0.00 N ATOM 384 CA CYS A 26 86.536 -20.263 -39.924 1.00 0.00 C ATOM 385 C CYS A 26 87.801 -21.111 -40.016 1.00 0.00 C ATOM 386 O CYS A 26 88.206 -21.524 -41.102 1.00 0.00 O ATOM 387 CB CYS A 26 86.902 -18.782 -40.033 1.00 0.00 C ATOM 388 SG CYS A 26 86.210 -18.101 -41.560 1.00 0.00 S ATOM 0 H CYS A 26 85.764 -19.702 -38.053 1.00 0.00 H new ATOM 0 HA CYS A 26 85.871 -20.533 -40.744 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.517 -18.237 -39.171 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.985 -18.663 -40.027 1.00 0.00 H new ATOM 393 N LYS A 27 88.422 -21.365 -38.868 1.00 0.00 N ATOM 394 CA LYS A 27 89.643 -22.162 -38.833 1.00 0.00 C ATOM 395 C LYS A 27 89.313 -23.650 -38.879 1.00 0.00 C ATOM 396 O LYS A 27 90.018 -24.433 -39.515 1.00 0.00 O ATOM 397 CB LYS A 27 90.432 -21.851 -37.559 1.00 0.00 C ATOM 398 CG LYS A 27 91.071 -20.466 -37.678 1.00 0.00 C ATOM 399 CD LYS A 27 91.394 -19.930 -36.283 1.00 0.00 C ATOM 400 CE LYS A 27 92.126 -18.593 -36.407 1.00 0.00 C ATOM 401 NZ LYS A 27 93.546 -18.838 -36.788 1.00 0.00 N ATOM 0 H LYS A 27 88.103 -21.034 -37.957 1.00 0.00 H new ATOM 0 HA LYS A 27 90.246 -21.909 -39.705 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.772 -21.885 -36.692 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.202 -22.606 -37.402 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.980 -20.524 -38.276 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.394 -19.785 -38.193 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.476 -19.802 -35.709 1.00 0.00 H new ATOM 0 HD3 LYS A 27 92.012 -20.646 -35.741 1.00 0.00 H new ATOM 0 HE2 LYS A 27 91.640 -17.968 -37.156 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.080 -18.052 -35.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.847 -18.125 -37.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.148 -18.774 -35.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.635 -19.787 -37.205 1.00 0.00 H new ATOM 415 N LEU A 28 88.235 -24.034 -38.202 1.00 0.00 N ATOM 416 CA LEU A 28 87.837 -25.435 -38.149 1.00 0.00 C ATOM 417 C LEU A 28 87.023 -25.806 -39.385 1.00 0.00 C ATOM 418 O LEU A 28 86.970 -26.973 -39.778 1.00 0.00 O ATOM 419 CB LEU A 28 87.007 -25.695 -36.891 1.00 0.00 C ATOM 420 CG LEU A 28 87.823 -25.316 -35.654 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.879 -25.009 -34.491 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.738 -26.481 -35.272 1.00 0.00 C ATOM 0 H LEU A 28 87.626 -23.399 -37.686 1.00 0.00 H new ATOM 0 HA LEU A 28 88.737 -26.049 -38.122 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.085 -25.114 -36.924 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.720 -26.745 -36.843 1.00 0.00 H new ATOM 0 HG LEU A 28 88.426 -24.435 -35.874 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.462 -24.739 -33.611 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.226 -24.179 -34.762 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.275 -25.889 -34.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.320 -26.212 -34.391 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.134 -27.362 -35.053 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.413 -26.700 -36.100 1.00 0.00 H new ATOM 434 N ASP A 29 86.391 -24.808 -39.993 1.00 0.00 N ATOM 435 CA ASP A 29 85.526 -25.051 -41.142 1.00 0.00 C ATOM 436 C ASP A 29 86.331 -25.001 -42.437 1.00 0.00 C ATOM 437 O ASP A 29 86.402 -25.984 -43.173 1.00 0.00 O ATOM 438 CB ASP A 29 84.413 -24.003 -41.190 1.00 0.00 C ATOM 439 CG ASP A 29 83.513 -24.140 -39.967 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.803 -24.986 -39.134 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.547 -23.401 -39.878 1.00 0.00 O ATOM 0 H ASP A 29 86.460 -23.830 -39.712 1.00 0.00 H new ATOM 0 HA ASP A 29 85.085 -26.043 -41.038 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.845 -23.003 -41.223 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.825 -24.126 -42.100 1.00 0.00 H new ATOM 446 N LYS A 30 86.935 -23.848 -42.707 1.00 0.00 N ATOM 447 CA LYS A 30 87.660 -23.652 -43.956 1.00 0.00 C ATOM 448 C LYS A 30 89.147 -23.448 -43.684 1.00 0.00 C ATOM 449 O LYS A 30 89.945 -23.312 -44.612 1.00 0.00 O ATOM 450 CB LYS A 30 87.103 -22.436 -44.700 1.00 0.00 C ATOM 451 CG LYS A 30 85.576 -22.428 -44.592 1.00 0.00 C ATOM 452 CD LYS A 30 85.007 -23.657 -45.302 1.00 0.00 C ATOM 453 CE LYS A 30 83.488 -23.519 -45.424 1.00 0.00 C ATOM 454 NZ LYS A 30 82.954 -24.632 -46.259 1.00 0.00 N ATOM 0 H LYS A 30 86.937 -23.041 -42.083 1.00 0.00 H new ATOM 0 HA LYS A 30 87.533 -24.542 -44.572 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.513 -21.519 -44.278 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.404 -22.467 -45.747 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.275 -22.429 -43.544 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.174 -21.519 -45.039 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.454 -23.758 -46.291 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.257 -24.560 -44.745 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.030 -23.540 -44.435 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.234 -22.559 -45.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.922 -24.539 -46.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.383 -24.592 -47.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.185 -25.543 -45.812 1.00 0.00 H new ATOM 468 N HIS A 31 89.513 -23.429 -42.406 1.00 0.00 N ATOM 469 CA HIS A 31 90.908 -23.247 -42.023 1.00 0.00 C ATOM 470 C HIS A 31 91.398 -21.859 -42.417 1.00 0.00 C ATOM 471 O HIS A 31 92.281 -21.718 -43.263 1.00 0.00 O ATOM 472 CB HIS A 31 91.779 -24.308 -42.699 1.00 0.00 C ATOM 473 CG HIS A 31 91.071 -25.634 -42.668 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.213 -26.524 -41.616 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.211 -26.235 -43.554 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.459 -27.603 -41.892 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.826 -27.478 -43.062 1.00 0.00 N ATOM 0 H HIS A 31 88.868 -23.537 -41.623 1.00 0.00 H new ATOM 0 HA HIS A 31 90.982 -23.351 -40.941 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.988 -24.020 -43.729 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.739 -24.385 -42.189 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.883 -25.808 -44.490 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.375 -28.465 -41.247 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.196 -28.150 -43.500 1.00 0.00 H new ATOM 485 N ALA A 32 90.819 -20.833 -41.799 1.00 0.00 N ATOM 486 CA ALA A 32 91.201 -19.459 -42.100 1.00 0.00 C ATOM 487 C ALA A 32 92.329 -19.003 -41.179 1.00 0.00 C ATOM 488 O ALA A 32 93.017 -19.822 -40.571 1.00 0.00 O ATOM 489 CB ALA A 32 89.996 -18.532 -41.932 1.00 0.00 C ATOM 0 H ALA A 32 90.089 -20.927 -41.092 1.00 0.00 H new ATOM 0 HA ALA A 32 91.550 -19.417 -43.132 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.291 -17.507 -42.159 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.202 -18.840 -42.612 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.635 -18.587 -40.905 1.00 0.00 H new ATOM 495 N ARG A 33 92.510 -17.690 -41.081 1.00 0.00 N ATOM 496 CA ARG A 33 93.563 -17.136 -40.238 1.00 0.00 C ATOM 497 C ARG A 33 92.963 -16.325 -39.094 1.00 0.00 C ATOM 498 O ARG A 33 93.298 -16.536 -37.928 1.00 0.00 O ATOM 499 CB ARG A 33 94.483 -16.241 -41.072 1.00 0.00 C ATOM 500 CG ARG A 33 95.133 -17.070 -42.182 1.00 0.00 C ATOM 501 CD ARG A 33 95.870 -16.141 -43.148 1.00 0.00 C ATOM 502 NE ARG A 33 97.033 -15.553 -42.494 1.00 0.00 N ATOM 503 CZ ARG A 33 98.052 -15.076 -43.203 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.022 -15.133 -44.505 1.00 0.00 N ATOM 505 NH2 ARG A 33 99.081 -14.553 -42.595 1.00 0.00 N ATOM 0 H ARG A 33 91.946 -16.995 -41.570 1.00 0.00 H new ATOM 0 HA ARG A 33 94.139 -17.961 -39.820 1.00 0.00 H new ATOM 0 HB2 ARG A 33 93.913 -15.418 -41.504 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.251 -15.798 -40.437 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.828 -17.791 -41.752 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.373 -17.640 -42.717 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.183 -16.698 -44.031 1.00 0.00 H new ATOM 0 HD3 ARG A 33 95.199 -15.353 -43.489 1.00 0.00 H new ATOM 0 HE ARG A 33 97.066 -15.507 -41.476 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.217 -15.543 -44.979 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.803 -14.767 -45.050 1.00 0.00 H new ATOM 0 HH21 ARG A 33 99.104 -14.510 -41.576 1.00 0.00 H new ATOM 0 HH22 ARG A 33 99.863 -14.187 -43.138 1.00 0.00 H new ATOM 519 N SER A 34 92.075 -15.397 -39.435 1.00 0.00 N ATOM 520 CA SER A 34 91.466 -14.532 -38.431 1.00 0.00 C ATOM 521 C SER A 34 89.944 -14.611 -38.506 1.00 0.00 C ATOM 522 O SER A 34 89.242 -14.044 -37.669 1.00 0.00 O ATOM 523 CB SER A 34 91.915 -13.087 -38.646 1.00 0.00 C ATOM 524 OG SER A 34 91.357 -12.265 -37.629 1.00 0.00 O ATOM 0 H SER A 34 91.763 -15.225 -40.391 1.00 0.00 H new ATOM 0 HA SER A 34 91.787 -14.869 -37.445 1.00 0.00 H new ATOM 0 HB2 SER A 34 93.003 -13.025 -38.623 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.596 -12.737 -39.628 1.00 0.00 H new ATOM 0 HG SER A 34 90.536 -12.678 -37.288 1.00 0.00 H new ATOM 530 N GLY A 35 89.442 -15.314 -39.515 1.00 0.00 N ATOM 531 CA GLY A 35 88.002 -15.452 -39.694 1.00 0.00 C ATOM 532 C GLY A 35 87.281 -14.164 -39.308 1.00 0.00 C ATOM 533 O GLY A 35 86.544 -14.126 -38.324 1.00 0.00 O ATOM 0 H GLY A 35 90.006 -15.794 -40.217 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.782 -15.700 -40.733 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.633 -16.277 -39.085 1.00 0.00 H new ATOM 537 N GLU A 36 87.499 -13.113 -40.091 1.00 0.00 N ATOM 538 CA GLU A 36 86.898 -11.818 -39.798 1.00 0.00 C ATOM 539 C GLU A 36 85.474 -11.753 -40.340 1.00 0.00 C ATOM 540 O GLU A 36 85.168 -12.335 -41.381 1.00 0.00 O ATOM 541 CB GLU A 36 87.735 -10.699 -40.422 1.00 0.00 C ATOM 542 CG GLU A 36 88.858 -10.304 -39.463 1.00 0.00 C ATOM 543 CD GLU A 36 88.280 -9.576 -38.253 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.158 -9.107 -38.350 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.968 -9.498 -37.249 1.00 0.00 O ATOM 0 H GLU A 36 88.083 -13.132 -40.927 1.00 0.00 H new ATOM 0 HA GLU A 36 86.869 -11.689 -38.716 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.154 -11.031 -41.372 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.105 -9.836 -40.636 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.399 -11.193 -39.138 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.576 -9.663 -39.975 1.00 0.00 H new ATOM 552 N CYS A 37 84.607 -11.042 -39.626 1.00 0.00 N ATOM 553 CA CYS A 37 83.218 -10.903 -40.047 1.00 0.00 C ATOM 554 C CYS A 37 83.035 -9.647 -40.891 1.00 0.00 C ATOM 555 O CYS A 37 83.794 -8.686 -40.763 1.00 0.00 O ATOM 556 CB CYS A 37 82.253 -10.756 -38.836 1.00 0.00 C ATOM 557 SG CYS A 37 81.526 -12.333 -38.325 1.00 0.00 S ATOM 0 H CYS A 37 84.839 -10.557 -38.760 1.00 0.00 H new ATOM 0 HA CYS A 37 82.985 -11.806 -40.611 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.795 -10.321 -37.996 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.455 -10.060 -39.095 1.00 0.00 H new ATOM 562 N PHE A 38 82.024 -9.660 -41.754 1.00 0.00 N ATOM 563 CA PHE A 38 81.726 -8.501 -42.587 1.00 0.00 C ATOM 564 C PHE A 38 80.230 -8.417 -42.873 1.00 0.00 C ATOM 565 O PHE A 38 79.550 -9.439 -42.972 1.00 0.00 O ATOM 566 CB PHE A 38 82.496 -8.593 -43.905 1.00 0.00 C ATOM 567 CG PHE A 38 83.979 -8.531 -43.628 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.680 -9.698 -43.301 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.654 -7.306 -43.698 1.00 0.00 C ATOM 570 CE1 PHE A 38 86.054 -9.641 -43.045 1.00 0.00 C ATOM 571 CE2 PHE A 38 86.029 -7.250 -43.442 1.00 0.00 C ATOM 572 CZ PHE A 38 86.729 -8.416 -43.115 1.00 0.00 C ATOM 0 H PHE A 38 81.401 -10.455 -41.894 1.00 0.00 H new ATOM 0 HA PHE A 38 82.032 -7.603 -42.050 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.250 -9.523 -44.418 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.204 -7.777 -44.566 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.160 -10.643 -43.246 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.114 -6.405 -43.949 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.594 -10.542 -42.793 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.550 -6.306 -43.497 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.790 -8.372 -42.917 1.00 0.00 H new ATOM 582 N TYR A 39 79.726 -7.195 -43.006 1.00 0.00 N ATOM 583 CA TYR A 39 78.308 -6.991 -43.283 1.00 0.00 C ATOM 584 C TYR A 39 77.988 -7.355 -44.729 1.00 0.00 C ATOM 585 O TYR A 39 78.609 -6.843 -45.661 1.00 0.00 O ATOM 586 CB TYR A 39 77.930 -5.532 -43.026 1.00 0.00 C ATOM 587 CG TYR A 39 77.615 -5.344 -41.561 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.308 -5.528 -41.097 1.00 0.00 C ATOM 589 CD2 TYR A 39 78.632 -4.986 -40.667 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.016 -5.355 -39.739 1.00 0.00 C ATOM 591 CE2 TYR A 39 78.339 -4.813 -39.309 1.00 0.00 C ATOM 592 CZ TYR A 39 77.032 -4.998 -38.845 1.00 0.00 C ATOM 593 OH TYR A 39 76.744 -4.828 -37.506 1.00 0.00 O ATOM 0 H TYR A 39 80.272 -6.337 -42.927 1.00 0.00 H new ATOM 0 HA TYR A 39 77.731 -7.637 -42.621 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.749 -4.876 -43.320 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.067 -5.256 -43.633 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.524 -5.804 -41.787 1.00 0.00 H new ATOM 0 HD2 TYR A 39 79.641 -4.844 -41.025 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.007 -5.497 -39.381 1.00 0.00 H new ATOM 0 HE2 TYR A 39 79.122 -4.537 -38.619 1.00 0.00 H new ATOM 0 HH TYR A 39 77.561 -4.582 -37.024 1.00 0.00 H new ATOM 603 N ASP A 40 77.016 -8.244 -44.908 1.00 0.00 N ATOM 604 CA ASP A 40 76.624 -8.673 -46.246 1.00 0.00 C ATOM 605 C ASP A 40 75.311 -8.016 -46.658 1.00 0.00 C ATOM 606 O ASP A 40 74.892 -7.020 -46.069 1.00 0.00 O ATOM 607 CB ASP A 40 76.468 -10.195 -46.281 1.00 0.00 C ATOM 608 CG ASP A 40 77.832 -10.862 -46.146 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.777 -10.170 -45.804 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.913 -12.055 -46.385 1.00 0.00 O ATOM 0 H ASP A 40 76.489 -8.678 -44.150 1.00 0.00 H new ATOM 0 HA ASP A 40 77.403 -8.371 -46.946 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.813 -10.520 -45.473 1.00 0.00 H new ATOM 0 HB3 ASP A 40 75.996 -10.499 -47.215 1.00 0.00 H new ATOM 615 N GLU A 41 74.665 -8.581 -47.673 1.00 0.00 N ATOM 616 CA GLU A 41 73.404 -8.035 -48.163 1.00 0.00 C ATOM 617 C GLU A 41 72.317 -8.161 -47.101 1.00 0.00 C ATOM 618 O GLU A 41 71.347 -7.403 -47.100 1.00 0.00 O ATOM 619 CB GLU A 41 72.972 -8.776 -49.430 1.00 0.00 C ATOM 620 CG GLU A 41 74.000 -8.536 -50.538 1.00 0.00 C ATOM 621 CD GLU A 41 73.550 -9.222 -51.824 1.00 0.00 C ATOM 622 OE1 GLU A 41 72.602 -9.988 -51.763 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.159 -8.970 -52.850 1.00 0.00 O ATOM 0 H GLU A 41 74.991 -9.411 -48.169 1.00 0.00 H new ATOM 0 HA GLU A 41 73.551 -6.979 -48.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.883 -9.843 -49.227 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.989 -8.429 -49.750 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.119 -7.466 -50.709 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.973 -8.920 -50.232 1.00 0.00 H new ATOM 630 N LYS A 42 72.485 -9.123 -46.200 1.00 0.00 N ATOM 631 CA LYS A 42 71.511 -9.341 -45.138 1.00 0.00 C ATOM 632 C LYS A 42 71.878 -8.531 -43.899 1.00 0.00 C ATOM 633 O LYS A 42 71.408 -8.816 -42.797 1.00 0.00 O ATOM 634 CB LYS A 42 71.452 -10.827 -44.779 1.00 0.00 C ATOM 635 CG LYS A 42 71.020 -11.632 -46.006 1.00 0.00 C ATOM 636 CD LYS A 42 71.266 -13.121 -45.753 1.00 0.00 C ATOM 637 CE LYS A 42 70.371 -13.599 -44.608 1.00 0.00 C ATOM 638 NZ LYS A 42 70.290 -15.087 -44.630 1.00 0.00 N ATOM 0 H LYS A 42 73.281 -9.760 -46.184 1.00 0.00 H new ATOM 0 HA LYS A 42 70.534 -9.015 -45.495 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.428 -11.167 -44.433 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.750 -10.987 -43.961 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.965 -11.457 -46.215 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.577 -11.305 -46.884 1.00 0.00 H new ATOM 0 HD2 LYS A 42 71.056 -13.694 -46.656 1.00 0.00 H new ATOM 0 HD3 LYS A 42 72.314 -13.290 -45.505 1.00 0.00 H new ATOM 0 HE2 LYS A 42 70.772 -13.260 -43.653 1.00 0.00 H new ATOM 0 HE3 LYS A 42 69.375 -13.168 -44.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 69.682 -15.413 -43.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 69.889 -15.399 -45.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 71.243 -15.488 -44.516 1.00 0.00 H new ATOM 652 N ARG A 43 72.720 -7.520 -44.088 1.00 0.00 N ATOM 653 CA ARG A 43 73.159 -6.687 -42.974 1.00 0.00 C ATOM 654 C ARG A 43 73.567 -7.554 -41.786 1.00 0.00 C ATOM 655 O ARG A 43 73.635 -7.078 -40.653 1.00 0.00 O ATOM 656 CB ARG A 43 72.034 -5.740 -42.554 1.00 0.00 C ATOM 657 CG ARG A 43 72.161 -4.423 -43.325 1.00 0.00 C ATOM 658 CD ARG A 43 73.178 -3.519 -42.627 1.00 0.00 C ATOM 659 NE ARG A 43 73.847 -2.667 -43.603 1.00 0.00 N ATOM 660 CZ ARG A 43 73.211 -1.654 -44.182 1.00 0.00 C ATOM 661 NH1 ARG A 43 71.965 -1.410 -43.882 1.00 0.00 N ATOM 662 NH2 ARG A 43 73.832 -0.905 -45.052 1.00 0.00 N ATOM 0 H ARG A 43 73.109 -7.259 -44.994 1.00 0.00 H new ATOM 0 HA ARG A 43 74.021 -6.104 -43.298 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.065 -6.198 -42.753 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.084 -5.552 -41.481 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.476 -4.618 -44.350 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.193 -3.926 -43.378 1.00 0.00 H new ATOM 0 HD2 ARG A 43 72.676 -2.904 -41.880 1.00 0.00 H new ATOM 0 HD3 ARG A 43 73.913 -4.126 -42.099 1.00 0.00 H new ATOM 0 HE ARG A 43 74.820 -2.852 -43.846 1.00 0.00 H new ATOM 0 HH11 ARG A 43 71.480 -1.997 -43.203 1.00 0.00 H new ATOM 0 HH12 ARG A 43 71.476 -0.633 -44.326 1.00 0.00 H new ATOM 0 HH21 ARG A 43 74.806 -1.097 -45.288 1.00 0.00 H new ATOM 0 HH22 ARG A 43 73.344 -0.128 -45.496 1.00 0.00 H new ATOM 676 N ASN A 44 73.837 -8.827 -42.054 1.00 0.00 N ATOM 677 CA ASN A 44 74.233 -9.752 -40.999 1.00 0.00 C ATOM 678 C ASN A 44 75.739 -9.991 -41.032 1.00 0.00 C ATOM 679 O ASN A 44 76.370 -9.892 -42.085 1.00 0.00 O ATOM 680 CB ASN A 44 73.499 -11.084 -41.168 1.00 0.00 C ATOM 681 CG ASN A 44 72.025 -10.915 -40.820 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.589 -9.816 -40.474 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.224 -11.944 -40.889 1.00 0.00 N ATOM 0 H ASN A 44 73.789 -9.239 -42.986 1.00 0.00 H new ATOM 0 HA ASN A 44 73.968 -9.311 -40.038 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.601 -11.437 -42.194 1.00 0.00 H new ATOM 0 HB3 ASN A 44 73.949 -11.840 -40.525 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.237 -11.838 -40.656 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.586 -12.854 -41.176 1.00 0.00 H new ATOM 690 N LEU A 45 76.311 -10.305 -39.874 1.00 0.00 N ATOM 691 CA LEU A 45 77.741 -10.578 -39.788 1.00 0.00 C ATOM 692 C LEU A 45 78.042 -12.007 -40.229 1.00 0.00 C ATOM 693 O LEU A 45 77.503 -12.964 -39.676 1.00 0.00 O ATOM 694 CB LEU A 45 78.226 -10.373 -38.351 1.00 0.00 C ATOM 695 CG LEU A 45 77.604 -9.098 -37.780 1.00 0.00 C ATOM 696 CD1 LEU A 45 78.048 -8.921 -36.326 1.00 0.00 C ATOM 697 CD2 LEU A 45 78.065 -7.894 -38.603 1.00 0.00 C ATOM 0 H LEU A 45 75.810 -10.376 -38.988 1.00 0.00 H new ATOM 0 HA LEU A 45 78.264 -9.888 -40.450 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.951 -11.231 -37.737 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.313 -10.301 -38.330 1.00 0.00 H new ATOM 0 HG LEU A 45 76.517 -9.173 -37.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.605 -8.012 -35.918 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.721 -9.779 -35.739 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.135 -8.845 -36.284 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.622 -6.985 -38.197 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.152 -7.819 -38.561 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.750 -8.019 -39.639 1.00 0.00 H new ATOM 709 N GLN A 46 78.907 -12.141 -41.230 1.00 0.00 N ATOM 710 CA GLN A 46 79.271 -13.458 -41.739 1.00 0.00 C ATOM 711 C GLN A 46 80.768 -13.701 -41.575 1.00 0.00 C ATOM 712 O GLN A 46 81.589 -12.958 -42.112 1.00 0.00 O ATOM 713 CB GLN A 46 78.895 -13.567 -43.219 1.00 0.00 C ATOM 714 CG GLN A 46 77.417 -13.213 -43.398 1.00 0.00 C ATOM 715 CD GLN A 46 76.542 -14.301 -42.784 1.00 0.00 C ATOM 716 OE1 GLN A 46 77.047 -15.343 -42.369 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.253 -14.119 -42.703 1.00 0.00 N ATOM 0 H GLN A 46 79.365 -11.361 -41.701 1.00 0.00 H new ATOM 0 HA GLN A 46 78.727 -14.211 -41.168 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.515 -12.896 -43.813 1.00 0.00 H new ATOM 0 HB3 GLN A 46 79.084 -14.578 -43.580 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.204 -12.254 -42.925 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.186 -13.104 -44.458 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.837 -13.254 -43.048 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.661 -14.842 -42.295 1.00 0.00 H new ATOM 726 N CYS A 47 81.115 -14.744 -40.828 1.00 0.00 N ATOM 727 CA CYS A 47 82.517 -15.088 -40.620 1.00 0.00 C ATOM 728 C CYS A 47 83.200 -15.383 -41.952 1.00 0.00 C ATOM 729 O CYS A 47 82.905 -16.386 -42.603 1.00 0.00 O ATOM 730 CB CYS A 47 82.668 -16.320 -39.711 1.00 0.00 C ATOM 731 SG CYS A 47 81.737 -16.140 -38.169 1.00 0.00 S ATOM 0 H CYS A 47 80.451 -15.361 -40.360 1.00 0.00 H new ATOM 0 HA CYS A 47 82.987 -14.230 -40.139 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.323 -17.207 -40.242 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.722 -16.475 -39.482 1.00 0.00 H new ATOM 736 N ILE A 48 84.114 -14.505 -42.350 1.00 0.00 N ATOM 737 CA ILE A 48 84.819 -14.671 -43.615 1.00 0.00 C ATOM 738 C ILE A 48 86.217 -15.233 -43.380 1.00 0.00 C ATOM 739 O ILE A 48 87.039 -14.615 -42.704 1.00 0.00 O ATOM 740 CB ILE A 48 84.923 -13.328 -44.337 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.521 -12.839 -44.707 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.755 -13.493 -45.610 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.624 -11.748 -45.775 1.00 0.00 C ATOM 0 H ILE A 48 84.383 -13.677 -41.819 1.00 0.00 H new ATOM 0 HA ILE A 48 84.256 -15.372 -44.232 1.00 0.00 H new ATOM 0 HB ILE A 48 85.403 -12.601 -43.682 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.921 -13.670 -45.078 1.00 0.00 H new ATOM 0 HG13 ILE A 48 83.015 -12.450 -43.823 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.828 -12.534 -46.124 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.754 -13.842 -45.349 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.276 -14.220 -46.266 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.625 -11.401 -46.038 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.208 -10.913 -45.387 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.112 -12.152 -46.662 1.00 0.00 H new ATOM 755 N CYS A 49 86.480 -16.409 -43.940 1.00 0.00 N ATOM 756 CA CYS A 49 87.791 -17.033 -43.804 1.00 0.00 C ATOM 757 C CYS A 49 88.796 -16.378 -44.747 1.00 0.00 C ATOM 758 O CYS A 49 88.613 -16.380 -45.964 1.00 0.00 O ATOM 759 CB CYS A 49 87.699 -18.517 -44.159 1.00 0.00 C ATOM 760 SG CYS A 49 86.703 -19.456 -42.975 1.00 0.00 S ATOM 0 H CYS A 49 85.808 -16.946 -44.488 1.00 0.00 H new ATOM 0 HA CYS A 49 88.120 -16.909 -42.772 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.268 -18.622 -45.155 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.703 -18.940 -44.200 1.00 0.00 H new ATOM 765 N ASP A 50 89.857 -15.818 -44.176 1.00 0.00 N ATOM 766 CA ASP A 50 90.870 -15.136 -44.972 1.00 0.00 C ATOM 767 C ASP A 50 92.191 -15.895 -44.925 1.00 0.00 C ATOM 768 O ASP A 50 92.854 -15.942 -43.889 1.00 0.00 O ATOM 769 CB ASP A 50 91.078 -13.714 -44.448 1.00 0.00 C ATOM 770 CG ASP A 50 89.733 -13.088 -44.093 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.720 -13.698 -44.390 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.737 -12.007 -43.527 1.00 0.00 O ATOM 0 H ASP A 50 90.037 -15.823 -43.172 1.00 0.00 H new ATOM 0 HA ASP A 50 90.524 -15.095 -46.005 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.723 -13.732 -43.570 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.582 -13.110 -45.202 1.00 0.00 H new ATOM 777 N TYR A 51 92.567 -16.490 -46.052 1.00 0.00 N ATOM 778 CA TYR A 51 93.833 -17.209 -46.140 1.00 0.00 C ATOM 779 C TYR A 51 94.890 -16.349 -46.827 1.00 0.00 C ATOM 780 O TYR A 51 95.404 -16.709 -47.885 1.00 0.00 O ATOM 781 CB TYR A 51 93.640 -18.509 -46.922 1.00 0.00 C ATOM 782 CG TYR A 51 92.228 -19.008 -46.727 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.931 -19.870 -45.666 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.216 -18.607 -47.607 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.621 -20.332 -45.485 1.00 0.00 C ATOM 786 CE2 TYR A 51 89.907 -19.069 -47.426 1.00 0.00 C ATOM 787 CZ TYR A 51 89.609 -19.932 -46.364 1.00 0.00 C ATOM 788 OH TYR A 51 88.319 -20.387 -46.186 1.00 0.00 O ATOM 0 H TYR A 51 92.018 -16.489 -46.912 1.00 0.00 H new ATOM 0 HA TYR A 51 94.171 -17.440 -45.130 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.835 -18.341 -47.981 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.353 -19.260 -46.582 1.00 0.00 H new ATOM 0 HD1 TYR A 51 92.712 -20.179 -44.987 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.445 -17.941 -48.426 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.392 -20.998 -44.666 1.00 0.00 H new ATOM 0 HE2 TYR A 51 89.127 -18.760 -48.106 1.00 0.00 H new ATOM 0 HH TYR A 51 87.741 -20.012 -46.883 1.00 0.00 H new ATOM 798 N CYS A 52 95.209 -15.213 -46.216 1.00 0.00 N ATOM 799 CA CYS A 52 96.188 -14.296 -46.790 1.00 0.00 C ATOM 800 C CYS A 52 96.493 -13.162 -45.817 1.00 0.00 C ATOM 801 O CYS A 52 96.130 -13.222 -44.643 1.00 0.00 O ATOM 802 CB CYS A 52 95.657 -13.718 -48.102 1.00 0.00 C ATOM 803 SG CYS A 52 95.961 -14.890 -49.447 1.00 0.00 S ATOM 0 H CYS A 52 94.808 -14.906 -45.330 1.00 0.00 H new ATOM 0 HA CYS A 52 97.107 -14.850 -46.985 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.589 -13.516 -48.016 1.00 0.00 H new ATOM 0 HB3 CYS A 52 96.145 -12.767 -48.317 1.00 0.00 H new ATOM 808 N GLU A 53 97.164 -12.127 -46.315 1.00 0.00 N ATOM 809 CA GLU A 53 97.493 -10.974 -45.486 1.00 0.00 C ATOM 810 C GLU A 53 96.650 -9.767 -45.889 1.00 0.00 C ATOM 811 O GLU A 53 97.151 -8.826 -46.507 1.00 0.00 O ATOM 812 CB GLU A 53 98.978 -10.633 -45.631 1.00 0.00 C ATOM 813 CG GLU A 53 99.821 -11.783 -45.079 1.00 0.00 C ATOM 814 CD GLU A 53 101.302 -11.425 -45.151 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.615 -10.392 -45.718 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.102 -12.190 -44.636 1.00 0.00 O ATOM 0 H GLU A 53 97.488 -12.064 -47.280 1.00 0.00 H new ATOM 0 HA GLU A 53 97.278 -11.223 -44.447 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.222 -10.460 -46.679 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.205 -9.712 -45.095 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.538 -11.989 -44.047 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.630 -12.692 -45.650 1.00 0.00 H new ATOM 823 N TYR A 54 95.370 -9.800 -45.535 1.00 0.00 N ATOM 824 CA TYR A 54 94.469 -8.700 -45.857 1.00 0.00 C ATOM 825 C TYR A 54 94.741 -8.180 -47.266 1.00 0.00 C ATOM 826 CB TYR A 54 94.651 -7.564 -44.848 1.00 0.00 C ATOM 827 CG TYR A 54 94.560 -8.117 -43.446 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.692 -8.670 -42.837 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.342 -8.075 -42.756 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.607 -9.183 -41.536 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.258 -8.587 -41.455 1.00 0.00 C ATOM 832 CZ TYR A 54 94.389 -9.141 -40.846 1.00 0.00 C ATOM 833 OH TYR A 54 94.306 -9.646 -39.565 1.00 0.00 O ATOM 0 H TYR A 54 94.935 -10.571 -45.028 1.00 0.00 H new ATOM 0 HA TYR A 54 93.444 -9.068 -45.809 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.617 -7.081 -44.998 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.887 -6.802 -45.000 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.631 -8.701 -43.370 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.469 -7.648 -43.227 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.480 -9.611 -41.066 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.319 -8.554 -40.922 1.00 0.00 H new ATOM 0 HH TYR A 54 93.392 -9.538 -39.229 1.00 0.00 H new TER 843 TYR A 54