USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 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 42 LYS NZ :NH3+ -123:sc= -7.41! (180deg=-4.31!) USER MOD Set 1.2: A 44 ASN : amide:sc= -6.13! C(o=-14!,f=-8!) USER MOD Set 2.1: A 8 TYR OH : rot -156:sc= -0.745 USER MOD Set 2.2: A 11 TYR OH : rot 3:sc= -0.905 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -4.17! (180deg=-5.87!) USER MOD Single : A 6 LYS NZ :NH3+ 150:sc= 0.348 (180deg=-0.721) USER MOD Single : A 10 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.6!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 21 GLN : amide:sc= -3.75! C(o=-3.7!,f=-9.3!) USER MOD Single : A 23 ASN : amide:sc= -2.9! C(o=-2.9!,f=-9.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= -0.185 (180deg=-1.12) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-0.95) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.4!) USER MOD Single : A 51 TYR OH : rot 60:sc= -2.69 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 90.497 -9.564 -53.460 1.00 0.00 N ATOM 2 CA ASP A 2 91.207 -10.605 -52.725 1.00 0.00 C ATOM 3 C ASP A 2 90.404 -11.903 -52.724 1.00 0.00 C ATOM 4 O ASP A 2 89.497 -12.083 -51.912 1.00 0.00 O ATOM 5 CB ASP A 2 91.451 -10.154 -51.284 1.00 0.00 C ATOM 6 CG ASP A 2 92.437 -8.990 -51.262 1.00 0.00 C ATOM 7 OD1 ASP A 2 93.068 -8.756 -52.279 1.00 0.00 O ATOM 8 OD2 ASP A 2 92.546 -8.351 -50.228 1.00 0.00 O ATOM 0 HA ASP A 2 92.163 -10.782 -53.217 1.00 0.00 H new ATOM 0 HB2 ASP A 2 90.510 -9.853 -50.824 1.00 0.00 H new ATOM 0 HB3 ASP A 2 91.842 -10.984 -50.696 1.00 0.00 H new ATOM 13 N LYS A 3 90.744 -12.803 -53.640 1.00 0.00 N ATOM 14 CA LYS A 3 90.047 -14.080 -53.739 1.00 0.00 C ATOM 15 C LYS A 3 90.241 -14.898 -52.467 1.00 0.00 C ATOM 16 O LYS A 3 89.508 -15.854 -52.213 1.00 0.00 O ATOM 17 CB LYS A 3 90.572 -14.869 -54.940 1.00 0.00 C ATOM 18 CG LYS A 3 90.228 -14.125 -56.232 1.00 0.00 C ATOM 19 CD LYS A 3 90.636 -14.976 -57.436 1.00 0.00 C ATOM 20 CE LYS A 3 90.389 -14.190 -58.724 1.00 0.00 C ATOM 21 NZ LYS A 3 90.826 -15.004 -59.894 1.00 0.00 N ATOM 0 H LYS A 3 91.493 -12.674 -54.320 1.00 0.00 H new ATOM 0 HA LYS A 3 88.983 -13.882 -53.870 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.651 -14.999 -54.859 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.131 -15.866 -54.954 1.00 0.00 H new ATOM 0 HG2 LYS A 3 89.159 -13.913 -56.269 1.00 0.00 H new ATOM 0 HG3 LYS A 3 90.744 -13.165 -56.260 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.688 -15.250 -57.361 1.00 0.00 H new ATOM 0 HD3 LYS A 3 90.065 -15.904 -57.449 1.00 0.00 H new ATOM 0 HE2 LYS A 3 89.331 -13.942 -58.814 1.00 0.00 H new ATOM 0 HE3 LYS A 3 90.936 -13.248 -58.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 90.658 -14.470 -60.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 91.840 -15.219 -59.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 90.285 -15.892 -59.921 1.00 0.00 H new ATOM 35 N CYS A 4 91.235 -14.517 -51.669 1.00 0.00 N ATOM 36 CA CYS A 4 91.520 -15.227 -50.427 1.00 0.00 C ATOM 37 C CYS A 4 90.344 -15.147 -49.462 1.00 0.00 C ATOM 38 O CYS A 4 90.036 -16.110 -48.759 1.00 0.00 O ATOM 39 CB CYS A 4 92.731 -14.601 -49.735 1.00 0.00 C ATOM 40 SG CYS A 4 94.146 -14.617 -50.863 1.00 0.00 S ATOM 0 H CYS A 4 91.852 -13.727 -51.858 1.00 0.00 H new ATOM 0 HA CYS A 4 91.712 -16.268 -50.685 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.503 -13.578 -49.435 1.00 0.00 H new ATOM 0 HB3 CYS A 4 92.970 -15.154 -48.827 1.00 0.00 H new ATOM 45 N LYS A 5 89.697 -13.988 -49.425 1.00 0.00 N ATOM 46 CA LYS A 5 88.568 -13.782 -48.525 1.00 0.00 C ATOM 47 C LYS A 5 87.360 -14.593 -48.986 1.00 0.00 C ATOM 48 O LYS A 5 86.826 -14.365 -50.072 1.00 0.00 O ATOM 49 CB LYS A 5 88.202 -12.298 -48.477 1.00 0.00 C ATOM 50 CG LYS A 5 89.478 -11.456 -48.545 1.00 0.00 C ATOM 51 CD LYS A 5 90.398 -11.826 -47.380 1.00 0.00 C ATOM 52 CE LYS A 5 91.590 -10.868 -47.346 1.00 0.00 C ATOM 53 NZ LYS A 5 92.670 -11.450 -46.500 1.00 0.00 N ATOM 0 H LYS A 5 89.932 -13.181 -50.003 1.00 0.00 H new ATOM 0 HA LYS A 5 88.856 -14.116 -47.528 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.544 -12.048 -49.309 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.656 -12.077 -47.560 1.00 0.00 H new ATOM 0 HG2 LYS A 5 89.988 -11.626 -49.493 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.229 -10.396 -48.503 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.850 -11.774 -46.439 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.746 -12.853 -47.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 91.959 -10.693 -48.357 1.00 0.00 H new ATOM 0 HE3 LYS A 5 91.282 -9.901 -46.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 93.589 -11.060 -46.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 92.496 -11.213 -45.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 92.681 -12.484 -46.613 1.00 0.00 H new ATOM 67 N LYS A 6 86.936 -15.539 -48.155 1.00 0.00 N ATOM 68 CA LYS A 6 85.785 -16.372 -48.484 1.00 0.00 C ATOM 69 C LYS A 6 84.725 -16.276 -47.391 1.00 0.00 C ATOM 70 O LYS A 6 85.044 -16.279 -46.202 1.00 0.00 O ATOM 71 CB LYS A 6 86.225 -17.828 -48.646 1.00 0.00 C ATOM 72 CG LYS A 6 87.202 -17.939 -49.818 1.00 0.00 C ATOM 73 CD LYS A 6 87.555 -19.410 -50.052 1.00 0.00 C ATOM 74 CE LYS A 6 88.637 -19.511 -51.128 1.00 0.00 C ATOM 75 NZ LYS A 6 89.858 -18.789 -50.673 1.00 0.00 N ATOM 0 H LYS A 6 87.368 -15.747 -47.255 1.00 0.00 H new ATOM 0 HA LYS A 6 85.357 -16.016 -49.421 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.699 -18.180 -47.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.357 -18.464 -48.821 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.757 -17.513 -50.717 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.105 -17.366 -49.608 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.906 -19.862 -49.125 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.668 -19.963 -50.360 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.872 -20.557 -51.325 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.276 -19.083 -52.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.701 -19.238 -51.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 89.809 -17.796 -50.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.918 -18.828 -49.635 1.00 0.00 H new ATOM 89 N VAL A 7 83.464 -16.192 -47.802 1.00 0.00 N ATOM 90 CA VAL A 7 82.367 -16.075 -46.848 1.00 0.00 C ATOM 91 C VAL A 7 81.491 -17.324 -46.881 1.00 0.00 C ATOM 92 O VAL A 7 81.055 -17.760 -47.945 1.00 0.00 O ATOM 93 CB VAL A 7 81.517 -14.845 -47.175 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.900 -15.006 -48.565 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.402 -14.707 -46.136 1.00 0.00 C ATOM 0 H VAL A 7 83.178 -16.203 -48.781 1.00 0.00 H new ATOM 0 HA VAL A 7 82.791 -15.968 -45.849 1.00 0.00 H new ATOM 0 HB VAL A 7 82.145 -13.954 -47.157 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.295 -14.130 -48.798 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.693 -15.106 -49.306 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.272 -15.897 -48.583 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.795 -13.831 -46.367 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.775 -15.598 -46.155 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.841 -14.593 -45.145 1.00 0.00 H new ATOM 105 N TYR A 8 81.237 -17.892 -45.706 1.00 0.00 N ATOM 106 CA TYR A 8 80.363 -19.056 -45.604 1.00 0.00 C ATOM 107 C TYR A 8 79.472 -18.947 -44.371 1.00 0.00 C ATOM 108 O TYR A 8 79.953 -18.983 -43.239 1.00 0.00 O ATOM 109 CB TYR A 8 81.200 -20.333 -45.523 1.00 0.00 C ATOM 110 CG TYR A 8 81.672 -20.540 -44.103 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.880 -19.975 -43.678 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.902 -21.297 -43.212 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.318 -20.167 -42.362 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.340 -21.489 -41.897 1.00 0.00 C ATOM 115 CZ TYR A 8 82.548 -20.925 -41.471 1.00 0.00 C ATOM 116 OH TYR A 8 82.980 -21.114 -40.174 1.00 0.00 O ATOM 0 H TYR A 8 81.620 -17.569 -44.818 1.00 0.00 H new ATOM 0 HA TYR A 8 79.732 -19.094 -46.492 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.609 -21.189 -45.849 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.056 -20.262 -46.195 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.474 -19.391 -44.365 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.970 -21.733 -43.540 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.250 -19.730 -42.034 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.745 -22.073 -41.210 1.00 0.00 H new ATOM 0 HH TYR A 8 82.577 -21.930 -39.810 1.00 0.00 H new ATOM 126 N GLU A 9 78.169 -18.813 -44.601 1.00 0.00 N ATOM 127 CA GLU A 9 77.226 -18.615 -43.506 1.00 0.00 C ATOM 128 C GLU A 9 77.120 -19.873 -42.650 1.00 0.00 C ATOM 129 O GLU A 9 77.806 -20.006 -41.637 1.00 0.00 O ATOM 130 CB GLU A 9 75.848 -18.255 -44.064 1.00 0.00 C ATOM 131 CG GLU A 9 75.968 -17.033 -44.975 1.00 0.00 C ATOM 132 CD GLU A 9 74.585 -16.600 -45.452 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.642 -17.339 -45.220 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.490 -15.538 -46.044 1.00 0.00 O ATOM 0 H GLU A 9 77.745 -18.838 -45.528 1.00 0.00 H new ATOM 0 HA GLU A 9 77.590 -17.799 -42.882 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.438 -19.098 -44.621 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.157 -18.046 -43.247 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.449 -16.215 -44.439 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.600 -17.268 -45.831 1.00 0.00 H new ATOM 141 N ASN A 10 76.252 -20.791 -43.062 1.00 0.00 N ATOM 142 CA ASN A 10 75.991 -21.989 -42.272 1.00 0.00 C ATOM 143 C ASN A 10 75.423 -21.611 -40.908 1.00 0.00 C ATOM 144 O ASN A 10 74.327 -22.035 -40.540 1.00 0.00 O ATOM 145 CB ASN A 10 77.284 -22.786 -42.086 1.00 0.00 C ATOM 146 CG ASN A 10 77.769 -23.313 -43.431 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.051 -23.229 -44.428 1.00 0.00 O ATOM 148 ND2 ASN A 10 78.953 -23.854 -43.520 1.00 0.00 N ATOM 0 H ASN A 10 75.721 -20.730 -43.931 1.00 0.00 H new ATOM 0 HA ASN A 10 75.262 -22.602 -42.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.049 -22.153 -41.636 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.114 -23.616 -41.401 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.286 -24.208 -44.417 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.546 -23.922 -42.693 1.00 0.00 H new ATOM 155 N TYR A 11 76.177 -20.807 -40.165 1.00 0.00 N ATOM 156 CA TYR A 11 75.692 -20.273 -38.898 1.00 0.00 C ATOM 157 C TYR A 11 75.702 -18.748 -38.928 1.00 0.00 C ATOM 158 O TYR A 11 76.757 -18.120 -38.834 1.00 0.00 O ATOM 159 CB TYR A 11 76.570 -20.772 -37.749 1.00 0.00 C ATOM 160 CG TYR A 11 77.974 -20.246 -37.922 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.330 -19.007 -37.376 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.922 -20.998 -38.625 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.632 -18.519 -37.535 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.224 -20.511 -38.785 1.00 0.00 C ATOM 165 CZ TYR A 11 80.580 -19.272 -38.239 1.00 0.00 C ATOM 166 OH TYR A 11 81.864 -18.792 -38.395 1.00 0.00 O ATOM 0 H TYR A 11 77.121 -20.513 -40.417 1.00 0.00 H new ATOM 0 HA TYR A 11 74.669 -20.617 -38.744 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.161 -20.440 -36.795 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.578 -21.862 -37.731 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.599 -18.427 -36.832 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.648 -21.955 -39.044 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.906 -17.562 -37.115 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.954 -21.091 -39.330 1.00 0.00 H new ATOM 0 HH TYR A 11 81.956 -17.942 -37.916 1.00 0.00 H new ATOM 176 N PRO A 12 74.549 -18.150 -39.059 1.00 0.00 N ATOM 177 CA PRO A 12 74.408 -16.674 -39.168 1.00 0.00 C ATOM 178 C PRO A 12 75.199 -15.933 -38.094 1.00 0.00 C ATOM 179 O PRO A 12 75.902 -16.547 -37.291 1.00 0.00 O ATOM 180 CB PRO A 12 72.871 -16.416 -39.026 1.00 0.00 C ATOM 181 CG PRO A 12 72.254 -17.707 -39.464 1.00 0.00 C ATOM 182 CD PRO A 12 73.244 -18.826 -39.115 1.00 0.00 C ATOM 0 HA PRO A 12 74.809 -16.302 -40.111 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.599 -16.170 -38.000 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.545 -15.584 -39.650 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.300 -17.867 -38.962 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.052 -17.693 -40.535 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.997 -19.293 -38.162 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.236 -19.614 -39.868 1.00 0.00 H new ATOM 190 N VAL A 13 75.077 -14.609 -38.088 1.00 0.00 N ATOM 191 CA VAL A 13 75.812 -13.787 -37.133 1.00 0.00 C ATOM 192 C VAL A 13 75.658 -14.339 -35.720 1.00 0.00 C ATOM 193 O VAL A 13 76.345 -13.906 -34.795 1.00 0.00 O ATOM 194 CB VAL A 13 75.297 -12.347 -37.182 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.784 -12.355 -37.405 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.612 -11.649 -35.857 1.00 0.00 C ATOM 0 H VAL A 13 74.481 -14.086 -38.729 1.00 0.00 H new ATOM 0 HA VAL A 13 76.868 -13.804 -37.402 1.00 0.00 H new ATOM 0 HB VAL A 13 75.783 -11.814 -37.999 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.416 -11.330 -37.440 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.558 -12.854 -38.347 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.298 -12.887 -36.587 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.246 -10.623 -35.890 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.125 -12.182 -35.040 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.690 -11.644 -35.695 1.00 0.00 H new ATOM 206 N SER A 14 74.751 -15.298 -35.562 1.00 0.00 N ATOM 207 CA SER A 14 74.484 -15.873 -34.248 1.00 0.00 C ATOM 208 C SER A 14 75.785 -16.075 -33.478 1.00 0.00 C ATOM 209 O SER A 14 75.913 -15.642 -32.334 1.00 0.00 O ATOM 210 CB SER A 14 73.768 -17.215 -34.403 1.00 0.00 C ATOM 211 OG SER A 14 73.412 -17.708 -33.118 1.00 0.00 O ATOM 0 H SER A 14 74.193 -15.691 -36.320 1.00 0.00 H new ATOM 0 HA SER A 14 73.849 -15.184 -33.692 1.00 0.00 H new ATOM 0 HB2 SER A 14 72.877 -17.096 -35.019 1.00 0.00 H new ATOM 0 HB3 SER A 14 74.415 -17.929 -34.913 1.00 0.00 H new ATOM 0 HG SER A 14 72.951 -18.568 -33.214 1.00 0.00 H new ATOM 217 N LYS A 15 76.748 -16.732 -34.116 1.00 0.00 N ATOM 218 CA LYS A 15 78.032 -16.996 -33.476 1.00 0.00 C ATOM 219 C LYS A 15 78.952 -15.788 -33.607 1.00 0.00 C ATOM 220 O LYS A 15 79.696 -15.458 -32.683 1.00 0.00 O ATOM 221 CB LYS A 15 78.695 -18.217 -34.116 1.00 0.00 C ATOM 222 CG LYS A 15 77.753 -19.419 -34.025 1.00 0.00 C ATOM 223 CD LYS A 15 78.513 -20.693 -34.394 1.00 0.00 C ATOM 224 CE LYS A 15 77.572 -21.895 -34.304 1.00 0.00 C ATOM 225 NZ LYS A 15 78.352 -23.153 -34.481 1.00 0.00 N ATOM 0 H LYS A 15 76.665 -17.089 -35.068 1.00 0.00 H new ATOM 0 HA LYS A 15 77.856 -17.193 -32.418 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.935 -18.008 -35.159 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.635 -18.440 -33.611 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.350 -19.503 -33.016 1.00 0.00 H new ATOM 0 HG3 LYS A 15 76.905 -19.282 -34.696 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.916 -20.609 -35.403 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.360 -20.831 -33.722 1.00 0.00 H new ATOM 0 HE2 LYS A 15 77.065 -21.902 -33.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 76.799 -21.823 -35.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.712 -23.970 -34.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.816 -23.146 -35.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.073 -23.222 -33.735 1.00 0.00 H new ATOM 239 N CYS A 16 78.896 -15.131 -34.761 1.00 0.00 N ATOM 240 CA CYS A 16 79.765 -13.990 -35.022 1.00 0.00 C ATOM 241 C CYS A 16 79.678 -12.978 -33.886 1.00 0.00 C ATOM 242 O CYS A 16 80.404 -11.982 -33.871 1.00 0.00 O ATOM 243 CB CYS A 16 79.363 -13.319 -36.337 1.00 0.00 C ATOM 244 SG CYS A 16 80.412 -11.872 -36.621 1.00 0.00 S ATOM 0 H CYS A 16 78.263 -15.367 -35.525 1.00 0.00 H new ATOM 0 HA CYS A 16 80.792 -14.349 -35.095 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.465 -14.023 -37.163 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.315 -13.020 -36.300 1.00 0.00 H new ATOM 249 N GLN A 17 78.788 -13.239 -32.933 1.00 0.00 N ATOM 250 CA GLN A 17 78.627 -12.349 -31.788 1.00 0.00 C ATOM 251 C GLN A 17 79.955 -12.171 -31.061 1.00 0.00 C ATOM 252 O GLN A 17 80.166 -11.175 -30.368 1.00 0.00 O ATOM 253 CB GLN A 17 77.586 -12.922 -30.824 1.00 0.00 C ATOM 254 CG GLN A 17 76.218 -12.956 -31.509 1.00 0.00 C ATOM 255 CD GLN A 17 75.660 -11.543 -31.627 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.936 -10.692 -30.780 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.887 -11.239 -32.633 1.00 0.00 N ATOM 0 H GLN A 17 78.172 -14.052 -32.930 1.00 0.00 H new ATOM 0 HA GLN A 17 78.290 -11.377 -32.149 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.875 -13.927 -30.516 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.537 -12.313 -29.921 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.308 -13.404 -32.499 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.531 -13.581 -30.938 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.660 -11.945 -33.333 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.510 -10.295 -32.719 1.00 0.00 H new ATOM 266 N LEU A 18 80.848 -13.141 -31.224 1.00 0.00 N ATOM 267 CA LEU A 18 82.170 -13.061 -30.614 1.00 0.00 C ATOM 268 C LEU A 18 83.257 -13.204 -31.675 1.00 0.00 C ATOM 269 O LEU A 18 83.391 -14.254 -32.303 1.00 0.00 O ATOM 270 CB LEU A 18 82.330 -14.165 -29.567 1.00 0.00 C ATOM 271 CG LEU A 18 81.238 -14.026 -28.507 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.906 -15.405 -27.932 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.731 -13.112 -27.384 1.00 0.00 C ATOM 0 H LEU A 18 80.682 -13.987 -31.770 1.00 0.00 H new ATOM 0 HA LEU A 18 82.270 -12.088 -30.134 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.267 -15.144 -30.043 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.313 -14.099 -29.102 1.00 0.00 H new ATOM 0 HG LEU A 18 80.345 -13.596 -28.960 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.127 -15.306 -27.176 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.555 -16.058 -28.731 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.799 -15.835 -27.479 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.952 -13.012 -26.628 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.624 -13.542 -26.931 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.968 -12.129 -27.792 1.00 0.00 H new ATOM 285 N ALA A 19 84.032 -12.142 -31.868 1.00 0.00 N ATOM 286 CA ALA A 19 85.082 -12.151 -32.881 1.00 0.00 C ATOM 287 C ALA A 19 85.974 -13.376 -32.713 1.00 0.00 C ATOM 288 O ALA A 19 86.761 -13.709 -33.599 1.00 0.00 O ATOM 289 CB ALA A 19 85.928 -10.881 -32.768 1.00 0.00 C ATOM 0 H ALA A 19 83.955 -11.272 -31.342 1.00 0.00 H new ATOM 0 HA ALA A 19 84.614 -12.188 -33.865 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.710 -10.896 -33.528 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.294 -10.007 -32.917 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.384 -10.834 -31.779 1.00 0.00 H new ATOM 295 N ASN A 20 85.846 -14.043 -31.570 1.00 0.00 N ATOM 296 CA ASN A 20 86.655 -15.224 -31.292 1.00 0.00 C ATOM 297 C ASN A 20 85.983 -16.478 -31.842 1.00 0.00 C ATOM 298 O ASN A 20 86.623 -17.518 -32.001 1.00 0.00 O ATOM 299 CB ASN A 20 86.860 -15.373 -29.783 1.00 0.00 C ATOM 300 CG ASN A 20 87.365 -14.061 -29.193 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.209 -13.394 -29.792 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.896 -13.648 -28.047 1.00 0.00 N ATOM 0 H ASN A 20 85.195 -13.788 -30.827 1.00 0.00 H new ATOM 0 HA ASN A 20 87.622 -15.101 -31.780 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.922 -15.658 -29.307 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.575 -16.171 -29.582 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.229 -12.771 -27.646 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.197 -14.202 -27.553 1.00 0.00 H new ATOM 309 N GLN A 21 84.690 -16.372 -32.131 1.00 0.00 N ATOM 310 CA GLN A 21 83.933 -17.515 -32.629 1.00 0.00 C ATOM 311 C GLN A 21 84.221 -17.745 -34.110 1.00 0.00 C ATOM 312 O GLN A 21 84.519 -18.863 -34.527 1.00 0.00 O ATOM 313 CB GLN A 21 82.435 -17.278 -32.429 1.00 0.00 C ATOM 314 CG GLN A 21 81.768 -18.579 -31.977 1.00 0.00 C ATOM 315 CD GLN A 21 81.886 -19.632 -33.073 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.864 -19.302 -34.259 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.012 -20.890 -32.745 1.00 0.00 N ATOM 0 H GLN A 21 84.148 -15.514 -32.030 1.00 0.00 H new ATOM 0 HA GLN A 21 84.238 -18.399 -32.070 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.276 -16.498 -31.685 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.984 -16.929 -33.358 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.238 -18.940 -31.062 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.718 -18.398 -31.746 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.030 -21.161 -31.762 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.092 -21.601 -33.472 1.00 0.00 H new ATOM 326 N CYS A 22 84.130 -16.678 -34.897 1.00 0.00 N ATOM 327 CA CYS A 22 84.366 -16.779 -36.333 1.00 0.00 C ATOM 328 C CYS A 22 85.673 -17.515 -36.610 1.00 0.00 C ATOM 329 O CYS A 22 85.680 -18.567 -37.250 1.00 0.00 O ATOM 330 CB CYS A 22 84.424 -15.382 -36.953 1.00 0.00 C ATOM 331 SG CYS A 22 82.749 -14.712 -37.091 1.00 0.00 S ATOM 0 H CYS A 22 83.897 -15.741 -34.569 1.00 0.00 H new ATOM 0 HA CYS A 22 83.544 -17.340 -36.779 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.040 -14.725 -36.339 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.891 -15.428 -37.937 1.00 0.00 H new ATOM 336 N ASN A 23 86.776 -16.957 -36.124 1.00 0.00 N ATOM 337 CA ASN A 23 88.084 -17.569 -36.327 1.00 0.00 C ATOM 338 C ASN A 23 88.023 -19.068 -36.051 1.00 0.00 C ATOM 339 O ASN A 23 88.484 -19.876 -36.858 1.00 0.00 O ATOM 340 CB ASN A 23 89.113 -16.920 -35.399 1.00 0.00 C ATOM 341 CG ASN A 23 88.736 -15.466 -35.139 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.971 -14.876 -35.901 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.231 -14.850 -34.100 1.00 0.00 N ATOM 0 H ASN A 23 86.791 -16.088 -35.590 1.00 0.00 H new ATOM 0 HA ASN A 23 88.380 -17.414 -37.364 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.161 -17.466 -34.457 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.105 -16.972 -35.849 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.984 -13.877 -33.918 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.865 -15.341 -33.470 1.00 0.00 H new ATOM 350 N TYR A 24 87.453 -19.432 -34.908 1.00 0.00 N ATOM 351 CA TYR A 24 87.320 -20.838 -34.546 1.00 0.00 C ATOM 352 C TYR A 24 86.622 -21.616 -35.657 1.00 0.00 C ATOM 353 O TYR A 24 87.186 -22.554 -36.220 1.00 0.00 O ATOM 354 CB TYR A 24 86.522 -20.969 -33.247 1.00 0.00 C ATOM 355 CG TYR A 24 87.469 -20.973 -32.071 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.320 -19.883 -31.855 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.496 -22.066 -31.197 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.199 -19.886 -30.766 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.374 -22.069 -30.107 1.00 0.00 C ATOM 360 CZ TYR A 24 89.226 -20.979 -29.891 1.00 0.00 C ATOM 361 OH TYR A 24 90.091 -20.982 -28.816 1.00 0.00 O ATOM 0 H TYR A 24 87.078 -18.778 -34.221 1.00 0.00 H new ATOM 0 HA TYR A 24 88.318 -21.252 -34.402 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.817 -20.143 -33.156 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.936 -21.888 -33.259 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.298 -19.039 -32.529 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.839 -22.907 -31.364 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.857 -19.045 -30.600 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.394 -22.912 -29.432 1.00 0.00 H new ATOM 0 HH TYR A 24 89.981 -21.814 -28.310 1.00 0.00 H new ATOM 371 N ASP A 25 85.392 -21.219 -35.967 1.00 0.00 N ATOM 372 CA ASP A 25 84.630 -21.880 -37.021 1.00 0.00 C ATOM 373 C ASP A 25 85.333 -21.731 -38.367 1.00 0.00 C ATOM 374 O ASP A 25 85.417 -22.683 -39.142 1.00 0.00 O ATOM 375 CB ASP A 25 83.227 -21.277 -37.108 1.00 0.00 C ATOM 376 CG ASP A 25 82.447 -21.583 -35.834 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.970 -22.308 -35.003 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.339 -21.090 -35.707 1.00 0.00 O ATOM 0 H ASP A 25 84.905 -20.449 -35.508 1.00 0.00 H new ATOM 0 HA ASP A 25 84.556 -22.940 -36.778 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.294 -20.199 -37.253 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.701 -21.683 -37.972 1.00 0.00 H new ATOM 383 N CYS A 26 85.835 -20.531 -38.637 1.00 0.00 N ATOM 384 CA CYS A 26 86.526 -20.268 -39.894 1.00 0.00 C ATOM 385 C CYS A 26 87.786 -21.122 -40.004 1.00 0.00 C ATOM 386 O CYS A 26 88.157 -21.559 -41.094 1.00 0.00 O ATOM 387 CB CYS A 26 86.901 -18.788 -39.984 1.00 0.00 C ATOM 388 SG CYS A 26 86.215 -18.084 -41.503 1.00 0.00 S ATOM 0 H CYS A 26 85.777 -19.730 -38.008 1.00 0.00 H new ATOM 0 HA CYS A 26 85.856 -20.524 -40.715 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.518 -18.251 -39.116 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.985 -18.675 -39.975 1.00 0.00 H new ATOM 393 N LYS A 27 88.438 -21.355 -38.870 1.00 0.00 N ATOM 394 CA LYS A 27 89.656 -22.157 -38.852 1.00 0.00 C ATOM 395 C LYS A 27 89.318 -23.644 -38.889 1.00 0.00 C ATOM 396 O LYS A 27 90.039 -24.440 -39.491 1.00 0.00 O ATOM 397 CB LYS A 27 90.467 -21.847 -37.594 1.00 0.00 C ATOM 398 CG LYS A 27 91.057 -20.439 -37.700 1.00 0.00 C ATOM 399 CD LYS A 27 91.338 -19.895 -36.298 1.00 0.00 C ATOM 400 CE LYS A 27 92.448 -20.717 -35.643 1.00 0.00 C ATOM 401 NZ LYS A 27 93.636 -20.754 -36.543 1.00 0.00 N ATOM 0 H LYS A 27 88.147 -21.003 -37.958 1.00 0.00 H new ATOM 0 HA LYS A 27 90.246 -21.908 -39.734 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.831 -21.921 -36.712 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.266 -22.579 -37.474 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.977 -20.462 -38.284 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.364 -19.781 -38.224 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.633 -18.847 -36.356 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.433 -19.938 -35.692 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.720 -20.280 -34.682 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.097 -21.730 -35.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.503 -20.800 -35.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.581 -21.592 -37.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.653 -19.896 -37.130 1.00 0.00 H new ATOM 415 N LEU A 28 88.216 -24.012 -38.242 1.00 0.00 N ATOM 416 CA LEU A 28 87.804 -25.410 -38.190 1.00 0.00 C ATOM 417 C LEU A 28 87.005 -25.779 -39.436 1.00 0.00 C ATOM 418 O LEU A 28 86.951 -26.945 -39.827 1.00 0.00 O ATOM 419 CB LEU A 28 86.952 -25.656 -36.943 1.00 0.00 C ATOM 420 CG LEU A 28 87.764 -25.306 -35.694 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.814 -24.984 -34.540 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.645 -26.498 -35.310 1.00 0.00 C ATOM 0 H LEU A 28 87.597 -23.367 -37.750 1.00 0.00 H new ATOM 0 HA LEU A 28 88.698 -26.033 -38.148 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.047 -25.050 -36.983 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.637 -26.699 -36.905 1.00 0.00 H new ATOM 0 HG LEU A 28 88.392 -24.439 -35.900 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.393 -24.735 -33.651 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.185 -24.137 -34.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.186 -25.851 -34.333 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.224 -26.251 -34.420 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.016 -27.364 -35.104 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.323 -26.729 -36.132 1.00 0.00 H new ATOM 434 N ASP A 29 86.389 -24.777 -40.056 1.00 0.00 N ATOM 435 CA ASP A 29 85.540 -25.017 -41.217 1.00 0.00 C ATOM 436 C ASP A 29 86.357 -24.936 -42.503 1.00 0.00 C ATOM 437 O ASP A 29 86.468 -25.915 -43.242 1.00 0.00 O ATOM 438 CB ASP A 29 84.412 -23.986 -41.262 1.00 0.00 C ATOM 439 CG ASP A 29 83.495 -24.162 -40.056 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.750 -25.060 -39.270 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.554 -23.395 -39.934 1.00 0.00 O ATOM 0 H ASP A 29 86.461 -23.799 -39.776 1.00 0.00 H new ATOM 0 HA ASP A 29 85.114 -26.017 -41.132 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.829 -22.979 -41.268 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.841 -24.100 -42.183 1.00 0.00 H new ATOM 446 N LYS A 30 86.928 -23.765 -42.762 1.00 0.00 N ATOM 447 CA LYS A 30 87.665 -23.542 -43.999 1.00 0.00 C ATOM 448 C LYS A 30 89.155 -23.380 -43.713 1.00 0.00 C ATOM 449 O LYS A 30 89.962 -23.241 -44.632 1.00 0.00 O ATOM 450 CB LYS A 30 87.138 -22.290 -44.704 1.00 0.00 C ATOM 451 CG LYS A 30 85.613 -22.242 -44.589 1.00 0.00 C ATOM 452 CD LYS A 30 85.008 -23.451 -45.307 1.00 0.00 C ATOM 453 CE LYS A 30 83.492 -23.275 -45.414 1.00 0.00 C ATOM 454 NZ LYS A 30 82.912 -24.421 -46.171 1.00 0.00 N ATOM 0 H LYS A 30 86.895 -22.960 -42.136 1.00 0.00 H new ATOM 0 HA LYS A 30 87.523 -24.408 -44.646 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.575 -21.397 -44.257 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.434 -22.299 -45.753 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.317 -22.243 -43.540 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.234 -21.319 -45.027 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.444 -23.553 -46.301 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.241 -24.365 -44.761 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.050 -23.221 -44.419 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.258 -22.337 -45.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.881 -24.303 -46.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.326 -24.452 -47.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.124 -25.309 -45.673 1.00 0.00 H new ATOM 468 N HIS A 31 89.512 -23.398 -42.433 1.00 0.00 N ATOM 469 CA HIS A 31 90.907 -23.259 -42.035 1.00 0.00 C ATOM 470 C HIS A 31 91.424 -21.862 -42.363 1.00 0.00 C ATOM 471 O HIS A 31 92.372 -21.705 -43.133 1.00 0.00 O ATOM 472 CB HIS A 31 91.763 -24.302 -42.758 1.00 0.00 C ATOM 473 CG HIS A 31 91.034 -25.616 -42.786 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.151 -26.550 -41.768 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.174 -26.170 -43.703 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.382 -27.604 -42.093 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.764 -27.424 -43.263 1.00 0.00 N ATOM 0 H HIS A 31 88.858 -23.507 -41.658 1.00 0.00 H new ATOM 0 HA HIS A 31 90.973 -23.415 -40.958 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.977 -23.971 -43.774 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.721 -24.416 -42.251 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.863 -25.703 -44.626 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.277 -28.488 -41.482 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.128 -28.068 -43.733 1.00 0.00 H new ATOM 485 N ALA A 32 90.794 -20.850 -41.775 1.00 0.00 N ATOM 486 CA ALA A 32 91.202 -19.470 -42.009 1.00 0.00 C ATOM 487 C ALA A 32 92.290 -19.057 -41.023 1.00 0.00 C ATOM 488 O ALA A 32 92.892 -19.901 -40.359 1.00 0.00 O ATOM 489 CB ALA A 32 89.999 -18.536 -41.864 1.00 0.00 C ATOM 0 H ALA A 32 90.005 -20.958 -41.138 1.00 0.00 H new ATOM 0 HA ALA A 32 91.598 -19.397 -43.022 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.314 -17.507 -42.041 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.235 -18.812 -42.591 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.590 -18.623 -40.857 1.00 0.00 H new ATOM 495 N ARG A 33 92.537 -17.754 -40.933 1.00 0.00 N ATOM 496 CA ARG A 33 93.562 -17.242 -40.031 1.00 0.00 C ATOM 497 C ARG A 33 92.937 -16.353 -38.960 1.00 0.00 C ATOM 498 O ARG A 33 93.236 -16.492 -37.774 1.00 0.00 O ATOM 499 CB ARG A 33 94.599 -16.441 -40.821 1.00 0.00 C ATOM 500 CG ARG A 33 95.273 -17.352 -41.848 1.00 0.00 C ATOM 501 CD ARG A 33 96.371 -16.575 -42.576 1.00 0.00 C ATOM 502 NE ARG A 33 96.848 -17.333 -43.727 1.00 0.00 N ATOM 503 CZ ARG A 33 97.732 -18.315 -43.584 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.191 -18.613 -42.399 1.00 0.00 N ATOM 505 NH2 ARG A 33 98.143 -18.980 -44.629 1.00 0.00 N ATOM 0 H ARG A 33 92.046 -17.039 -41.469 1.00 0.00 H new ATOM 0 HA ARG A 33 94.049 -18.088 -39.546 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.119 -15.601 -41.324 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.345 -16.024 -40.144 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.698 -18.225 -41.352 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.537 -17.719 -42.563 1.00 0.00 H new ATOM 0 HD2 ARG A 33 95.987 -15.608 -42.902 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.198 -16.376 -41.895 1.00 0.00 H new ATOM 0 HE ARG A 33 96.497 -17.106 -44.657 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.871 -18.092 -41.582 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.869 -19.367 -42.290 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.786 -18.746 -45.555 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.821 -19.734 -44.519 1.00 0.00 H new ATOM 519 N SER A 34 92.071 -15.441 -39.386 1.00 0.00 N ATOM 520 CA SER A 34 91.451 -14.500 -38.461 1.00 0.00 C ATOM 521 C SER A 34 89.931 -14.594 -38.535 1.00 0.00 C ATOM 522 O SER A 34 89.223 -14.044 -37.692 1.00 0.00 O ATOM 523 CB SER A 34 91.892 -13.075 -38.794 1.00 0.00 C ATOM 524 OG SER A 34 93.241 -12.892 -38.385 1.00 0.00 O ATOM 0 H SER A 34 91.784 -15.333 -40.359 1.00 0.00 H new ATOM 0 HA SER A 34 91.769 -14.753 -37.450 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.797 -12.894 -39.865 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.247 -12.355 -38.290 1.00 0.00 H new ATOM 0 HG SER A 34 93.527 -11.979 -38.599 1.00 0.00 H new ATOM 530 N GLY A 35 89.435 -15.296 -39.550 1.00 0.00 N ATOM 531 CA GLY A 35 87.997 -15.445 -39.731 1.00 0.00 C ATOM 532 C GLY A 35 87.262 -14.173 -39.322 1.00 0.00 C ATOM 533 O GLY A 35 86.522 -14.160 -38.338 1.00 0.00 O ATOM 0 H GLY A 35 90.004 -15.767 -40.254 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.780 -15.676 -40.774 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.637 -16.285 -39.137 1.00 0.00 H new ATOM 537 N GLU A 36 87.473 -13.104 -40.083 1.00 0.00 N ATOM 538 CA GLU A 36 86.861 -11.819 -39.764 1.00 0.00 C ATOM 539 C GLU A 36 85.439 -11.752 -40.312 1.00 0.00 C ATOM 540 O GLU A 36 85.146 -12.305 -41.372 1.00 0.00 O ATOM 541 CB GLU A 36 87.693 -10.681 -40.359 1.00 0.00 C ATOM 542 CG GLU A 36 88.864 -10.363 -39.427 1.00 0.00 C ATOM 543 CD GLU A 36 88.352 -9.700 -38.153 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.224 -9.235 -38.163 1.00 0.00 O ATOM 545 OE2 GLU A 36 89.095 -9.667 -37.185 1.00 0.00 O ATOM 0 H GLU A 36 88.058 -13.101 -40.918 1.00 0.00 H new ATOM 0 HA GLU A 36 86.826 -11.714 -38.680 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.065 -10.965 -41.344 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.072 -9.795 -40.496 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.401 -11.278 -39.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.572 -9.704 -39.930 1.00 0.00 H new ATOM 552 N CYS A 37 84.561 -11.074 -39.581 1.00 0.00 N ATOM 553 CA CYS A 37 83.173 -10.936 -40.006 1.00 0.00 C ATOM 554 C CYS A 37 82.996 -9.687 -40.863 1.00 0.00 C ATOM 555 O CYS A 37 83.768 -8.734 -40.757 1.00 0.00 O ATOM 556 CB CYS A 37 82.197 -10.773 -38.802 1.00 0.00 C ATOM 557 SG CYS A 37 81.482 -12.348 -38.267 1.00 0.00 S ATOM 0 H CYS A 37 84.783 -10.615 -38.698 1.00 0.00 H new ATOM 0 HA CYS A 37 82.943 -11.847 -40.558 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.729 -10.317 -37.967 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.395 -10.090 -39.080 1.00 0.00 H new ATOM 562 N PHE A 38 81.973 -9.699 -41.712 1.00 0.00 N ATOM 563 CA PHE A 38 81.680 -8.547 -42.557 1.00 0.00 C ATOM 564 C PHE A 38 80.178 -8.429 -42.799 1.00 0.00 C ATOM 565 O PHE A 38 79.420 -9.358 -42.517 1.00 0.00 O ATOM 566 CB PHE A 38 82.405 -8.684 -43.897 1.00 0.00 C ATOM 567 CG PHE A 38 83.896 -8.601 -43.674 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.616 -9.752 -43.329 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.559 -7.377 -43.810 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.998 -9.677 -43.122 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.941 -7.301 -43.603 1.00 0.00 C ATOM 572 CZ PHE A 38 86.661 -8.451 -43.259 1.00 0.00 C ATOM 0 H PHE A 38 81.337 -10.488 -41.833 1.00 0.00 H new ATOM 0 HA PHE A 38 82.027 -7.648 -42.047 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.149 -9.634 -44.365 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.084 -7.896 -44.578 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.105 -10.697 -43.223 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.004 -6.489 -44.075 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.553 -10.565 -42.857 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.452 -6.355 -43.709 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.728 -8.393 -43.099 1.00 0.00 H new ATOM 582 N TYR A 39 79.756 -7.283 -43.322 1.00 0.00 N ATOM 583 CA TYR A 39 78.342 -7.054 -43.594 1.00 0.00 C ATOM 584 C TYR A 39 78.011 -7.406 -45.041 1.00 0.00 C ATOM 585 O TYR A 39 78.629 -6.891 -45.972 1.00 0.00 O ATOM 586 CB TYR A 39 77.989 -5.589 -43.329 1.00 0.00 C ATOM 587 CG TYR A 39 77.974 -5.337 -41.841 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.793 -5.520 -41.111 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.141 -4.920 -41.190 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.779 -5.287 -39.732 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.127 -4.686 -39.809 1.00 0.00 C ATOM 592 CZ TYR A 39 77.946 -4.870 -39.080 1.00 0.00 C ATOM 593 OH TYR A 39 77.932 -4.641 -37.720 1.00 0.00 O ATOM 0 H TYR A 39 80.368 -6.504 -43.565 1.00 0.00 H new ATOM 0 HA TYR A 39 77.756 -7.693 -42.933 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.715 -4.936 -43.812 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.015 -5.355 -43.758 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.892 -5.841 -41.613 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.052 -4.779 -41.752 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.868 -5.429 -39.170 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.027 -4.364 -39.307 1.00 0.00 H new ATOM 0 HH TYR A 39 78.823 -4.359 -37.427 1.00 0.00 H new ATOM 603 N ASP A 40 77.033 -8.288 -45.221 1.00 0.00 N ATOM 604 CA ASP A 40 76.625 -8.698 -46.560 1.00 0.00 C ATOM 605 C ASP A 40 75.319 -8.015 -46.956 1.00 0.00 C ATOM 606 O ASP A 40 74.958 -6.977 -46.405 1.00 0.00 O ATOM 607 CB ASP A 40 76.443 -10.217 -46.607 1.00 0.00 C ATOM 608 CG ASP A 40 77.789 -10.909 -46.419 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.783 -10.209 -46.309 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.807 -12.128 -46.386 1.00 0.00 O ATOM 0 H ASP A 40 76.512 -8.729 -44.463 1.00 0.00 H new ATOM 0 HA ASP A 40 77.404 -8.402 -47.263 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.750 -10.533 -45.827 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.004 -10.510 -47.561 1.00 0.00 H new ATOM 615 N GLU A 41 74.617 -8.608 -47.917 1.00 0.00 N ATOM 616 CA GLU A 41 73.355 -8.044 -48.385 1.00 0.00 C ATOM 617 C GLU A 41 72.314 -8.063 -47.270 1.00 0.00 C ATOM 618 O GLU A 41 71.356 -7.290 -47.290 1.00 0.00 O ATOM 619 CB GLU A 41 72.839 -8.843 -49.583 1.00 0.00 C ATOM 620 CG GLU A 41 73.843 -8.748 -50.732 1.00 0.00 C ATOM 621 CD GLU A 41 73.926 -7.311 -51.236 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.018 -6.549 -50.943 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.894 -6.993 -51.907 1.00 0.00 O ATOM 0 H GLU A 41 74.897 -9.471 -48.383 1.00 0.00 H new ATOM 0 HA GLU A 41 73.529 -7.011 -48.686 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.691 -9.885 -49.301 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.870 -8.458 -49.900 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.825 -9.081 -50.396 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.542 -9.410 -51.544 1.00 0.00 H new ATOM 630 N LYS A 42 72.508 -8.951 -46.301 1.00 0.00 N ATOM 631 CA LYS A 42 71.575 -9.065 -45.185 1.00 0.00 C ATOM 632 C LYS A 42 72.094 -8.299 -43.973 1.00 0.00 C ATOM 633 O LYS A 42 71.672 -8.546 -42.843 1.00 0.00 O ATOM 634 CB LYS A 42 71.381 -10.537 -44.816 1.00 0.00 C ATOM 635 CG LYS A 42 70.798 -11.292 -46.013 1.00 0.00 C ATOM 636 CD LYS A 42 70.807 -12.793 -45.724 1.00 0.00 C ATOM 637 CE LYS A 42 69.940 -13.083 -44.497 1.00 0.00 C ATOM 638 NZ LYS A 42 70.752 -12.894 -43.260 1.00 0.00 N ATOM 0 H LYS A 42 73.296 -9.598 -46.265 1.00 0.00 H new ATOM 0 HA LYS A 42 70.619 -8.637 -45.489 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.334 -10.978 -44.524 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.714 -10.623 -43.958 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.780 -10.955 -46.208 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.381 -11.080 -46.909 1.00 0.00 H new ATOM 0 HD2 LYS A 42 70.430 -13.342 -46.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 71.827 -13.134 -45.550 1.00 0.00 H new ATOM 0 HE2 LYS A 42 69.076 -12.418 -44.483 1.00 0.00 H new ATOM 0 HE3 LYS A 42 69.557 -14.103 -44.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 70.743 -13.771 -42.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 71.731 -12.659 -43.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 70.348 -12.120 -42.695 1.00 0.00 H new ATOM 652 N ARG A 43 73.012 -7.369 -44.216 1.00 0.00 N ATOM 653 CA ARG A 43 73.591 -6.581 -43.134 1.00 0.00 C ATOM 654 C ARG A 43 73.911 -7.470 -41.935 1.00 0.00 C ATOM 655 O ARG A 43 73.998 -6.995 -40.803 1.00 0.00 O ATOM 656 CB ARG A 43 72.618 -5.481 -42.709 1.00 0.00 C ATOM 657 CG ARG A 43 72.718 -4.305 -43.684 1.00 0.00 C ATOM 658 CD ARG A 43 71.446 -3.461 -43.600 1.00 0.00 C ATOM 659 NE ARG A 43 70.278 -4.275 -43.919 1.00 0.00 N ATOM 660 CZ ARG A 43 69.877 -4.438 -45.176 1.00 0.00 C ATOM 661 NH1 ARG A 43 70.529 -3.864 -46.148 1.00 0.00 N ATOM 662 NH2 ARG A 43 68.828 -5.171 -45.436 1.00 0.00 N ATOM 0 H ARG A 43 73.369 -7.144 -45.145 1.00 0.00 H new ATOM 0 HA ARG A 43 74.515 -6.129 -43.495 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.599 -5.868 -42.693 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.848 -5.148 -41.697 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.589 -3.694 -43.445 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.856 -4.673 -44.701 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.344 -3.043 -42.599 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.512 -2.621 -44.291 1.00 0.00 H new ATOM 0 HE ARG A 43 69.760 -4.727 -43.165 1.00 0.00 H new ATOM 0 HH11 ARG A 43 71.347 -3.290 -45.944 1.00 0.00 H new ATOM 0 HH12 ARG A 43 70.221 -3.989 -47.112 1.00 0.00 H new ATOM 0 HH21 ARG A 43 68.317 -5.618 -44.675 1.00 0.00 H new ATOM 0 HH22 ARG A 43 68.520 -5.296 -46.400 1.00 0.00 H new ATOM 676 N ASN A 44 74.084 -8.763 -42.194 1.00 0.00 N ATOM 677 CA ASN A 44 74.402 -9.708 -41.130 1.00 0.00 C ATOM 678 C ASN A 44 75.906 -9.954 -41.064 1.00 0.00 C ATOM 679 O ASN A 44 76.607 -9.850 -42.072 1.00 0.00 O ATOM 680 CB ASN A 44 73.676 -11.033 -41.375 1.00 0.00 C ATOM 681 CG ASN A 44 72.208 -10.904 -40.982 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.766 -9.830 -40.574 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.422 -11.941 -41.081 1.00 0.00 N ATOM 0 H ASN A 44 74.010 -9.177 -43.123 1.00 0.00 H new ATOM 0 HA ASN A 44 74.073 -9.283 -40.181 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.757 -11.312 -42.425 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.147 -11.828 -40.797 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.439 -11.863 -40.820 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.791 -12.830 -41.419 1.00 0.00 H new ATOM 690 N LEU A 45 76.396 -10.282 -39.873 1.00 0.00 N ATOM 691 CA LEU A 45 77.817 -10.556 -39.691 1.00 0.00 C ATOM 692 C LEU A 45 78.140 -11.994 -40.084 1.00 0.00 C ATOM 693 O LEU A 45 77.727 -12.939 -39.413 1.00 0.00 O ATOM 694 CB LEU A 45 78.211 -10.324 -38.231 1.00 0.00 C ATOM 695 CG LEU A 45 77.394 -9.164 -37.659 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.792 -8.928 -36.201 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.672 -7.898 -38.474 1.00 0.00 C ATOM 0 H LEU A 45 75.835 -10.364 -39.025 1.00 0.00 H new ATOM 0 HA LEU A 45 78.383 -9.880 -40.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.036 -11.228 -37.648 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.276 -10.102 -38.162 1.00 0.00 H new ATOM 0 HG LEU A 45 76.333 -9.406 -37.710 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.210 -8.101 -35.794 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.597 -9.830 -35.620 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.853 -8.685 -36.148 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.091 -7.070 -38.069 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.734 -7.657 -38.421 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.389 -8.065 -39.513 1.00 0.00 H new ATOM 709 N GLN A 46 78.882 -12.150 -41.176 1.00 0.00 N ATOM 710 CA GLN A 46 79.242 -13.477 -41.660 1.00 0.00 C ATOM 711 C GLN A 46 80.741 -13.714 -41.505 1.00 0.00 C ATOM 712 O GLN A 46 81.556 -12.970 -42.048 1.00 0.00 O ATOM 713 CB GLN A 46 78.850 -13.621 -43.132 1.00 0.00 C ATOM 714 CG GLN A 46 77.390 -13.206 -43.315 1.00 0.00 C ATOM 715 CD GLN A 46 76.468 -14.258 -42.705 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.939 -15.272 -42.191 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.177 -14.075 -42.733 1.00 0.00 N ATOM 0 H GLN A 46 79.243 -11.380 -41.739 1.00 0.00 H new ATOM 0 HA GLN A 46 78.705 -14.218 -41.068 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.496 -13.001 -43.753 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.989 -14.652 -43.457 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.216 -12.240 -42.842 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.167 -13.086 -44.375 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.790 -13.233 -43.160 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.554 -14.774 -42.328 1.00 0.00 H new ATOM 726 N CYS A 47 81.097 -14.756 -40.760 1.00 0.00 N ATOM 727 CA CYS A 47 82.501 -15.097 -40.564 1.00 0.00 C ATOM 728 C CYS A 47 83.171 -15.399 -41.901 1.00 0.00 C ATOM 729 O CYS A 47 82.868 -16.402 -42.547 1.00 0.00 O ATOM 730 CB CYS A 47 82.658 -16.322 -39.651 1.00 0.00 C ATOM 731 SG CYS A 47 81.729 -16.128 -38.109 1.00 0.00 S ATOM 0 H CYS A 47 80.439 -15.374 -40.286 1.00 0.00 H new ATOM 0 HA CYS A 47 82.977 -14.237 -40.094 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.313 -17.213 -40.175 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.713 -16.474 -39.424 1.00 0.00 H new ATOM 736 N ILE A 48 84.083 -14.524 -42.311 1.00 0.00 N ATOM 737 CA ILE A 48 84.775 -14.695 -43.583 1.00 0.00 C ATOM 738 C ILE A 48 86.186 -15.229 -43.359 1.00 0.00 C ATOM 739 O ILE A 48 87.014 -14.574 -42.726 1.00 0.00 O ATOM 740 CB ILE A 48 84.845 -13.359 -44.324 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.428 -12.889 -44.661 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.645 -13.532 -45.617 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.491 -11.818 -45.752 1.00 0.00 C ATOM 0 H ILE A 48 84.359 -13.695 -41.785 1.00 0.00 H new ATOM 0 HA ILE A 48 84.218 -15.414 -44.183 1.00 0.00 H new ATOM 0 HB ILE A 48 85.334 -12.618 -43.691 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.825 -13.732 -44.998 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.945 -12.488 -43.770 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.694 -12.579 -46.145 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.654 -13.867 -45.378 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.157 -14.273 -46.251 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.482 -11.483 -45.992 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.079 -10.972 -45.397 1.00 0.00 H new ATOM 0 HD13 ILE A 48 83.957 -12.235 -46.645 1.00 0.00 H new ATOM 755 N CYS A 49 86.452 -16.421 -43.882 1.00 0.00 N ATOM 756 CA CYS A 49 87.777 -17.019 -43.760 1.00 0.00 C ATOM 757 C CYS A 49 88.758 -16.347 -44.716 1.00 0.00 C ATOM 758 O CYS A 49 88.567 -16.369 -45.932 1.00 0.00 O ATOM 759 CB CYS A 49 87.695 -18.499 -44.107 1.00 0.00 C ATOM 760 SG CYS A 49 86.685 -19.433 -42.931 1.00 0.00 S ATOM 0 H CYS A 49 85.774 -16.989 -44.391 1.00 0.00 H new ATOM 0 HA CYS A 49 88.125 -16.886 -42.736 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.278 -18.611 -45.108 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.700 -18.919 -44.131 1.00 0.00 H new ATOM 765 N ASP A 50 89.806 -15.751 -44.159 1.00 0.00 N ATOM 766 CA ASP A 50 90.788 -15.040 -44.969 1.00 0.00 C ATOM 767 C ASP A 50 92.152 -15.714 -44.873 1.00 0.00 C ATOM 768 O ASP A 50 92.774 -15.732 -43.811 1.00 0.00 O ATOM 769 CB ASP A 50 90.901 -13.589 -44.498 1.00 0.00 C ATOM 770 CG ASP A 50 89.512 -13.015 -44.237 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.548 -13.730 -44.452 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.433 -11.868 -43.829 1.00 0.00 O ATOM 0 H ASP A 50 89.997 -15.746 -43.157 1.00 0.00 H new ATOM 0 HA ASP A 50 90.457 -15.061 -46.007 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.501 -13.539 -43.589 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.414 -12.992 -45.252 1.00 0.00 H new ATOM 777 N TYR A 51 92.612 -16.269 -45.990 1.00 0.00 N ATOM 778 CA TYR A 51 93.928 -16.892 -46.035 1.00 0.00 C ATOM 779 C TYR A 51 94.901 -16.031 -46.835 1.00 0.00 C ATOM 780 O TYR A 51 95.421 -16.459 -47.866 1.00 0.00 O ATOM 781 CB TYR A 51 93.826 -18.279 -46.672 1.00 0.00 C ATOM 782 CG TYR A 51 92.415 -18.796 -46.528 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.404 -18.319 -47.373 1.00 0.00 C ATOM 784 CD2 TYR A 51 92.115 -19.750 -45.548 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.095 -18.797 -47.238 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.806 -20.229 -45.414 1.00 0.00 C ATOM 787 CZ TYR A 51 89.797 -19.752 -46.259 1.00 0.00 C ATOM 788 OH TYR A 51 88.506 -20.224 -46.125 1.00 0.00 O ATOM 0 H TYR A 51 92.096 -16.300 -46.870 1.00 0.00 H new ATOM 0 HA TYR A 51 94.301 -16.988 -45.015 1.00 0.00 H new ATOM 0 HB2 TYR A 51 94.100 -18.228 -47.726 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.526 -18.963 -46.193 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.635 -17.583 -48.129 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.893 -20.117 -44.895 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.316 -18.429 -47.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.575 -20.966 -44.659 1.00 0.00 H new ATOM 0 HH TYR A 51 88.224 -20.647 -46.963 1.00 0.00 H new ATOM 798 N CYS A 52 95.141 -14.816 -46.354 1.00 0.00 N ATOM 799 CA CYS A 52 96.032 -13.892 -47.046 1.00 0.00 C ATOM 800 C CYS A 52 96.309 -12.666 -46.183 1.00 0.00 C ATOM 801 O CYS A 52 96.000 -12.650 -44.992 1.00 0.00 O ATOM 802 CB CYS A 52 95.404 -13.455 -48.371 1.00 0.00 C ATOM 803 SG CYS A 52 95.753 -14.695 -49.642 1.00 0.00 S ATOM 0 H CYS A 52 94.734 -14.450 -45.493 1.00 0.00 H new ATOM 0 HA CYS A 52 96.974 -14.404 -47.242 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.327 -13.333 -48.253 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.803 -12.487 -48.673 1.00 0.00 H new ATOM 808 N GLU A 53 96.891 -11.638 -46.793 1.00 0.00 N ATOM 809 CA GLU A 53 97.189 -10.405 -46.072 1.00 0.00 C ATOM 810 C GLU A 53 96.091 -9.371 -46.300 1.00 0.00 C ATOM 811 O GLU A 53 96.269 -8.419 -47.059 1.00 0.00 O ATOM 812 CB GLU A 53 98.531 -9.838 -46.542 1.00 0.00 C ATOM 813 CG GLU A 53 99.658 -10.791 -46.137 1.00 0.00 C ATOM 814 CD GLU A 53 101.005 -10.208 -46.546 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.009 -9.225 -47.269 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.015 -10.752 -46.130 1.00 0.00 O ATOM 0 H GLU A 53 97.164 -11.633 -47.776 1.00 0.00 H new ATOM 0 HA GLU A 53 97.242 -10.633 -45.007 1.00 0.00 H new ATOM 0 HB2 GLU A 53 98.523 -9.706 -47.624 1.00 0.00 H new ATOM 0 HB3 GLU A 53 98.696 -8.854 -46.102 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.636 -10.957 -45.060 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.513 -11.761 -46.612 1.00 0.00 H new ATOM 823 N TYR A 54 94.956 -9.567 -45.638 1.00 0.00 N ATOM 824 CA TYR A 54 93.836 -8.641 -45.769 1.00 0.00 C ATOM 825 C TYR A 54 94.329 -7.197 -45.739 1.00 0.00 C ATOM 826 CB TYR A 54 92.837 -8.864 -44.634 1.00 0.00 C ATOM 827 CG TYR A 54 93.581 -9.017 -43.330 1.00 0.00 C ATOM 828 CD1 TYR A 54 93.994 -10.284 -42.903 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.859 -7.889 -42.547 1.00 0.00 C ATOM 830 CE1 TYR A 54 94.684 -10.426 -41.693 1.00 0.00 C ATOM 831 CE2 TYR A 54 94.550 -8.031 -41.337 1.00 0.00 C ATOM 832 CZ TYR A 54 94.962 -9.298 -40.910 1.00 0.00 C ATOM 833 OH TYR A 54 95.643 -9.438 -39.718 1.00 0.00 O ATOM 0 H TYR A 54 94.787 -10.352 -45.010 1.00 0.00 H new ATOM 0 HA TYR A 54 93.346 -8.827 -46.725 1.00 0.00 H new ATOM 0 HB2 TYR A 54 92.146 -8.024 -44.574 1.00 0.00 H new ATOM 0 HB3 TYR A 54 92.240 -9.754 -44.831 1.00 0.00 H new ATOM 0 HD1 TYR A 54 93.780 -11.153 -43.507 1.00 0.00 H new ATOM 0 HD2 TYR A 54 93.541 -6.911 -42.876 1.00 0.00 H new ATOM 0 HE1 TYR A 54 95.002 -11.404 -41.364 1.00 0.00 H new ATOM 0 HE2 TYR A 54 94.765 -7.162 -40.733 1.00 0.00 H new ATOM 0 HH TYR A 54 95.754 -8.559 -39.300 1.00 0.00 H new TER 843 TYR A 54