USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.045) USER MOD Single : A 6 LYS NZ :NH3+ -137:sc= -0.0354 (180deg=-0.335) USER MOD Single : A 10 SER OG : rot -160:sc= 0.196 USER MOD Single : A 17 SER OG : rot -66:sc= 1.07 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.158) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.63) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -0.129 (180deg=-0.757) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.144 (180deg=-0.796) USER MOD Single : A 42 MET CE :methyl -166:sc= -0.878 (180deg=-1.54!) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.23 F(o=-1.8,f=-0.23) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.32 F(o=-2.3,f=-1.3) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0162) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.499 F(o=-6!,f=-0.5) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= -0.0231 (180deg=-0.0343) USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.129 (180deg=-0.702) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.145) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.039 (180deg=-0.371) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0294 (180deg=-0.371) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.508) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0374 (180deg=-0.366) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 0.61 (180deg=0.231) USER MOD Single : A 82 BME O1 : rot 28:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 2.325 -11.176 4.877 1.00 0.00 N ATOM 2 CA ASN A 3 1.718 -12.051 3.836 1.00 0.00 C ATOM 3 C ASN A 3 1.296 -11.260 2.586 1.00 0.00 C ATOM 4 O ASN A 3 0.154 -10.852 2.485 1.00 0.00 O ATOM 5 CB ASN A 3 0.509 -12.769 4.486 1.00 0.00 C ATOM 6 CG ASN A 3 -0.192 -13.660 3.451 1.00 0.00 C ATOM 7 OD1 ASN A 3 0.389 -14.569 2.892 1.00 0.00 O ATOM 8 ND2 ASN A 3 -1.446 -13.426 3.171 1.00 0.00 N ATOM 0 HA ASN A 3 2.454 -12.776 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.845 -13.372 5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.193 -12.033 4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.932 -14.005 2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.939 -12.664 3.637 1.00 0.00 H new ATOM 15 N ALA A 4 2.229 -11.054 1.683 1.00 0.00 N ATOM 16 CA ALA A 4 1.960 -10.300 0.413 1.00 0.00 C ATOM 17 C ALA A 4 1.689 -8.828 0.719 1.00 0.00 C ATOM 18 O ALA A 4 0.561 -8.441 0.959 1.00 0.00 O ATOM 19 CB ALA A 4 0.740 -10.925 -0.344 1.00 0.00 C ATOM 0 H ALA A 4 3.189 -11.385 1.776 1.00 0.00 H new ATOM 0 HA ALA A 4 2.841 -10.370 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.557 -10.367 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.957 -11.965 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.145 -10.878 0.291 1.00 0.00 H new ATOM 25 N PRO A 5 2.741 -8.034 0.711 1.00 0.00 N ATOM 26 CA PRO A 5 2.618 -6.559 0.828 1.00 0.00 C ATOM 27 C PRO A 5 1.811 -6.097 -0.386 1.00 0.00 C ATOM 28 O PRO A 5 2.245 -6.205 -1.516 1.00 0.00 O ATOM 29 CB PRO A 5 4.068 -6.059 0.868 1.00 0.00 C ATOM 30 CG PRO A 5 4.849 -7.303 1.363 1.00 0.00 C ATOM 31 CD PRO A 5 4.167 -8.454 0.606 1.00 0.00 C ATOM 0 HA PRO A 5 2.098 -6.179 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.410 -5.732 -0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.185 -5.213 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.911 -7.235 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.771 -7.427 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.503 -8.528 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.350 -9.423 1.071 1.00 0.00 H new ATOM 39 N LYS A 6 0.648 -5.596 -0.088 1.00 0.00 N ATOM 40 CA LYS A 6 -0.277 -5.096 -1.138 1.00 0.00 C ATOM 41 C LYS A 6 0.164 -3.658 -1.406 1.00 0.00 C ATOM 42 O LYS A 6 0.765 -3.027 -0.558 1.00 0.00 O ATOM 43 CB LYS A 6 -1.721 -5.127 -0.591 1.00 0.00 C ATOM 44 CG LYS A 6 -2.755 -5.341 -1.715 1.00 0.00 C ATOM 45 CD LYS A 6 -2.889 -6.861 -2.005 1.00 0.00 C ATOM 46 CE LYS A 6 -3.901 -7.100 -3.143 1.00 0.00 C ATOM 47 NZ LYS A 6 -5.230 -6.512 -2.797 1.00 0.00 N ATOM 0 H LYS A 6 0.291 -5.510 0.864 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.253 -5.697 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.814 -5.926 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.934 -4.191 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.720 -4.929 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.444 -4.813 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.918 -7.273 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.213 -7.383 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.530 -6.655 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.007 -8.170 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.984 -7.178 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.273 -6.329 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.360 -5.619 -3.314 1.00 0.00 H new ATOM 61 N ARG A 7 -0.154 -3.199 -2.585 1.00 0.00 N ATOM 62 CA ARG A 7 0.206 -1.816 -3.003 1.00 0.00 C ATOM 63 C ARG A 7 0.097 -0.729 -1.886 1.00 0.00 C ATOM 64 O ARG A 7 -1.000 -0.410 -1.474 1.00 0.00 O ATOM 65 CB ARG A 7 -0.695 -1.464 -4.221 1.00 0.00 C ATOM 66 CG ARG A 7 -0.550 0.032 -4.587 1.00 0.00 C ATOM 67 CD ARG A 7 -1.257 0.343 -5.913 1.00 0.00 C ATOM 68 NE ARG A 7 -1.329 1.832 -6.018 1.00 0.00 N ATOM 69 CZ ARG A 7 -0.633 2.478 -6.914 1.00 0.00 C ATOM 70 NH1 ARG A 7 -1.019 2.458 -8.161 1.00 0.00 N ATOM 71 NH2 ARG A 7 0.432 3.120 -6.524 1.00 0.00 N ATOM 0 H ARG A 7 -0.659 -3.736 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 7 1.266 -1.808 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.419 -2.082 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.736 -1.688 -3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.972 0.647 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.506 0.291 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.707 -0.079 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.255 -0.096 -5.933 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.931 2.352 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.857 1.941 -8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.483 2.959 -8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.703 3.109 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.995 3.633 -7.202 1.00 0.00 H new ATOM 85 N PRO A 8 1.218 -0.195 -1.427 1.00 0.00 N ATOM 86 CA PRO A 8 1.253 0.908 -0.413 1.00 0.00 C ATOM 87 C PRO A 8 0.669 2.241 -0.964 1.00 0.00 C ATOM 88 O PRO A 8 0.262 2.281 -2.108 1.00 0.00 O ATOM 89 CB PRO A 8 2.742 0.994 -0.034 1.00 0.00 C ATOM 90 CG PRO A 8 3.449 0.589 -1.339 1.00 0.00 C ATOM 91 CD PRO A 8 2.602 -0.594 -1.833 1.00 0.00 C ATOM 0 HA PRO A 8 0.623 0.713 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.022 1.999 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.990 0.321 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.464 1.405 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.485 0.299 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.685 -0.730 -2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.906 -1.532 -1.369 1.00 0.00 H new ATOM 99 N PRO A 9 0.636 3.275 -0.141 1.00 0.00 N ATOM 100 CA PRO A 9 0.340 4.692 -0.535 1.00 0.00 C ATOM 101 C PRO A 9 0.801 5.238 -1.907 1.00 0.00 C ATOM 102 O PRO A 9 1.350 4.533 -2.731 1.00 0.00 O ATOM 103 CB PRO A 9 0.905 5.489 0.643 1.00 0.00 C ATOM 104 CG PRO A 9 0.491 4.596 1.833 1.00 0.00 C ATOM 105 CD PRO A 9 0.886 3.192 1.336 1.00 0.00 C ATOM 0 HA PRO A 9 -0.731 4.780 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.986 5.612 0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.474 6.488 0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.017 4.867 2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.576 4.668 2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.929 2.964 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.284 2.414 1.804 1.00 0.00 H new ATOM 113 N SER A 10 0.553 6.515 -2.087 1.00 0.00 N ATOM 114 CA SER A 10 0.914 7.231 -3.355 1.00 0.00 C ATOM 115 C SER A 10 1.983 8.337 -3.211 1.00 0.00 C ATOM 116 O SER A 10 2.915 8.376 -3.989 1.00 0.00 O ATOM 117 CB SER A 10 -0.377 7.840 -3.943 1.00 0.00 C ATOM 118 OG SER A 10 -0.872 8.697 -2.924 1.00 0.00 O ATOM 0 H SER A 10 0.103 7.107 -1.388 1.00 0.00 H new ATOM 0 HA SER A 10 1.366 6.487 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.171 8.393 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.101 7.065 -4.194 1.00 0.00 H new ATOM 0 HG SER A 10 -1.824 8.872 -3.077 1.00 0.00 H new ATOM 124 N ALA A 11 1.790 9.173 -2.220 1.00 0.00 N ATOM 125 CA ALA A 11 2.653 10.353 -1.849 1.00 0.00 C ATOM 126 C ALA A 11 1.592 11.340 -1.371 1.00 0.00 C ATOM 127 O ALA A 11 1.674 11.969 -0.333 1.00 0.00 O ATOM 128 CB ALA A 11 3.356 10.964 -3.052 1.00 0.00 C ATOM 0 H ALA A 11 0.991 9.074 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 11 3.440 10.093 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.963 11.809 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.996 10.215 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.613 11.306 -3.772 1.00 0.00 H new ATOM 134 N PHE A 12 0.602 11.413 -2.223 1.00 0.00 N ATOM 135 CA PHE A 12 -0.581 12.264 -2.042 1.00 0.00 C ATOM 136 C PHE A 12 -1.180 11.749 -0.732 1.00 0.00 C ATOM 137 O PHE A 12 -1.520 12.526 0.125 1.00 0.00 O ATOM 138 CB PHE A 12 -1.450 12.013 -3.308 1.00 0.00 C ATOM 139 CG PHE A 12 -2.956 12.347 -3.256 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.606 12.902 -2.174 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.706 12.039 -4.377 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.951 13.144 -2.202 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.060 12.283 -4.404 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.686 12.837 -3.312 1.00 0.00 C ATOM 0 H PHE A 12 0.581 10.875 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.437 13.341 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.013 12.585 -4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.355 10.959 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.042 13.150 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.224 11.603 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.436 13.581 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.633 12.039 -5.286 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.749 13.028 -3.332 1.00 0.00 H new ATOM 154 N PHE A 13 -1.267 10.451 -0.608 1.00 0.00 N ATOM 155 CA PHE A 13 -1.846 9.823 0.616 1.00 0.00 C ATOM 156 C PHE A 13 -1.446 10.513 1.939 1.00 0.00 C ATOM 157 O PHE A 13 -2.287 10.783 2.771 1.00 0.00 O ATOM 158 CB PHE A 13 -1.426 8.342 0.675 1.00 0.00 C ATOM 159 CG PHE A 13 -2.556 7.584 1.400 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.766 7.398 0.752 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.403 7.100 2.686 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.809 6.742 1.369 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.448 6.438 3.305 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.649 6.258 2.648 1.00 0.00 C ATOM 0 H PHE A 13 -0.955 9.787 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.927 9.933 0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.275 7.943 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.482 8.229 1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.894 7.773 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.467 7.239 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.748 6.608 0.852 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.324 6.059 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.461 5.739 3.136 1.00 0.00 H new ATOM 174 N LEU A 14 -0.176 10.797 2.097 1.00 0.00 N ATOM 175 CA LEU A 14 0.277 11.459 3.355 1.00 0.00 C ATOM 176 C LEU A 14 -0.463 12.804 3.480 1.00 0.00 C ATOM 177 O LEU A 14 -1.220 13.061 4.397 1.00 0.00 O ATOM 178 CB LEU A 14 1.822 11.700 3.297 1.00 0.00 C ATOM 179 CG LEU A 14 2.741 10.432 3.113 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.324 9.215 3.965 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.932 10.023 1.636 1.00 0.00 C ATOM 0 H LEU A 14 0.558 10.601 1.416 1.00 0.00 H new ATOM 0 HA LEU A 14 0.058 10.829 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.026 12.388 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.120 12.203 4.217 1.00 0.00 H new ATOM 0 HG LEU A 14 3.707 10.762 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.009 8.388 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.358 9.482 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.311 8.915 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.574 9.144 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.963 9.792 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.394 10.844 1.088 1.00 0.00 H new ATOM 193 N PHE A 15 -0.203 13.623 2.507 1.00 0.00 N ATOM 194 CA PHE A 15 -0.805 14.980 2.405 1.00 0.00 C ATOM 195 C PHE A 15 -2.361 14.914 2.618 1.00 0.00 C ATOM 196 O PHE A 15 -2.925 15.671 3.385 1.00 0.00 O ATOM 197 CB PHE A 15 -0.272 15.443 1.013 1.00 0.00 C ATOM 198 CG PHE A 15 -1.157 16.348 0.174 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.171 17.727 0.291 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.949 15.736 -0.765 1.00 0.00 C ATOM 201 CE1 PHE A 15 -1.978 18.467 -0.545 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.745 16.473 -1.586 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.764 17.840 -1.483 1.00 0.00 C ATOM 0 H PHE A 15 0.432 13.397 1.742 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.534 15.709 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.675 15.958 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.055 14.551 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.555 18.218 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.940 14.660 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.993 19.544 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.364 15.980 -2.321 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.395 18.423 -2.137 1.00 0.00 H new ATOM 213 N CYS A 16 -2.993 13.989 1.936 1.00 0.00 N ATOM 214 CA CYS A 16 -4.476 13.743 1.986 1.00 0.00 C ATOM 215 C CYS A 16 -4.992 13.568 3.411 1.00 0.00 C ATOM 216 O CYS A 16 -5.917 14.241 3.826 1.00 0.00 O ATOM 217 CB CYS A 16 -4.836 12.459 1.178 1.00 0.00 C ATOM 218 SG CYS A 16 -4.825 10.836 1.981 1.00 0.00 S ATOM 0 H CYS A 16 -2.508 13.352 1.304 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.950 14.623 1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.834 12.607 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.147 12.406 0.335 1.00 0.00 H new ATOM 223 N SER A 17 -4.378 12.663 4.132 1.00 0.00 N ATOM 224 CA SER A 17 -4.813 12.424 5.534 1.00 0.00 C ATOM 225 C SER A 17 -4.681 13.702 6.372 1.00 0.00 C ATOM 226 O SER A 17 -5.485 13.975 7.242 1.00 0.00 O ATOM 227 CB SER A 17 -3.959 11.289 6.128 1.00 0.00 C ATOM 228 OG SER A 17 -2.630 11.785 6.175 1.00 0.00 O ATOM 0 H SER A 17 -3.601 12.086 3.810 1.00 0.00 H new ATOM 0 HA SER A 17 -5.864 12.135 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.310 11.017 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.019 10.392 5.512 1.00 0.00 H new ATOM 0 HG SER A 17 -2.300 11.923 5.263 1.00 0.00 H new ATOM 234 N GLU A 18 -3.647 14.438 6.058 1.00 0.00 N ATOM 235 CA GLU A 18 -3.350 15.717 6.758 1.00 0.00 C ATOM 236 C GLU A 18 -4.178 16.890 6.169 1.00 0.00 C ATOM 237 O GLU A 18 -4.094 18.013 6.627 1.00 0.00 O ATOM 238 CB GLU A 18 -1.864 15.993 6.591 1.00 0.00 C ATOM 239 CG GLU A 18 -1.402 17.051 7.601 1.00 0.00 C ATOM 240 CD GLU A 18 -1.260 16.421 9.001 1.00 0.00 C ATOM 241 OE1 GLU A 18 -0.345 15.622 9.146 1.00 0.00 O ATOM 242 OE2 GLU A 18 -2.071 16.765 9.845 1.00 0.00 O ATOM 0 H GLU A 18 -2.980 14.196 5.325 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.618 15.632 7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.298 15.073 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.663 16.337 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.448 17.474 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.119 17.871 7.634 1.00 0.00 H new ATOM 249 N TYR A 19 -4.965 16.591 5.170 1.00 0.00 N ATOM 250 CA TYR A 19 -5.816 17.629 4.503 1.00 0.00 C ATOM 251 C TYR A 19 -7.276 17.583 4.897 1.00 0.00 C ATOM 252 O TYR A 19 -7.916 18.612 4.977 1.00 0.00 O ATOM 253 CB TYR A 19 -5.711 17.449 2.983 1.00 0.00 C ATOM 254 CG TYR A 19 -4.797 18.538 2.438 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.508 18.654 2.907 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.248 19.411 1.470 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.676 19.629 2.416 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.417 20.384 0.977 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.121 20.502 1.444 1.00 0.00 C ATOM 260 OH TYR A 19 -2.282 21.476 0.943 1.00 0.00 O ATOM 0 H TYR A 19 -5.058 15.654 4.778 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.437 18.597 4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.313 16.463 2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.697 17.515 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.149 17.974 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.259 19.328 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.667 19.714 2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.777 21.063 0.218 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.758 22.001 0.266 1.00 0.00 H new ATOM 270 N ARG A 20 -7.737 16.383 5.115 1.00 0.00 N ATOM 271 CA ARG A 20 -9.163 16.137 5.507 1.00 0.00 C ATOM 272 C ARG A 20 -9.829 17.354 6.205 1.00 0.00 C ATOM 273 O ARG A 20 -10.791 17.868 5.671 1.00 0.00 O ATOM 274 CB ARG A 20 -9.224 14.876 6.422 1.00 0.00 C ATOM 275 CG ARG A 20 -10.694 14.421 6.457 1.00 0.00 C ATOM 276 CD ARG A 20 -10.851 13.175 7.356 1.00 0.00 C ATOM 277 NE ARG A 20 -12.223 12.572 7.214 1.00 0.00 N ATOM 278 CZ ARG A 20 -13.071 12.983 6.304 1.00 0.00 C ATOM 279 NH1 ARG A 20 -13.891 13.956 6.590 1.00 0.00 N ATOM 280 NH2 ARG A 20 -13.069 12.404 5.134 1.00 0.00 N ATOM 0 H ARG A 20 -7.173 15.537 5.037 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.733 15.973 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.584 14.085 6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.868 15.109 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.323 15.229 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.035 14.194 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.096 12.435 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.677 13.450 8.396 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.501 11.821 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.867 14.388 7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.556 14.285 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.415 11.646 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.722 12.710 4.412 1.00 0.00 H new ATOM 294 N PRO A 21 -9.325 17.812 7.335 1.00 0.00 N ATOM 295 CA PRO A 21 -9.888 19.005 8.036 1.00 0.00 C ATOM 296 C PRO A 21 -9.944 20.256 7.125 1.00 0.00 C ATOM 297 O PRO A 21 -10.996 20.806 6.872 1.00 0.00 O ATOM 298 CB PRO A 21 -8.970 19.160 9.261 1.00 0.00 C ATOM 299 CG PRO A 21 -7.637 18.539 8.782 1.00 0.00 C ATOM 300 CD PRO A 21 -8.146 17.278 8.082 1.00 0.00 C ATOM 0 HA PRO A 21 -10.931 18.883 8.327 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.849 20.206 9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.368 18.638 10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.094 19.198 8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.966 18.310 9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.398 16.848 7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.427 16.499 8.791 1.00 0.00 H new ATOM 308 N LYS A 22 -8.802 20.679 6.654 1.00 0.00 N ATOM 309 CA LYS A 22 -8.721 21.881 5.760 1.00 0.00 C ATOM 310 C LYS A 22 -9.751 21.921 4.611 1.00 0.00 C ATOM 311 O LYS A 22 -10.226 22.981 4.240 1.00 0.00 O ATOM 312 CB LYS A 22 -7.306 21.954 5.138 1.00 0.00 C ATOM 313 CG LYS A 22 -6.243 22.182 6.234 1.00 0.00 C ATOM 314 CD LYS A 22 -4.853 22.330 5.569 1.00 0.00 C ATOM 315 CE LYS A 22 -3.809 22.732 6.630 1.00 0.00 C ATOM 316 NZ LYS A 22 -3.677 21.673 7.670 1.00 0.00 N ATOM 0 H LYS A 22 -7.904 20.238 6.852 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.947 22.732 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.091 21.030 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.264 22.763 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.482 23.077 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.238 21.346 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.563 21.391 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.894 23.083 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.844 22.901 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.102 23.672 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.857 21.881 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.539 21.648 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.542 20.750 7.210 1.00 0.00 H new ATOM 330 N ILE A 23 -10.108 20.768 4.092 1.00 0.00 N ATOM 331 CA ILE A 23 -11.084 20.763 2.964 1.00 0.00 C ATOM 332 C ILE A 23 -12.440 20.788 3.571 1.00 0.00 C ATOM 333 O ILE A 23 -13.295 21.501 3.117 1.00 0.00 O ATOM 334 CB ILE A 23 -10.953 19.482 2.073 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.659 18.703 2.392 1.00 0.00 C ATOM 336 CG2 ILE A 23 -10.956 19.957 0.592 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.587 17.450 1.532 1.00 0.00 C ATOM 0 H ILE A 23 -9.773 19.853 4.394 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.896 21.623 2.322 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.781 18.801 2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.789 19.333 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.637 18.432 3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.866 19.094 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.888 20.480 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.116 20.631 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.672 16.904 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.449 16.816 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.588 17.731 0.479 1.00 0.00 H new ATOM 349 N LYS A 24 -12.598 19.996 4.581 1.00 0.00 N ATOM 350 CA LYS A 24 -13.879 19.894 5.315 1.00 0.00 C ATOM 351 C LYS A 24 -14.390 21.296 5.666 1.00 0.00 C ATOM 352 O LYS A 24 -15.569 21.577 5.605 1.00 0.00 O ATOM 353 CB LYS A 24 -13.564 19.054 6.540 1.00 0.00 C ATOM 354 CG LYS A 24 -14.825 18.836 7.417 1.00 0.00 C ATOM 355 CD LYS A 24 -14.457 18.067 8.711 1.00 0.00 C ATOM 356 CE LYS A 24 -13.939 16.657 8.374 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.733 15.878 9.626 1.00 0.00 N ATOM 0 H LYS A 24 -11.862 19.390 4.943 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.676 19.430 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.165 18.089 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.789 19.544 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.269 19.798 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.574 18.278 6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.696 18.618 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.331 17.994 9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.652 16.143 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.002 16.727 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.383 14.927 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.037 16.364 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.635 15.798 10.137 1.00 0.00 H new ATOM 371 N GLY A 25 -13.449 22.131 6.022 1.00 0.00 N ATOM 372 CA GLY A 25 -13.760 23.528 6.400 1.00 0.00 C ATOM 373 C GLY A 25 -14.227 24.355 5.203 1.00 0.00 C ATOM 374 O GLY A 25 -15.208 25.070 5.280 1.00 0.00 O ATOM 0 H GLY A 25 -12.459 21.891 6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.534 23.532 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.875 23.991 6.837 1.00 0.00 H new ATOM 378 N GLU A 26 -13.500 24.218 4.128 1.00 0.00 N ATOM 379 CA GLU A 26 -13.819 24.964 2.873 1.00 0.00 C ATOM 380 C GLU A 26 -15.036 24.458 2.069 1.00 0.00 C ATOM 381 O GLU A 26 -15.875 25.231 1.647 1.00 0.00 O ATOM 382 CB GLU A 26 -12.572 24.904 1.985 1.00 0.00 C ATOM 383 CG GLU A 26 -11.389 25.536 2.732 1.00 0.00 C ATOM 384 CD GLU A 26 -11.569 27.066 2.811 1.00 0.00 C ATOM 385 OE1 GLU A 26 -11.544 27.678 1.755 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.730 27.536 3.924 1.00 0.00 O ATOM 0 H GLU A 26 -12.683 23.610 4.064 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.098 25.973 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.344 23.870 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.751 25.434 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.318 25.118 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.456 25.298 2.220 1.00 0.00 H new ATOM 393 N HIS A 27 -15.068 23.167 1.902 1.00 0.00 N ATOM 394 CA HIS A 27 -16.127 22.448 1.153 1.00 0.00 C ATOM 395 C HIS A 27 -16.660 21.251 1.963 1.00 0.00 C ATOM 396 O HIS A 27 -16.320 20.117 1.695 1.00 0.00 O ATOM 397 CB HIS A 27 -15.495 22.022 -0.178 1.00 0.00 C ATOM 398 CG HIS A 27 -14.595 23.127 -0.746 1.00 0.00 C ATOM 399 ND1 HIS A 27 -14.992 24.278 -1.178 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.220 23.155 -0.904 1.00 0.00 C ATOM 401 CE1 HIS A 27 -13.973 24.966 -1.582 1.00 0.00 C ATOM 402 NE2 HIS A 27 -12.849 24.307 -1.428 1.00 0.00 N ATOM 0 H HIS A 27 -14.353 22.546 2.282 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.995 23.082 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.911 21.114 -0.031 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.280 21.784 -0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.550 22.351 -0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.040 25.961 -1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.905 24.615 -1.660 1.00 0.00 H new ATOM 410 N PRO A 28 -17.485 21.518 2.945 1.00 0.00 N ATOM 411 CA PRO A 28 -18.275 20.461 3.642 1.00 0.00 C ATOM 412 C PRO A 28 -19.525 20.106 2.817 1.00 0.00 C ATOM 413 O PRO A 28 -20.619 20.024 3.346 1.00 0.00 O ATOM 414 CB PRO A 28 -18.582 21.095 4.995 1.00 0.00 C ATOM 415 CG PRO A 28 -18.798 22.591 4.605 1.00 0.00 C ATOM 416 CD PRO A 28 -17.730 22.870 3.511 1.00 0.00 C ATOM 0 HA PRO A 28 -17.759 19.509 3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.468 20.661 5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.760 20.971 5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -19.806 22.760 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.666 23.248 5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.096 23.566 2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.823 23.304 3.931 1.00 0.00 H new ATOM 424 N GLY A 29 -19.319 19.911 1.537 1.00 0.00 N ATOM 425 CA GLY A 29 -20.440 19.561 0.625 1.00 0.00 C ATOM 426 C GLY A 29 -20.117 18.472 -0.397 1.00 0.00 C ATOM 427 O GLY A 29 -20.970 18.187 -1.216 1.00 0.00 O ATOM 0 H GLY A 29 -18.408 19.982 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.290 19.236 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.751 20.460 0.092 1.00 0.00 H new ATOM 431 N LEU A 30 -18.939 17.885 -0.352 1.00 0.00 N ATOM 432 CA LEU A 30 -18.615 16.826 -1.346 1.00 0.00 C ATOM 433 C LEU A 30 -18.591 15.421 -0.725 1.00 0.00 C ATOM 434 O LEU A 30 -18.947 15.226 0.421 1.00 0.00 O ATOM 435 CB LEU A 30 -17.217 17.070 -2.019 1.00 0.00 C ATOM 436 CG LEU A 30 -16.463 18.395 -1.768 1.00 0.00 C ATOM 437 CD1 LEU A 30 -17.320 19.629 -2.003 1.00 0.00 C ATOM 438 CD2 LEU A 30 -15.765 18.289 -0.407 1.00 0.00 C ATOM 0 H LEU A 30 -18.203 18.095 0.323 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.410 16.881 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.560 16.258 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.354 16.973 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.683 18.546 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.729 20.524 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.667 19.640 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.179 19.609 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.223 19.213 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.510 18.125 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.065 17.454 -0.421 1.00 0.00 H new ATOM 450 N SER A 31 -18.157 14.495 -1.540 1.00 0.00 N ATOM 451 CA SER A 31 -18.050 13.059 -1.165 1.00 0.00 C ATOM 452 C SER A 31 -16.605 12.599 -1.226 1.00 0.00 C ATOM 453 O SER A 31 -15.724 13.332 -1.614 1.00 0.00 O ATOM 454 CB SER A 31 -18.893 12.237 -2.138 1.00 0.00 C ATOM 455 OG SER A 31 -20.215 12.709 -1.927 1.00 0.00 O ATOM 0 H SER A 31 -17.859 14.690 -2.496 1.00 0.00 H new ATOM 0 HA SER A 31 -18.410 12.923 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.574 12.389 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.812 11.169 -1.933 1.00 0.00 H new ATOM 0 HG SER A 31 -20.832 12.231 -2.520 1.00 0.00 H new ATOM 461 N ILE A 32 -16.392 11.374 -0.838 1.00 0.00 N ATOM 462 CA ILE A 32 -15.027 10.757 -0.839 1.00 0.00 C ATOM 463 C ILE A 32 -14.367 10.741 -2.233 1.00 0.00 C ATOM 464 O ILE A 32 -13.197 10.435 -2.372 1.00 0.00 O ATOM 465 CB ILE A 32 -15.198 9.333 -0.280 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.838 8.606 -0.073 1.00 0.00 C ATOM 467 CG2 ILE A 32 -16.094 8.477 -1.225 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.905 9.390 0.881 1.00 0.00 C ATOM 0 H ILE A 32 -17.129 10.751 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.351 11.352 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.676 9.439 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.017 7.610 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.346 8.475 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.203 7.474 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.076 8.941 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.630 8.416 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.966 8.848 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.705 10.377 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.386 9.498 1.853 1.00 0.00 H new ATOM 480 N GLY A 33 -15.152 11.082 -3.217 1.00 0.00 N ATOM 481 CA GLY A 33 -14.650 11.109 -4.633 1.00 0.00 C ATOM 482 C GLY A 33 -14.320 12.529 -5.105 1.00 0.00 C ATOM 483 O GLY A 33 -13.793 12.714 -6.184 1.00 0.00 O ATOM 0 H GLY A 33 -16.131 11.347 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.759 10.486 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.403 10.675 -5.291 1.00 0.00 H new ATOM 487 N ASP A 34 -14.631 13.480 -4.271 1.00 0.00 N ATOM 488 CA ASP A 34 -14.394 14.922 -4.544 1.00 0.00 C ATOM 489 C ASP A 34 -13.283 15.332 -3.596 1.00 0.00 C ATOM 490 O ASP A 34 -12.365 16.037 -3.946 1.00 0.00 O ATOM 491 CB ASP A 34 -15.680 15.634 -4.245 1.00 0.00 C ATOM 492 CG ASP A 34 -16.799 15.190 -5.202 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.628 15.424 -6.388 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.762 14.640 -4.690 1.00 0.00 O ATOM 0 H ASP A 34 -15.063 13.303 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.105 15.151 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.978 15.434 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.531 16.710 -4.331 1.00 0.00 H new ATOM 499 N VAL A 35 -13.412 14.861 -2.392 1.00 0.00 N ATOM 500 CA VAL A 35 -12.420 15.143 -1.322 1.00 0.00 C ATOM 501 C VAL A 35 -11.091 14.575 -1.827 1.00 0.00 C ATOM 502 O VAL A 35 -10.029 15.096 -1.555 1.00 0.00 O ATOM 503 CB VAL A 35 -12.933 14.433 -0.042 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.851 14.334 1.040 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.124 15.231 0.541 1.00 0.00 C ATOM 0 H VAL A 35 -14.190 14.272 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.285 16.199 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.229 13.424 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.258 13.830 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.003 13.767 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.522 15.335 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.488 14.736 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.798 16.241 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.925 15.279 -0.196 1.00 0.00 H new ATOM 515 N ALA A 36 -11.226 13.511 -2.572 1.00 0.00 N ATOM 516 CA ALA A 36 -10.066 12.806 -3.153 1.00 0.00 C ATOM 517 C ALA A 36 -9.671 13.354 -4.518 1.00 0.00 C ATOM 518 O ALA A 36 -8.498 13.572 -4.747 1.00 0.00 O ATOM 519 CB ALA A 36 -10.450 11.345 -3.248 1.00 0.00 C ATOM 0 H ALA A 36 -12.127 13.094 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.191 12.950 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.622 10.778 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.678 10.963 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.327 11.240 -3.886 1.00 0.00 H new ATOM 525 N LYS A 37 -10.614 13.574 -5.401 1.00 0.00 N ATOM 526 CA LYS A 37 -10.200 14.111 -6.732 1.00 0.00 C ATOM 527 C LYS A 37 -9.948 15.616 -6.737 1.00 0.00 C ATOM 528 O LYS A 37 -9.399 16.123 -7.696 1.00 0.00 O ATOM 529 CB LYS A 37 -11.284 13.768 -7.770 1.00 0.00 C ATOM 530 CG LYS A 37 -11.218 12.253 -8.078 1.00 0.00 C ATOM 531 CD LYS A 37 -12.265 11.899 -9.159 1.00 0.00 C ATOM 532 CE LYS A 37 -11.940 10.518 -9.766 1.00 0.00 C ATOM 533 NZ LYS A 37 -10.635 10.572 -10.488 1.00 0.00 N ATOM 0 H LYS A 37 -11.612 13.413 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.249 13.640 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.270 14.033 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.130 14.346 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.219 11.985 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.408 11.678 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.264 11.889 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.266 12.659 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.898 9.766 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.732 10.217 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.612 9.833 -11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.523 11.505 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.859 10.415 -9.814 1.00 0.00 H new ATOM 547 N LYS A 38 -10.325 16.297 -5.682 1.00 0.00 N ATOM 548 CA LYS A 38 -10.109 17.765 -5.639 1.00 0.00 C ATOM 549 C LYS A 38 -8.824 17.953 -4.853 1.00 0.00 C ATOM 550 O LYS A 38 -7.944 18.647 -5.316 1.00 0.00 O ATOM 551 CB LYS A 38 -11.298 18.433 -4.934 1.00 0.00 C ATOM 552 CG LYS A 38 -11.289 19.938 -5.240 1.00 0.00 C ATOM 553 CD LYS A 38 -12.596 20.549 -4.692 1.00 0.00 C ATOM 554 CE LYS A 38 -12.751 21.988 -5.209 1.00 0.00 C ATOM 555 NZ LYS A 38 -12.864 21.985 -6.698 1.00 0.00 N ATOM 0 H LYS A 38 -10.770 15.897 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.032 18.214 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.233 17.987 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.237 18.269 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.424 20.415 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.211 20.107 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.449 19.946 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.583 20.543 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.636 22.448 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.894 22.588 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.358 22.845 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.913 21.960 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.400 21.148 -7.004 1.00 0.00 H new ATOM 569 N LEU A 39 -8.701 17.341 -3.698 1.00 0.00 N ATOM 570 CA LEU A 39 -7.427 17.532 -2.948 1.00 0.00 C ATOM 571 C LEU A 39 -6.355 16.756 -3.749 1.00 0.00 C ATOM 572 O LEU A 39 -5.174 17.001 -3.614 1.00 0.00 O ATOM 573 CB LEU A 39 -7.674 17.010 -1.483 1.00 0.00 C ATOM 574 CG LEU A 39 -6.827 15.792 -1.103 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.460 16.293 -0.662 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.385 15.093 0.149 1.00 0.00 C ATOM 0 H LEU A 39 -9.399 16.741 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.086 18.563 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.466 17.817 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.728 16.755 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.810 15.120 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.834 15.445 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.991 16.838 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.575 16.955 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.762 14.232 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.384 15.791 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.405 14.760 -0.044 1.00 0.00 H new ATOM 588 N GLY A 40 -6.787 15.851 -4.594 1.00 0.00 N ATOM 589 CA GLY A 40 -5.804 15.067 -5.403 1.00 0.00 C ATOM 590 C GLY A 40 -5.358 15.997 -6.507 1.00 0.00 C ATOM 591 O GLY A 40 -4.219 15.994 -6.921 1.00 0.00 O ATOM 0 H GLY A 40 -7.768 15.623 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.959 14.748 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.261 14.165 -5.810 1.00 0.00 H new ATOM 595 N GLU A 41 -6.282 16.796 -6.965 1.00 0.00 N ATOM 596 CA GLU A 41 -5.938 17.749 -8.038 1.00 0.00 C ATOM 597 C GLU A 41 -4.867 18.653 -7.439 1.00 0.00 C ATOM 598 O GLU A 41 -3.822 18.833 -8.032 1.00 0.00 O ATOM 599 CB GLU A 41 -7.168 18.520 -8.382 1.00 0.00 C ATOM 600 CG GLU A 41 -7.019 19.349 -9.648 1.00 0.00 C ATOM 601 CD GLU A 41 -6.907 18.446 -10.895 1.00 0.00 C ATOM 602 OE1 GLU A 41 -5.835 17.903 -11.104 1.00 0.00 O ATOM 603 OE2 GLU A 41 -7.916 18.343 -11.572 1.00 0.00 O ATOM 0 H GLU A 41 -7.249 16.825 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.575 17.274 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.001 17.828 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.421 19.179 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.876 20.015 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.133 19.979 -9.571 1.00 0.00 H new ATOM 610 N MET A 42 -5.181 19.179 -6.271 1.00 0.00 N ATOM 611 CA MET A 42 -4.227 20.082 -5.559 1.00 0.00 C ATOM 612 C MET A 42 -2.872 19.423 -5.491 1.00 0.00 C ATOM 613 O MET A 42 -1.880 20.066 -5.751 1.00 0.00 O ATOM 614 CB MET A 42 -4.698 20.367 -4.156 1.00 0.00 C ATOM 615 CG MET A 42 -6.011 21.164 -4.241 1.00 0.00 C ATOM 616 SD MET A 42 -6.464 22.177 -2.811 1.00 0.00 S ATOM 617 CE MET A 42 -7.481 20.966 -1.933 1.00 0.00 C ATOM 0 H MET A 42 -6.062 19.017 -5.784 1.00 0.00 H new ATOM 0 HA MET A 42 -4.169 21.021 -6.109 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.853 19.436 -3.611 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.944 20.934 -3.610 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.953 21.817 -5.112 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.822 20.459 -4.425 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.055 21.469 -1.154 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.164 20.487 -2.635 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.838 20.211 -1.480 1.00 0.00 H new ATOM 627 N TRP A 43 -2.868 18.169 -5.123 1.00 0.00 N ATOM 628 CA TRP A 43 -1.605 17.385 -5.030 1.00 0.00 C ATOM 629 C TRP A 43 -0.833 17.580 -6.337 1.00 0.00 C ATOM 630 O TRP A 43 0.330 17.931 -6.332 1.00 0.00 O ATOM 631 CB TRP A 43 -1.931 15.899 -4.851 1.00 0.00 C ATOM 632 CG TRP A 43 -0.639 15.109 -4.887 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.337 14.278 -5.895 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.352 15.111 -3.980 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.835 13.811 -5.546 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.350 14.244 -4.401 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.485 15.796 -2.781 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.484 14.057 -3.615 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.615 15.614 -1.988 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.617 14.745 -2.410 1.00 0.00 C ATOM 0 H TRP A 43 -3.708 17.645 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.013 17.722 -4.179 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.446 15.737 -3.904 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.602 15.562 -5.641 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.917 14.050 -6.777 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.334 13.140 -6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.292 16.474 -2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.260 13.379 -3.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.713 16.144 -1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.499 14.604 -1.803 1.00 0.00 H new ATOM 651 N ASN A 44 -1.540 17.357 -7.420 1.00 0.00 N ATOM 652 CA ASN A 44 -0.914 17.498 -8.777 1.00 0.00 C ATOM 653 C ASN A 44 -0.407 18.925 -9.096 1.00 0.00 C ATOM 654 O ASN A 44 0.131 19.165 -10.160 1.00 0.00 O ATOM 655 CB ASN A 44 -1.941 17.048 -9.859 1.00 0.00 C ATOM 656 CG ASN A 44 -2.478 15.654 -9.499 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.766 15.437 -9.524 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.728 14.750 -9.186 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.523 17.084 -7.424 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.030 16.861 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.762 17.763 -9.918 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.467 17.026 -10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.721 14.908 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.106 13.833 -8.946 1.00 0.00 H new ATOM 665 N ASN A 45 -0.607 19.817 -8.154 1.00 0.00 N ATOM 666 CA ASN A 45 -0.183 21.246 -8.273 1.00 0.00 C ATOM 667 C ASN A 45 0.104 21.856 -6.869 1.00 0.00 C ATOM 668 O ASN A 45 -0.203 23.010 -6.635 1.00 0.00 O ATOM 669 CB ASN A 45 -1.317 22.032 -9.005 1.00 0.00 C ATOM 670 CG ASN A 45 -2.632 22.031 -8.192 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.668 21.362 -8.615 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -2.735 22.648 -7.150 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.067 19.600 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 45 0.741 21.314 -8.847 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.996 23.060 -9.175 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.494 21.587 -9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.942 23.181 -6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.614 22.633 -6.633 1.00 0.00 H new ATOM 679 N THR A 46 0.695 21.097 -5.966 1.00 0.00 N ATOM 680 CA THR A 46 0.975 21.657 -4.593 1.00 0.00 C ATOM 681 C THR A 46 2.195 22.578 -4.661 1.00 0.00 C ATOM 682 O THR A 46 2.175 23.677 -4.139 1.00 0.00 O ATOM 683 CB THR A 46 1.221 20.464 -3.581 1.00 0.00 C ATOM 684 OG1 THR A 46 1.431 21.094 -2.324 1.00 0.00 O ATOM 685 CG2 THR A 46 2.527 19.665 -3.793 1.00 0.00 C ATOM 0 H THR A 46 0.991 20.132 -6.114 1.00 0.00 H new ATOM 0 HA THR A 46 0.122 22.238 -4.242 1.00 0.00 H new ATOM 0 HB THR A 46 0.379 19.781 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.590 20.412 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.594 18.873 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.526 19.225 -4.790 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.383 20.333 -3.692 1.00 0.00 H new ATOM 693 N ALA A 47 3.212 22.078 -5.310 1.00 0.00 N ATOM 694 CA ALA A 47 4.500 22.812 -5.498 1.00 0.00 C ATOM 695 C ALA A 47 5.425 21.896 -6.286 1.00 0.00 C ATOM 696 O ALA A 47 5.993 22.313 -7.274 1.00 0.00 O ATOM 697 CB ALA A 47 5.154 23.131 -4.142 1.00 0.00 C ATOM 0 H ALA A 47 3.202 21.151 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 47 4.318 23.753 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.090 23.665 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.481 23.751 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.355 22.202 -3.608 1.00 0.00 H new ATOM 703 N ALA A 48 5.513 20.688 -5.779 1.00 0.00 N ATOM 704 CA ALA A 48 6.344 19.558 -6.315 1.00 0.00 C ATOM 705 C ALA A 48 7.504 19.497 -5.327 1.00 0.00 C ATOM 706 O ALA A 48 7.912 18.446 -4.876 1.00 0.00 O ATOM 707 CB ALA A 48 6.913 19.825 -7.730 1.00 0.00 C ATOM 0 H ALA A 48 4.995 20.422 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 48 5.753 18.647 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.502 18.967 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.091 19.985 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.546 20.712 -7.706 1.00 0.00 H new ATOM 713 N ASP A 49 7.982 20.675 -5.017 1.00 0.00 N ATOM 714 CA ASP A 49 9.117 20.835 -4.069 1.00 0.00 C ATOM 715 C ASP A 49 8.575 20.769 -2.624 1.00 0.00 C ATOM 716 O ASP A 49 9.322 20.859 -1.670 1.00 0.00 O ATOM 717 CB ASP A 49 9.787 22.193 -4.379 1.00 0.00 C ATOM 718 CG ASP A 49 8.752 23.334 -4.302 1.00 0.00 C ATOM 719 OD1 ASP A 49 8.367 23.650 -3.189 1.00 0.00 O ATOM 720 OD2 ASP A 49 8.395 23.815 -5.366 1.00 0.00 O ATOM 0 H ASP A 49 7.621 21.552 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 49 9.858 20.042 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.594 22.377 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.235 22.166 -5.372 1.00 0.00 H new ATOM 725 N ASP A 50 7.278 20.610 -2.538 1.00 0.00 N ATOM 726 CA ASP A 50 6.543 20.513 -1.239 1.00 0.00 C ATOM 727 C ASP A 50 6.027 19.061 -1.155 1.00 0.00 C ATOM 728 O ASP A 50 5.562 18.624 -0.120 1.00 0.00 O ATOM 729 CB ASP A 50 5.370 21.523 -1.240 1.00 0.00 C ATOM 730 CG ASP A 50 4.698 21.609 0.143 1.00 0.00 C ATOM 731 OD1 ASP A 50 3.922 20.715 0.447 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.002 22.572 0.824 1.00 0.00 O ATOM 0 H ASP A 50 6.672 20.540 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 50 7.175 20.748 -0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.737 22.508 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.633 21.226 -1.986 1.00 0.00 H new ATOM 737 N LYS A 51 6.128 18.349 -2.256 1.00 0.00 N ATOM 738 CA LYS A 51 5.672 16.931 -2.296 1.00 0.00 C ATOM 739 C LYS A 51 6.836 16.202 -1.674 1.00 0.00 C ATOM 740 O LYS A 51 6.618 15.398 -0.807 1.00 0.00 O ATOM 741 CB LYS A 51 5.509 16.379 -3.714 1.00 0.00 C ATOM 742 CG LYS A 51 4.331 17.025 -4.419 1.00 0.00 C ATOM 743 CD LYS A 51 4.199 16.355 -5.791 1.00 0.00 C ATOM 744 CE LYS A 51 2.975 16.903 -6.498 1.00 0.00 C ATOM 745 NZ LYS A 51 2.887 16.341 -7.874 1.00 0.00 N ATOM 0 H LYS A 51 6.512 18.699 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 51 4.702 16.824 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.421 16.558 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.365 15.299 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.418 16.896 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.490 18.098 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.092 16.541 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.113 15.275 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.076 16.651 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.028 17.991 -6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.105 16.798 -8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.780 16.515 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.714 15.317 -7.820 1.00 0.00 H new ATOM 759 N GLN A 52 8.014 16.507 -2.160 1.00 0.00 N ATOM 760 CA GLN A 52 9.298 15.902 -1.673 1.00 0.00 C ATOM 761 C GLN A 52 9.206 15.221 -0.281 1.00 0.00 C ATOM 762 O GLN A 52 9.425 14.031 -0.220 1.00 0.00 O ATOM 763 CB GLN A 52 10.366 17.046 -1.678 1.00 0.00 C ATOM 764 CG GLN A 52 11.464 16.843 -2.760 1.00 0.00 C ATOM 765 CD GLN A 52 10.957 16.901 -4.219 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.726 16.595 -4.531 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 11.707 17.225 -5.118 1.00 0.00 N flip ATOM 0 H GLN A 52 8.144 17.184 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 52 9.571 15.085 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.868 18.001 -1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.836 17.102 -0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.231 17.606 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.943 15.878 -2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.675 17.471 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.369 17.252 -6.080 1.00 0.00 H new ATOM 776 N PRO A 53 8.882 15.941 0.778 1.00 0.00 N ATOM 777 CA PRO A 53 8.677 15.364 2.148 1.00 0.00 C ATOM 778 C PRO A 53 7.806 14.097 2.187 1.00 0.00 C ATOM 779 O PRO A 53 8.137 13.104 2.807 1.00 0.00 O ATOM 780 CB PRO A 53 8.071 16.524 2.956 1.00 0.00 C ATOM 781 CG PRO A 53 7.537 17.488 1.871 1.00 0.00 C ATOM 782 CD PRO A 53 8.636 17.411 0.807 1.00 0.00 C ATOM 0 HA PRO A 53 9.619 15.004 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.273 16.180 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.818 17.006 3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.570 17.169 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.409 18.501 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.306 17.795 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.525 17.975 1.088 1.00 0.00 H new ATOM 790 N TYR A 54 6.707 14.211 1.497 1.00 0.00 N ATOM 791 CA TYR A 54 5.697 13.109 1.394 1.00 0.00 C ATOM 792 C TYR A 54 6.151 12.075 0.356 1.00 0.00 C ATOM 793 O TYR A 54 6.220 10.890 0.624 1.00 0.00 O ATOM 794 CB TYR A 54 4.347 13.701 0.957 1.00 0.00 C ATOM 795 CG TYR A 54 3.787 14.724 1.961 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.621 14.409 3.296 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.424 15.982 1.525 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.104 15.337 4.175 1.00 0.00 C ATOM 799 CE2 TYR A 54 2.908 16.912 2.404 1.00 0.00 C ATOM 800 CZ TYR A 54 2.739 16.595 3.736 1.00 0.00 C ATOM 801 OH TYR A 54 2.217 17.524 4.611 1.00 0.00 O ATOM 0 H TYR A 54 6.454 15.053 0.979 1.00 0.00 H new ATOM 0 HA TYR A 54 5.597 12.623 2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.464 14.180 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.626 12.893 0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.898 13.428 3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.545 16.242 0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.983 15.078 5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.635 17.894 2.047 1.00 0.00 H new ATOM 0 HH TYR A 54 2.019 18.353 4.128 1.00 0.00 H new ATOM 811 N GLU A 55 6.442 12.567 -0.818 1.00 0.00 N ATOM 812 CA GLU A 55 6.900 11.699 -1.944 1.00 0.00 C ATOM 813 C GLU A 55 8.033 10.740 -1.542 1.00 0.00 C ATOM 814 O GLU A 55 7.926 9.540 -1.703 1.00 0.00 O ATOM 815 CB GLU A 55 7.351 12.624 -3.092 1.00 0.00 C ATOM 816 CG GLU A 55 6.431 12.429 -4.313 1.00 0.00 C ATOM 817 CD GLU A 55 6.999 13.230 -5.503 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.084 12.868 -5.934 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.325 14.155 -5.919 1.00 0.00 O ATOM 0 H GLU A 55 6.380 13.558 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 55 6.073 11.061 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.322 13.664 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.383 12.404 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.364 11.372 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.421 12.766 -4.081 1.00 0.00 H new ATOM 826 N LYS A 56 9.093 11.310 -1.032 1.00 0.00 N ATOM 827 CA LYS A 56 10.285 10.531 -0.586 1.00 0.00 C ATOM 828 C LYS A 56 9.874 9.376 0.338 1.00 0.00 C ATOM 829 O LYS A 56 10.502 8.334 0.359 1.00 0.00 O ATOM 830 CB LYS A 56 11.236 11.526 0.121 1.00 0.00 C ATOM 831 CG LYS A 56 12.481 10.799 0.696 1.00 0.00 C ATOM 832 CD LYS A 56 13.606 11.817 1.039 1.00 0.00 C ATOM 833 CE LYS A 56 14.675 11.860 -0.084 1.00 0.00 C ATOM 834 NZ LYS A 56 14.100 12.298 -1.388 1.00 0.00 N ATOM 0 H LYS A 56 9.183 12.318 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 56 10.790 10.070 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.553 12.294 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.704 12.033 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.202 10.243 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.850 10.073 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.175 12.809 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.076 11.542 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.477 12.540 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.120 10.872 -0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.860 12.378 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.400 11.600 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.638 13.222 -1.271 1.00 0.00 H new ATOM 848 N LYS A 57 8.811 9.597 1.071 1.00 0.00 N ATOM 849 CA LYS A 57 8.322 8.548 2.013 1.00 0.00 C ATOM 850 C LYS A 57 7.643 7.471 1.161 1.00 0.00 C ATOM 851 O LYS A 57 8.004 6.310 1.233 1.00 0.00 O ATOM 852 CB LYS A 57 7.321 9.185 2.997 1.00 0.00 C ATOM 853 CG LYS A 57 7.195 8.277 4.234 1.00 0.00 C ATOM 854 CD LYS A 57 6.198 8.907 5.231 1.00 0.00 C ATOM 855 CE LYS A 57 6.245 8.134 6.560 1.00 0.00 C ATOM 856 NZ LYS A 57 7.592 8.292 7.189 1.00 0.00 N ATOM 0 H LYS A 57 8.263 10.457 1.057 1.00 0.00 H new ATOM 0 HA LYS A 57 9.133 8.110 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.661 10.178 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.349 9.309 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.853 7.285 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.169 8.150 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.448 9.955 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.189 8.881 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.473 8.504 7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.036 7.079 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.522 8.108 8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.257 7.617 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.935 9.262 7.035 1.00 0.00 H new ATOM 870 N ALA A 58 6.674 7.889 0.384 1.00 0.00 N ATOM 871 CA ALA A 58 5.927 6.942 -0.513 1.00 0.00 C ATOM 872 C ALA A 58 6.921 5.975 -1.178 1.00 0.00 C ATOM 873 O ALA A 58 6.763 4.772 -1.129 1.00 0.00 O ATOM 874 CB ALA A 58 5.183 7.735 -1.590 1.00 0.00 C ATOM 0 H ALA A 58 6.362 8.859 0.330 1.00 0.00 H new ATOM 0 HA ALA A 58 5.208 6.374 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.642 7.047 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.478 8.418 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.899 8.305 -2.182 1.00 0.00 H new ATOM 880 N ALA A 59 7.925 6.569 -1.783 1.00 0.00 N ATOM 881 CA ALA A 59 8.997 5.794 -2.484 1.00 0.00 C ATOM 882 C ALA A 59 9.508 4.662 -1.576 1.00 0.00 C ATOM 883 O ALA A 59 9.389 3.502 -1.914 1.00 0.00 O ATOM 884 CB ALA A 59 10.149 6.754 -2.838 1.00 0.00 C ATOM 0 H ALA A 59 8.047 7.581 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 59 8.597 5.349 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.938 6.203 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.777 7.544 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.548 7.195 -1.925 1.00 0.00 H new ATOM 890 N LYS A 60 10.057 5.046 -0.447 1.00 0.00 N ATOM 891 CA LYS A 60 10.606 4.078 0.557 1.00 0.00 C ATOM 892 C LYS A 60 9.644 2.898 0.741 1.00 0.00 C ATOM 893 O LYS A 60 10.052 1.753 0.724 1.00 0.00 O ATOM 894 CB LYS A 60 10.832 4.882 1.865 1.00 0.00 C ATOM 895 CG LYS A 60 11.555 4.034 2.935 1.00 0.00 C ATOM 896 CD LYS A 60 12.157 5.000 3.990 1.00 0.00 C ATOM 897 CE LYS A 60 12.836 4.216 5.126 1.00 0.00 C ATOM 898 NZ LYS A 60 11.803 3.524 5.944 1.00 0.00 N ATOM 0 H LYS A 60 10.150 6.024 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 60 11.549 3.639 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.420 5.774 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.872 5.220 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.858 3.342 3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.341 3.433 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.882 5.659 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.371 5.634 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.534 3.488 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.416 4.894 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.236 3.166 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.043 4.193 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.408 2.728 5.403 1.00 0.00 H new ATOM 912 N LEU A 61 8.380 3.199 0.909 1.00 0.00 N ATOM 913 CA LEU A 61 7.378 2.099 1.089 1.00 0.00 C ATOM 914 C LEU A 61 7.337 1.226 -0.171 1.00 0.00 C ATOM 915 O LEU A 61 7.550 0.035 -0.069 1.00 0.00 O ATOM 916 CB LEU A 61 6.007 2.738 1.376 1.00 0.00 C ATOM 917 CG LEU A 61 6.180 3.736 2.558 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.815 4.291 2.946 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.880 3.069 3.781 1.00 0.00 C ATOM 0 H LEU A 61 8.000 4.146 0.930 1.00 0.00 H new ATOM 0 HA LEU A 61 7.653 1.457 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.635 3.255 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.274 1.971 1.629 1.00 0.00 H new ATOM 0 HG LEU A 61 6.826 4.552 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.929 4.991 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.376 4.807 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.163 3.473 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.982 3.799 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.281 2.228 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.867 2.714 3.486 1.00 0.00 H new ATOM 931 N LYS A 62 7.068 1.802 -1.320 1.00 0.00 N ATOM 932 CA LYS A 62 7.033 0.980 -2.587 1.00 0.00 C ATOM 933 C LYS A 62 8.229 0.010 -2.567 1.00 0.00 C ATOM 934 O LYS A 62 8.122 -1.173 -2.808 1.00 0.00 O ATOM 935 CB LYS A 62 7.164 1.874 -3.833 1.00 0.00 C ATOM 936 CG LYS A 62 6.028 2.915 -3.894 1.00 0.00 C ATOM 937 CD LYS A 62 6.150 3.767 -5.189 1.00 0.00 C ATOM 938 CE LYS A 62 5.978 2.900 -6.459 1.00 0.00 C ATOM 939 NZ LYS A 62 4.685 2.160 -6.416 1.00 0.00 N ATOM 0 H LYS A 62 6.872 2.796 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 62 6.083 0.448 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.127 2.384 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.143 1.256 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.062 2.411 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.071 3.563 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.396 4.554 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.123 4.258 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.012 3.533 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.805 2.194 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.465 1.791 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.760 1.369 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.927 2.803 -6.110 1.00 0.00 H new ATOM 953 N GLU A 63 9.353 0.600 -2.254 1.00 0.00 N ATOM 954 CA GLU A 63 10.659 -0.106 -2.162 1.00 0.00 C ATOM 955 C GLU A 63 10.550 -1.330 -1.229 1.00 0.00 C ATOM 956 O GLU A 63 10.821 -2.443 -1.640 1.00 0.00 O ATOM 957 CB GLU A 63 11.702 0.922 -1.626 1.00 0.00 C ATOM 958 CG GLU A 63 13.047 0.841 -2.377 1.00 0.00 C ATOM 959 CD GLU A 63 14.036 1.834 -1.725 1.00 0.00 C ATOM 960 OE1 GLU A 63 13.713 3.015 -1.710 1.00 0.00 O ATOM 961 OE2 GLU A 63 15.064 1.355 -1.268 1.00 0.00 O ATOM 0 H GLU A 63 9.416 1.597 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 63 10.967 -0.481 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.297 1.929 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.871 0.744 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.445 -0.173 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.907 1.083 -3.431 1.00 0.00 H new ATOM 968 N LYS A 64 10.142 -1.098 -0.001 1.00 0.00 N ATOM 969 CA LYS A 64 10.018 -2.238 0.976 1.00 0.00 C ATOM 970 C LYS A 64 9.169 -3.378 0.401 1.00 0.00 C ATOM 971 O LYS A 64 9.497 -4.539 0.557 1.00 0.00 O ATOM 972 CB LYS A 64 9.414 -1.679 2.329 1.00 0.00 C ATOM 973 CG LYS A 64 7.861 -1.686 2.456 1.00 0.00 C ATOM 974 CD LYS A 64 7.343 -3.065 2.944 1.00 0.00 C ATOM 975 CE LYS A 64 5.802 -3.045 3.006 1.00 0.00 C ATOM 976 NZ LYS A 64 5.321 -1.993 3.950 1.00 0.00 N ATOM 0 H LYS A 64 9.891 -0.180 0.367 1.00 0.00 H new ATOM 0 HA LYS A 64 11.003 -2.661 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.826 -2.263 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.762 -0.654 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.547 -0.909 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.414 -1.447 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.680 -3.851 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.754 -3.292 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.396 -2.860 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.434 -4.021 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.323 -2.168 4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.891 -2.020 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.413 -1.058 3.504 1.00 0.00 H new ATOM 990 N TYR A 65 8.101 -3.011 -0.260 1.00 0.00 N ATOM 991 CA TYR A 65 7.196 -4.022 -0.862 1.00 0.00 C ATOM 992 C TYR A 65 8.004 -4.861 -1.839 1.00 0.00 C ATOM 993 O TYR A 65 8.138 -6.049 -1.656 1.00 0.00 O ATOM 994 CB TYR A 65 6.030 -3.243 -1.548 1.00 0.00 C ATOM 995 CG TYR A 65 5.175 -4.068 -2.540 1.00 0.00 C ATOM 996 CD1 TYR A 65 5.098 -5.451 -2.523 1.00 0.00 C ATOM 997 CD2 TYR A 65 4.447 -3.385 -3.498 1.00 0.00 C ATOM 998 CE1 TYR A 65 4.318 -6.125 -3.443 1.00 0.00 C ATOM 999 CE2 TYR A 65 3.668 -4.061 -4.414 1.00 0.00 C ATOM 1000 CZ TYR A 65 3.597 -5.435 -4.392 1.00 0.00 C ATOM 1001 OH TYR A 65 2.813 -6.107 -5.308 1.00 0.00 O ATOM 0 H TYR A 65 7.819 -2.042 -0.407 1.00 0.00 H new ATOM 0 HA TYR A 65 6.768 -4.704 -0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.375 -2.846 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.449 -2.388 -2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.653 -6.008 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.489 -2.306 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.273 -7.204 -3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.109 -3.507 -5.154 1.00 0.00 H new ATOM 0 HH TYR A 65 2.375 -5.461 -5.901 1.00 0.00 H new ATOM 1011 N GLU A 66 8.524 -4.212 -2.843 1.00 0.00 N ATOM 1012 CA GLU A 66 9.335 -4.917 -3.877 1.00 0.00 C ATOM 1013 C GLU A 66 10.410 -5.894 -3.350 1.00 0.00 C ATOM 1014 O GLU A 66 10.791 -6.812 -4.050 1.00 0.00 O ATOM 1015 CB GLU A 66 10.022 -3.899 -4.748 1.00 0.00 C ATOM 1016 CG GLU A 66 8.967 -2.951 -5.353 1.00 0.00 C ATOM 1017 CD GLU A 66 9.528 -2.166 -6.550 1.00 0.00 C ATOM 1018 OE1 GLU A 66 10.458 -1.410 -6.324 1.00 0.00 O ATOM 1019 OE2 GLU A 66 8.996 -2.369 -7.629 1.00 0.00 O ATOM 0 H GLU A 66 8.420 -3.209 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 66 8.614 -5.530 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.745 -3.331 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.577 -4.398 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.099 -3.528 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.624 -2.253 -4.589 1.00 0.00 H new ATOM 1026 N LYS A 67 10.860 -5.680 -2.142 1.00 0.00 N ATOM 1027 CA LYS A 67 11.910 -6.564 -1.535 1.00 0.00 C ATOM 1028 C LYS A 67 11.344 -7.733 -0.745 1.00 0.00 C ATOM 1029 O LYS A 67 11.917 -8.804 -0.676 1.00 0.00 O ATOM 1030 CB LYS A 67 12.801 -5.740 -0.581 1.00 0.00 C ATOM 1031 CG LYS A 67 13.976 -5.093 -1.319 1.00 0.00 C ATOM 1032 CD LYS A 67 13.524 -4.032 -2.334 1.00 0.00 C ATOM 1033 CE LYS A 67 14.763 -3.441 -3.022 1.00 0.00 C ATOM 1034 NZ LYS A 67 14.345 -2.395 -3.996 1.00 0.00 N ATOM 0 H LYS A 67 10.543 -4.921 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 67 12.476 -6.969 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.202 -4.966 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.180 -6.386 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.647 -4.634 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.545 -5.866 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.859 -4.477 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.961 -3.246 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.434 -3.012 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.317 -4.228 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.120 -1.714 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.117 -2.841 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.506 -1.899 -3.634 1.00 0.00 H new ATOM 1048 N ASP A 68 10.213 -7.464 -0.182 1.00 0.00 N ATOM 1049 CA ASP A 68 9.482 -8.447 0.641 1.00 0.00 C ATOM 1050 C ASP A 68 8.681 -9.317 -0.284 1.00 0.00 C ATOM 1051 O ASP A 68 8.334 -10.423 0.075 1.00 0.00 O ATOM 1052 CB ASP A 68 8.615 -7.654 1.584 1.00 0.00 C ATOM 1053 CG ASP A 68 7.936 -8.528 2.659 1.00 0.00 C ATOM 1054 OD1 ASP A 68 7.086 -9.322 2.284 1.00 0.00 O ATOM 1055 OD2 ASP A 68 8.307 -8.352 3.809 1.00 0.00 O ATOM 0 H ASP A 68 9.745 -6.561 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 68 10.134 -9.098 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.222 -6.892 2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.849 -7.131 1.011 1.00 0.00 H new ATOM 1060 N ILE A 69 8.417 -8.792 -1.453 1.00 0.00 N ATOM 1061 CA ILE A 69 7.632 -9.594 -2.421 1.00 0.00 C ATOM 1062 C ILE A 69 8.658 -10.454 -3.131 1.00 0.00 C ATOM 1063 O ILE A 69 8.420 -11.597 -3.444 1.00 0.00 O ATOM 1064 CB ILE A 69 6.884 -8.637 -3.390 1.00 0.00 C ATOM 1065 CG1 ILE A 69 6.043 -9.406 -4.401 1.00 0.00 C ATOM 1066 CG2 ILE A 69 7.859 -7.830 -4.220 1.00 0.00 C ATOM 1067 CD1 ILE A 69 5.250 -10.495 -3.718 1.00 0.00 C ATOM 0 H ILE A 69 8.705 -7.866 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 69 6.866 -10.216 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 69 6.265 -8.003 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.365 -8.722 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.690 -9.843 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.308 -7.169 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.491 -7.234 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.481 -8.504 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.657 -11.032 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.933 -11.189 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.588 -10.051 -2.975 1.00 0.00 H new ATOM 1079 N ALA A 70 9.791 -9.856 -3.361 1.00 0.00 N ATOM 1080 CA ALA A 70 10.904 -10.576 -4.040 1.00 0.00 C ATOM 1081 C ALA A 70 11.270 -11.771 -3.140 1.00 0.00 C ATOM 1082 O ALA A 70 11.682 -12.808 -3.622 1.00 0.00 O ATOM 1083 CB ALA A 70 12.110 -9.638 -4.193 1.00 0.00 C ATOM 0 H ALA A 70 9.997 -8.890 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 70 10.612 -10.913 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.922 -10.168 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.824 -8.772 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.441 -9.308 -3.208 1.00 0.00 H new ATOM 1089 N ALA A 71 11.094 -11.573 -1.854 1.00 0.00 N ATOM 1090 CA ALA A 71 11.397 -12.628 -0.844 1.00 0.00 C ATOM 1091 C ALA A 71 10.147 -13.510 -0.668 1.00 0.00 C ATOM 1092 O ALA A 71 10.230 -14.694 -0.402 1.00 0.00 O ATOM 1093 CB ALA A 71 11.772 -11.943 0.476 1.00 0.00 C ATOM 0 H ALA A 71 10.744 -10.701 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 71 12.228 -13.255 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.997 -12.700 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.648 -11.312 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.938 -11.330 0.817 1.00 0.00 H new ATOM 1099 N TYR A 72 9.003 -12.896 -0.821 1.00 0.00 N ATOM 1100 CA TYR A 72 7.708 -13.636 -0.680 1.00 0.00 C ATOM 1101 C TYR A 72 7.600 -14.730 -1.754 1.00 0.00 C ATOM 1102 O TYR A 72 7.238 -15.856 -1.474 1.00 0.00 O ATOM 1103 CB TYR A 72 6.570 -12.662 -0.862 1.00 0.00 C ATOM 1104 CG TYR A 72 5.204 -13.356 -0.805 1.00 0.00 C ATOM 1105 CD1 TYR A 72 4.653 -13.716 0.406 1.00 0.00 C ATOM 1106 CD2 TYR A 72 4.510 -13.624 -1.971 1.00 0.00 C ATOM 1107 CE1 TYR A 72 3.427 -14.340 0.450 1.00 0.00 C ATOM 1108 CE2 TYR A 72 3.284 -14.249 -1.924 1.00 0.00 C ATOM 1109 CZ TYR A 72 2.732 -14.610 -0.712 1.00 0.00 C ATOM 1110 OH TYR A 72 1.502 -15.234 -0.654 1.00 0.00 O ATOM 0 H TYR A 72 8.907 -11.904 -1.040 1.00 0.00 H new ATOM 0 HA TYR A 72 7.665 -14.098 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.620 -11.897 -0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.678 -12.153 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.185 -13.508 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.932 -13.341 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.004 -14.621 1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.752 -14.458 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 72 1.150 -15.348 -1.561 1.00 0.00 H new ATOM 1120 N ARG A 73 7.934 -14.330 -2.954 1.00 0.00 N ATOM 1121 CA ARG A 73 7.892 -15.224 -4.141 1.00 0.00 C ATOM 1122 C ARG A 73 9.045 -16.187 -4.080 1.00 0.00 C ATOM 1123 O ARG A 73 8.901 -17.317 -4.506 1.00 0.00 O ATOM 1124 CB ARG A 73 7.986 -14.373 -5.431 1.00 0.00 C ATOM 1125 CG ARG A 73 6.747 -13.461 -5.548 1.00 0.00 C ATOM 1126 CD ARG A 73 6.852 -12.511 -6.766 1.00 0.00 C ATOM 1127 NE ARG A 73 8.056 -11.633 -6.620 1.00 0.00 N ATOM 1128 CZ ARG A 73 8.635 -11.149 -7.687 1.00 0.00 C ATOM 1129 NH1 ARG A 73 8.154 -10.048 -8.196 1.00 0.00 N ATOM 1130 NH2 ARG A 73 9.660 -11.760 -8.211 1.00 0.00 N ATOM 0 H ARG A 73 8.246 -13.381 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 73 6.956 -15.782 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.893 -13.769 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.053 -15.024 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.851 -14.074 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.639 -12.874 -4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.922 -13.091 -7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.952 -11.901 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 73 8.422 -11.414 -5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.351 -9.593 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.581 -9.642 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.013 -12.619 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.110 -11.380 -9.044 1.00 0.00 H new ATOM 1144 N ALA A 74 10.145 -15.689 -3.565 1.00 0.00 N ATOM 1145 CA ALA A 74 11.383 -16.534 -3.427 1.00 0.00 C ATOM 1146 C ALA A 74 10.943 -17.938 -2.958 1.00 0.00 C ATOM 1147 O ALA A 74 11.434 -18.955 -3.409 1.00 0.00 O ATOM 1148 CB ALA A 74 12.310 -15.906 -2.395 1.00 0.00 C ATOM 0 H ALA A 74 10.242 -14.730 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 74 11.915 -16.603 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.208 -16.516 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.588 -14.903 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.799 -15.849 -1.434 1.00 0.00 H new ATOM 1154 N LYS A 75 10.008 -17.859 -2.036 1.00 0.00 N ATOM 1155 CA LYS A 75 9.320 -18.993 -1.343 1.00 0.00 C ATOM 1156 C LYS A 75 10.121 -19.298 -0.085 1.00 0.00 C ATOM 1157 O LYS A 75 10.693 -20.359 0.090 1.00 0.00 O ATOM 1158 CB LYS A 75 9.239 -20.247 -2.273 1.00 0.00 C ATOM 1159 CG LYS A 75 8.231 -21.233 -1.641 1.00 0.00 C ATOM 1160 CD LYS A 75 8.066 -22.449 -2.568 1.00 0.00 C ATOM 1161 CE LYS A 75 7.021 -23.416 -1.974 1.00 0.00 C ATOM 1162 NZ LYS A 75 5.676 -22.770 -1.930 1.00 0.00 N ATOM 0 H LYS A 75 9.667 -16.955 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 75 8.295 -18.724 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.918 -19.961 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.219 -20.713 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.583 -21.553 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.269 -20.742 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.752 -22.123 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.022 -22.960 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.975 -24.325 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.321 -23.713 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.943 -23.500 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.631 -22.116 -1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.515 -22.243 -2.812 1.00 0.00 H new ATOM 1176 N GLY A 76 10.123 -18.305 0.761 1.00 0.00 N ATOM 1177 CA GLY A 76 10.856 -18.415 2.053 1.00 0.00 C ATOM 1178 C GLY A 76 9.956 -18.916 3.183 1.00 0.00 C ATOM 1179 O GLY A 76 10.166 -20.001 3.687 1.00 0.00 O ATOM 0 H GLY A 76 9.645 -17.416 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.700 -19.094 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.266 -17.441 2.321 1.00 0.00 H new ATOM 1183 N LYS A 77 8.981 -18.118 3.551 1.00 0.00 N ATOM 1184 CA LYS A 77 8.030 -18.496 4.657 1.00 0.00 C ATOM 1185 C LYS A 77 8.779 -18.865 5.967 1.00 0.00 C ATOM 1186 O LYS A 77 9.995 -18.846 6.000 1.00 0.00 O ATOM 1187 CB LYS A 77 7.158 -19.695 4.154 1.00 0.00 C ATOM 1188 CG LYS A 77 6.069 -19.190 3.175 1.00 0.00 C ATOM 1189 CD LYS A 77 4.941 -18.477 3.968 1.00 0.00 C ATOM 1190 CE LYS A 77 3.906 -17.873 3.001 1.00 0.00 C ATOM 1191 NZ LYS A 77 4.536 -16.783 2.199 1.00 0.00 N ATOM 0 H LYS A 77 8.798 -17.208 3.129 1.00 0.00 H new ATOM 0 HA LYS A 77 7.398 -17.641 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.790 -20.431 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.691 -20.196 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.508 -18.503 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.657 -20.027 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.453 -19.186 4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.367 -17.692 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.519 -18.647 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.058 -17.480 3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.794 -16.185 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.142 -16.204 2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.112 -17.199 1.440 1.00 0.00 H new ATOM 1205 N PRO A 78 8.060 -19.178 7.022 1.00 0.00 N ATOM 1206 CA PRO A 78 8.643 -19.829 8.226 1.00 0.00 C ATOM 1207 C PRO A 78 8.808 -21.351 8.005 1.00 0.00 C ATOM 1208 O PRO A 78 8.652 -22.121 8.933 1.00 0.00 O ATOM 1209 CB PRO A 78 7.645 -19.471 9.356 1.00 0.00 C ATOM 1210 CG PRO A 78 6.664 -18.450 8.692 1.00 0.00 C ATOM 1211 CD PRO A 78 6.616 -18.906 7.229 1.00 0.00 C ATOM 0 HA PRO A 78 9.650 -19.487 8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.117 -20.354 9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.155 -19.033 10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.678 -18.480 9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.027 -17.426 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.996 -19.791 7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.233 -18.135 6.560 1.00 0.00 H new ATOM 1219 N ASP A 79 9.123 -21.741 6.792 1.00 0.00 N ATOM 1220 CA ASP A 79 9.308 -23.191 6.472 1.00 0.00 C ATOM 1221 C ASP A 79 10.609 -23.326 5.654 1.00 0.00 C ATOM 1222 O ASP A 79 10.685 -24.049 4.679 1.00 0.00 O ATOM 1223 CB ASP A 79 8.054 -23.644 5.686 1.00 0.00 C ATOM 1224 CG ASP A 79 7.897 -25.182 5.703 1.00 0.00 C ATOM 1225 OD1 ASP A 79 8.726 -25.848 5.106 1.00 0.00 O ATOM 1226 OD2 ASP A 79 6.940 -25.615 6.325 1.00 0.00 O ATOM 0 H ASP A 79 9.261 -21.109 6.003 1.00 0.00 H new ATOM 0 HA ASP A 79 9.405 -23.822 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.166 -23.182 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.124 -23.296 4.655 1.00 0.00 H new ATOM 1231 N ALA A 80 11.601 -22.600 6.098 1.00 0.00 N ATOM 1232 CA ALA A 80 12.941 -22.605 5.436 1.00 0.00 C ATOM 1233 C ALA A 80 14.014 -22.862 6.504 1.00 0.00 C ATOM 1234 O ALA A 80 14.887 -22.048 6.733 1.00 0.00 O ATOM 1235 CB ALA A 80 13.127 -21.237 4.747 1.00 0.00 C ATOM 0 H ALA A 80 11.537 -21.989 6.912 1.00 0.00 H new ATOM 0 HA ALA A 80 13.025 -23.390 4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.098 -21.208 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 80 12.339 -21.092 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.075 -20.444 5.493 1.00 0.00 H new ATOM 1241 N ALA A 81 13.902 -24.009 7.129 1.00 0.00 N ATOM 1242 CA ALA A 81 14.867 -24.415 8.204 1.00 0.00 C ATOM 1243 C ALA A 81 15.704 -25.645 7.790 1.00 0.00 C ATOM 1244 O ALA A 81 15.428 -26.179 6.727 1.00 0.00 O ATOM 1245 CB ALA A 81 14.062 -24.727 9.479 1.00 0.00 C ATOM 1246 OXT ALA A 81 16.582 -25.984 8.569 1.00 0.00 O ATOM 0 H ALA A 81 13.171 -24.694 6.937 1.00 0.00 H new ATOM 0 HA ALA A 81 15.567 -23.598 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.744 -25.025 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.510 -23.839 9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.362 -25.538 9.278 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -8.040 9.230 3.104 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.757 10.110 1.883 1.00 0.00 C HETATM 1255 O1 BME A 82 -8.140 7.917 2.569 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.229 9.795 0.969 1.00 0.00 S HETATM 0 HO1 BME A 82 -7.599 7.854 1.754 1.00 0.00 H new HETATM 0 H22 BME A 82 -8.592 10.004 1.190 1.00 0.00 H new HETATM 0 H21 BME A 82 -7.745 11.149 2.212 1.00 0.00 H new HETATM 0 H12 BME A 82 -7.239 9.301 3.840 1.00 0.00 H new HETATM 0 H11 BME A 82 -8.961 9.528 3.605 1.00 0.00 H new