USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 396 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 51 SER OG : rot 180:sc= -0.994 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -7.88! C(o=-8.9!,f=-1.8!) USER MOD Set 2.1: A 17 THR OG1 : rot 130:sc= 0.0407 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.888 K(o=-0.37,f=-5.5!) USER MOD Set 2.3: A 36 ASN : amide:sc= 0.476 K(o=-0.37,f=-1.3) USER MOD Set 3.1: A 26 SER OG : rot -81:sc= 0.465 USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= -1.12 USER MOD Set 4.1: A 11 TYR OH : rot -9:sc= -3.01! USER MOD Set 4.2: A 34 LYS NZ :NH3+ -155:sc= 0.218 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -138:sc= 0.113 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 9 SER OG : rot -45:sc= 0.508 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.63! C(o=-2.6!,f=-3.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -28:sc= 1.43 USER MOD Single : A 31 TYR OH : rot 50:sc= -0.382 USER MOD Single : A 39 ASN : amide:sc= -3.62 K(o=-3.6,f=-7.6!) USER MOD Single : A 44 SER OG : rot 2:sc= -6.04! USER MOD Single : A 45 ASN : amide:sc= -8.68! C(o=-8.7!,f=-8.4!) USER MOD Single : A 47 THR OG1 : rot -44:sc= 0.0311 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.600 20.347 -0.969 1.00 0.00 N ATOM 2 CA LEU A 1 5.488 19.205 -1.328 1.00 0.00 C ATOM 3 C LEU A 1 4.781 18.308 -2.344 1.00 0.00 C ATOM 4 O LEU A 1 3.742 18.650 -2.872 1.00 0.00 O ATOM 5 CB LEU A 1 5.808 18.393 -0.072 1.00 0.00 C ATOM 6 CG LEU A 1 6.791 19.170 0.803 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.106 19.562 2.113 1.00 0.00 C ATOM 8 CD2 LEU A 1 8.005 18.289 1.106 1.00 0.00 C ATOM 0 H1 LEU A 1 5.161 21.222 -0.924 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.857 20.449 -1.689 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.162 20.168 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 1 6.412 19.588 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.893 18.189 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 1 6.235 17.429 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 1 7.115 20.069 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.806 20.116 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.239 20.187 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.784 18.663 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.708 18.841 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.681 17.391 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.492 18.007 0.173 1.00 0.00 H new ATOM 22 N ALA A 2 5.335 17.158 -2.618 1.00 0.00 N ATOM 23 CA ALA A 2 4.694 16.236 -3.596 1.00 0.00 C ATOM 24 C ALA A 2 3.750 15.286 -2.856 1.00 0.00 C ATOM 25 O ALA A 2 2.545 15.362 -2.988 1.00 0.00 O ATOM 26 CB ALA A 2 5.772 15.424 -4.317 1.00 0.00 C ATOM 0 H ALA A 2 6.204 16.818 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 2 4.129 16.816 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.302 14.749 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.445 16.100 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.338 14.843 -3.589 1.00 0.00 H new ATOM 32 N ALA A 3 4.290 14.389 -2.076 1.00 0.00 N ATOM 33 CA ALA A 3 3.427 13.434 -1.324 1.00 0.00 C ATOM 34 C ALA A 3 4.298 12.325 -0.728 1.00 0.00 C ATOM 35 O ALA A 3 5.360 12.020 -1.231 1.00 0.00 O ATOM 36 CB ALA A 3 2.397 12.816 -2.273 1.00 0.00 C ATOM 0 H ALA A 3 5.293 14.276 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 3 2.910 13.964 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.767 12.118 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.777 13.604 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.912 12.285 -3.073 1.00 0.00 H new ATOM 42 N VAL A 4 3.856 11.720 0.341 1.00 0.00 N ATOM 43 CA VAL A 4 4.664 10.631 0.965 1.00 0.00 C ATOM 44 C VAL A 4 3.944 9.292 0.776 1.00 0.00 C ATOM 45 O VAL A 4 3.303 8.790 1.677 1.00 0.00 O ATOM 46 CB VAL A 4 4.844 10.903 2.464 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.240 10.456 2.896 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.684 12.400 2.749 1.00 0.00 C ATOM 0 H VAL A 4 2.974 11.931 0.808 1.00 0.00 H new ATOM 0 HA VAL A 4 5.643 10.595 0.488 1.00 0.00 H new ATOM 0 HB VAL A 4 4.088 10.349 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.370 10.648 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.357 9.390 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.990 11.011 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.813 12.583 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.435 12.959 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.689 12.724 2.443 1.00 0.00 H new ATOM 58 N SER A 5 4.045 8.710 -0.388 1.00 0.00 N ATOM 59 CA SER A 5 3.366 7.406 -0.629 1.00 0.00 C ATOM 60 C SER A 5 4.400 6.367 -1.068 1.00 0.00 C ATOM 61 O SER A 5 5.592 6.588 -0.982 1.00 0.00 O ATOM 62 CB SER A 5 2.315 7.574 -1.727 1.00 0.00 C ATOM 63 OG SER A 5 1.300 6.592 -1.561 1.00 0.00 O ATOM 0 H SER A 5 4.568 9.081 -1.181 1.00 0.00 H new ATOM 0 HA SER A 5 2.882 7.073 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.881 8.573 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.778 7.472 -2.708 1.00 0.00 H new ATOM 0 HG SER A 5 0.624 6.698 -2.262 1.00 0.00 H new ATOM 69 N VAL A 6 3.954 5.233 -1.534 1.00 0.00 N ATOM 70 CA VAL A 6 4.912 4.180 -1.975 1.00 0.00 C ATOM 71 C VAL A 6 4.813 4.013 -3.498 1.00 0.00 C ATOM 72 O VAL A 6 4.274 4.854 -4.189 1.00 0.00 O ATOM 73 CB VAL A 6 4.572 2.860 -1.263 1.00 0.00 C ATOM 74 CG1 VAL A 6 3.486 2.104 -2.036 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.828 1.992 -1.166 1.00 0.00 C ATOM 0 H VAL A 6 2.968 4.990 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 6 5.932 4.466 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 6 4.203 3.084 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.255 1.172 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.587 2.718 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.842 1.884 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.586 1.057 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.200 1.778 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.594 2.522 -0.600 1.00 0.00 H new ATOM 85 N ASP A 7 5.323 2.934 -4.025 1.00 0.00 N ATOM 86 CA ASP A 7 5.253 2.713 -5.496 1.00 0.00 C ATOM 87 C ASP A 7 4.379 1.490 -5.779 1.00 0.00 C ATOM 88 O ASP A 7 4.538 0.449 -5.171 1.00 0.00 O ATOM 89 CB ASP A 7 6.661 2.471 -6.044 1.00 0.00 C ATOM 90 CG ASP A 7 6.607 2.389 -7.570 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.684 3.429 -8.202 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.491 1.287 -8.081 1.00 0.00 O ATOM 0 H ASP A 7 5.787 2.194 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 7 4.824 3.591 -5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.326 3.278 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.069 1.547 -5.634 1.00 0.00 H new ATOM 97 N CYS A 8 3.455 1.602 -6.694 1.00 0.00 N ATOM 98 CA CYS A 8 2.573 0.441 -7.004 1.00 0.00 C ATOM 99 C CYS A 8 2.212 0.450 -8.491 1.00 0.00 C ATOM 100 O CYS A 8 1.063 0.312 -8.861 1.00 0.00 O ATOM 101 CB CYS A 8 1.295 0.536 -6.169 1.00 0.00 C ATOM 102 SG CYS A 8 1.705 1.128 -4.507 1.00 0.00 S ATOM 0 H CYS A 8 3.273 2.445 -7.239 1.00 0.00 H new ATOM 0 HA CYS A 8 3.097 -0.484 -6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.587 1.215 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.812 -0.439 -6.111 1.00 0.00 H new ATOM 107 N SER A 9 3.185 0.608 -9.345 1.00 0.00 N ATOM 108 CA SER A 9 2.900 0.622 -10.807 1.00 0.00 C ATOM 109 C SER A 9 2.986 -0.804 -11.352 1.00 0.00 C ATOM 110 O SER A 9 3.123 -1.020 -12.540 1.00 0.00 O ATOM 111 CB SER A 9 3.927 1.503 -11.515 1.00 0.00 C ATOM 112 OG SER A 9 3.520 1.705 -12.862 1.00 0.00 O ATOM 0 H SER A 9 4.166 0.728 -9.093 1.00 0.00 H new ATOM 0 HA SER A 9 1.900 1.019 -10.982 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.017 2.461 -11.002 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.910 1.032 -11.486 1.00 0.00 H new ATOM 0 HG SER A 9 3.236 0.851 -13.250 1.00 0.00 H new ATOM 118 N GLU A 10 2.910 -1.780 -10.489 1.00 0.00 N ATOM 119 CA GLU A 10 2.987 -3.195 -10.949 1.00 0.00 C ATOM 120 C GLU A 10 1.872 -4.001 -10.279 1.00 0.00 C ATOM 121 O GLU A 10 1.878 -5.216 -10.287 1.00 0.00 O ATOM 122 CB GLU A 10 4.348 -3.778 -10.562 1.00 0.00 C ATOM 123 CG GLU A 10 5.452 -3.045 -11.330 1.00 0.00 C ATOM 124 CD GLU A 10 5.814 -1.750 -10.600 1.00 0.00 C ATOM 125 OE1 GLU A 10 5.498 -1.647 -9.425 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.403 -0.885 -11.226 1.00 0.00 O ATOM 0 H GLU A 10 2.798 -1.658 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 10 2.869 -3.241 -12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.508 -3.677 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.378 -4.844 -10.789 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.332 -3.682 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.117 -2.822 -12.343 1.00 0.00 H new ATOM 133 N TYR A 11 0.917 -3.328 -9.694 1.00 0.00 N ATOM 134 CA TYR A 11 -0.196 -4.027 -9.018 1.00 0.00 C ATOM 135 C TYR A 11 -1.409 -4.075 -9.961 1.00 0.00 C ATOM 136 O TYR A 11 -1.492 -3.311 -10.903 1.00 0.00 O ATOM 137 CB TYR A 11 -0.525 -3.261 -7.734 1.00 0.00 C ATOM 138 CG TYR A 11 0.593 -3.476 -6.741 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.691 -2.607 -6.729 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.542 -4.549 -5.841 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.735 -2.808 -5.821 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.591 -4.751 -4.933 1.00 0.00 C ATOM 143 CZ TYR A 11 2.685 -3.879 -4.924 1.00 0.00 C ATOM 144 OH TYR A 11 3.717 -4.080 -4.032 1.00 0.00 O ATOM 0 H TYR A 11 0.867 -2.310 -9.660 1.00 0.00 H new ATOM 0 HA TYR A 11 0.077 -5.052 -8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.642 -2.198 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.471 -3.608 -7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.731 -1.780 -7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.305 -5.220 -5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.580 -2.136 -5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.555 -5.579 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 11 4.461 -3.482 -4.253 1.00 0.00 H new ATOM 154 N PRO A 12 -2.294 -4.999 -9.692 1.00 0.00 N ATOM 155 CA PRO A 12 -2.162 -5.907 -8.543 1.00 0.00 C ATOM 156 C PRO A 12 -1.118 -6.993 -8.817 1.00 0.00 C ATOM 157 O PRO A 12 -0.891 -7.390 -9.943 1.00 0.00 O ATOM 158 CB PRO A 12 -3.558 -6.518 -8.401 1.00 0.00 C ATOM 159 CG PRO A 12 -4.233 -6.380 -9.788 1.00 0.00 C ATOM 160 CD PRO A 12 -3.491 -5.245 -10.522 1.00 0.00 C ATOM 0 HA PRO A 12 -1.829 -5.396 -7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.496 -7.564 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.134 -5.999 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.166 -7.313 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.293 -6.147 -9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.219 -5.537 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.110 -4.352 -10.603 1.00 0.00 H new ATOM 168 N LYS A 13 -0.483 -7.467 -7.782 1.00 0.00 N ATOM 169 CA LYS A 13 0.553 -8.524 -7.946 1.00 0.00 C ATOM 170 C LYS A 13 -0.064 -9.887 -7.606 1.00 0.00 C ATOM 171 O LYS A 13 -0.918 -9.977 -6.748 1.00 0.00 O ATOM 172 CB LYS A 13 1.706 -8.233 -6.987 1.00 0.00 C ATOM 173 CG LYS A 13 3.018 -8.129 -7.767 1.00 0.00 C ATOM 174 CD LYS A 13 4.174 -8.606 -6.887 1.00 0.00 C ATOM 175 CE LYS A 13 5.505 -8.272 -7.563 1.00 0.00 C ATOM 176 NZ LYS A 13 5.743 -9.224 -8.685 1.00 0.00 N ATOM 0 H LYS A 13 -0.639 -7.164 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 13 0.920 -8.537 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.518 -7.304 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.778 -9.024 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.964 -8.733 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.187 -7.099 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.121 -8.128 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.098 -9.681 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.489 -7.248 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.318 -8.334 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.648 -8.998 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.776 -10.195 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.972 -9.143 -9.378 1.00 0.00 H new ATOM 190 N PRO A 14 0.386 -10.908 -8.295 1.00 0.00 N ATOM 191 CA PRO A 14 -0.108 -12.286 -8.087 1.00 0.00 C ATOM 192 C PRO A 14 0.520 -12.908 -6.836 1.00 0.00 C ATOM 193 O PRO A 14 0.439 -14.100 -6.611 1.00 0.00 O ATOM 194 CB PRO A 14 0.342 -13.019 -9.353 1.00 0.00 C ATOM 195 CG PRO A 14 1.523 -12.207 -9.932 1.00 0.00 C ATOM 196 CD PRO A 14 1.413 -10.786 -9.352 1.00 0.00 C ATOM 0 HA PRO A 14 -1.186 -12.335 -7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.648 -14.039 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.473 -13.086 -10.073 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.475 -12.663 -9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.479 -12.184 -11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.366 -10.446 -8.945 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.117 -10.066 -10.115 1.00 0.00 H new ATOM 204 N ALA A 15 1.137 -12.104 -6.024 1.00 0.00 N ATOM 205 CA ALA A 15 1.771 -12.621 -4.780 1.00 0.00 C ATOM 206 C ALA A 15 2.196 -11.435 -3.916 1.00 0.00 C ATOM 207 O ALA A 15 3.135 -10.731 -4.230 1.00 0.00 O ATOM 208 CB ALA A 15 2.999 -13.458 -5.142 1.00 0.00 C ATOM 0 H ALA A 15 1.232 -11.099 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 15 1.063 -13.244 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.463 -13.836 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.696 -14.296 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.714 -12.839 -5.683 1.00 0.00 H new ATOM 214 N CYS A 16 1.507 -11.196 -2.833 1.00 0.00 N ATOM 215 CA CYS A 16 1.873 -10.044 -1.967 1.00 0.00 C ATOM 216 C CYS A 16 3.069 -10.418 -1.097 1.00 0.00 C ATOM 217 O CYS A 16 3.165 -11.521 -0.596 1.00 0.00 O ATOM 218 CB CYS A 16 0.691 -9.668 -1.068 1.00 0.00 C ATOM 219 SG CYS A 16 -0.592 -8.879 -2.066 1.00 0.00 S ATOM 0 H CYS A 16 0.710 -11.747 -2.513 1.00 0.00 H new ATOM 0 HA CYS A 16 2.130 -9.193 -2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.293 -10.558 -0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.020 -8.993 -0.278 1.00 0.00 H new ATOM 224 N THR A 17 3.979 -9.504 -0.914 1.00 0.00 N ATOM 225 CA THR A 17 5.168 -9.802 -0.073 1.00 0.00 C ATOM 226 C THR A 17 4.703 -10.449 1.229 1.00 0.00 C ATOM 227 O THR A 17 3.522 -10.555 1.493 1.00 0.00 O ATOM 228 CB THR A 17 5.909 -8.500 0.236 1.00 0.00 C ATOM 229 OG1 THR A 17 4.982 -7.423 0.256 1.00 0.00 O ATOM 230 CG2 THR A 17 6.964 -8.248 -0.840 1.00 0.00 C ATOM 0 H THR A 17 3.950 -8.565 -1.310 1.00 0.00 H new ATOM 0 HA THR A 17 5.838 -10.480 -0.602 1.00 0.00 H new ATOM 0 HB THR A 17 6.395 -8.578 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.103 -6.903 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.493 -7.320 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.673 -9.075 -0.855 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.479 -8.168 -1.813 1.00 0.00 H new ATOM 238 N LEU A 18 5.616 -10.885 2.048 1.00 0.00 N ATOM 239 CA LEU A 18 5.204 -11.523 3.326 1.00 0.00 C ATOM 240 C LEU A 18 5.557 -10.603 4.496 1.00 0.00 C ATOM 241 O LEU A 18 4.823 -10.511 5.460 1.00 0.00 O ATOM 242 CB LEU A 18 5.927 -12.863 3.489 1.00 0.00 C ATOM 243 CG LEU A 18 5.256 -13.921 2.610 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.322 -14.853 2.027 1.00 0.00 C ATOM 245 CD2 LEU A 18 4.274 -14.736 3.454 1.00 0.00 C ATOM 0 H LEU A 18 6.622 -10.828 1.890 1.00 0.00 H new ATOM 0 HA LEU A 18 4.128 -11.694 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.976 -12.758 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.903 -13.175 4.533 1.00 0.00 H new ATOM 0 HG LEU A 18 4.719 -13.431 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.844 -15.606 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.023 -14.273 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.860 -15.344 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.795 -15.490 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.811 -15.226 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.514 -14.074 3.869 1.00 0.00 H new ATOM 257 N GLU A 19 6.667 -9.915 4.422 1.00 0.00 N ATOM 258 CA GLU A 19 7.044 -9.002 5.538 1.00 0.00 C ATOM 259 C GLU A 19 5.808 -8.209 5.957 1.00 0.00 C ATOM 260 O GLU A 19 4.879 -8.046 5.193 1.00 0.00 O ATOM 261 CB GLU A 19 8.143 -8.040 5.079 1.00 0.00 C ATOM 262 CG GLU A 19 7.875 -7.596 3.639 1.00 0.00 C ATOM 263 CD GLU A 19 8.861 -8.292 2.699 1.00 0.00 C ATOM 264 OE1 GLU A 19 10.044 -8.282 3.000 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.419 -8.821 1.692 1.00 0.00 O ATOM 0 H GLU A 19 7.324 -9.946 3.642 1.00 0.00 H new ATOM 0 HA GLU A 19 7.419 -9.584 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.177 -7.171 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.116 -8.527 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.851 -7.841 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.978 -6.514 3.555 1.00 0.00 H new ATOM 272 N TYR A 20 5.775 -7.724 7.167 1.00 0.00 N ATOM 273 CA TYR A 20 4.579 -6.962 7.615 1.00 0.00 C ATOM 274 C TYR A 20 4.815 -5.459 7.456 1.00 0.00 C ATOM 275 O TYR A 20 5.726 -4.894 8.028 1.00 0.00 O ATOM 276 CB TYR A 20 4.286 -7.280 9.082 1.00 0.00 C ATOM 277 CG TYR A 20 2.950 -6.689 9.471 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.867 -6.750 8.582 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.792 -6.080 10.722 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.632 -6.202 8.943 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.554 -5.532 11.083 1.00 0.00 C ATOM 282 CZ TYR A 20 0.474 -5.593 10.193 1.00 0.00 C ATOM 283 OH TYR A 20 -0.746 -5.055 10.550 1.00 0.00 O ATOM 0 H TYR A 20 6.518 -7.822 7.859 1.00 0.00 H new ATOM 0 HA TYR A 20 3.728 -7.253 7.000 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.277 -8.359 9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.074 -6.874 9.717 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.987 -7.221 7.617 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.624 -6.033 11.409 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.200 -6.249 8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.432 -5.062 12.048 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.684 -4.672 11.450 1.00 0.00 H new ATOM 293 N ARG A 21 3.983 -4.812 6.688 1.00 0.00 N ATOM 294 CA ARG A 21 4.128 -3.344 6.484 1.00 0.00 C ATOM 295 C ARG A 21 2.730 -2.726 6.425 1.00 0.00 C ATOM 296 O ARG A 21 2.186 -2.513 5.361 1.00 0.00 O ATOM 297 CB ARG A 21 4.870 -3.079 5.175 1.00 0.00 C ATOM 298 CG ARG A 21 6.173 -3.881 5.161 1.00 0.00 C ATOM 299 CD ARG A 21 6.906 -3.645 3.840 1.00 0.00 C ATOM 300 NE ARG A 21 8.327 -3.299 4.118 1.00 0.00 N ATOM 301 CZ ARG A 21 8.706 -2.050 4.122 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.229 -1.227 5.016 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.559 -1.624 3.232 1.00 0.00 N ATOM 0 H ARG A 21 3.203 -5.241 6.189 1.00 0.00 H new ATOM 0 HA ARG A 21 4.696 -2.903 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.247 -3.361 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.083 -2.015 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.805 -3.582 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.960 -4.943 5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.853 -4.538 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.426 -2.840 3.284 1.00 0.00 H new ATOM 0 HE ARG A 21 9.005 -4.038 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.561 -1.560 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.525 -0.251 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.930 -2.267 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.855 -0.648 3.235 1.00 0.00 H new ATOM 317 N PRO A 22 2.184 -2.464 7.580 1.00 0.00 N ATOM 318 CA PRO A 22 0.834 -1.891 7.702 1.00 0.00 C ATOM 319 C PRO A 22 0.792 -0.460 7.200 1.00 0.00 C ATOM 320 O PRO A 22 1.116 0.451 7.920 1.00 0.00 O ATOM 321 CB PRO A 22 0.543 -1.954 9.209 1.00 0.00 C ATOM 322 CG PRO A 22 1.915 -2.073 9.909 1.00 0.00 C ATOM 323 CD PRO A 22 2.875 -2.678 8.870 1.00 0.00 C ATOM 0 HA PRO A 22 0.098 -2.430 7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.013 -1.061 9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.091 -2.808 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.268 -1.097 10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.848 -2.707 10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.847 -2.185 8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.051 -3.737 9.058 1.00 0.00 H new ATOM 331 N LEU A 23 0.380 -0.236 5.979 1.00 0.00 N ATOM 332 CA LEU A 23 0.317 1.158 5.502 1.00 0.00 C ATOM 333 C LEU A 23 -1.116 1.631 5.644 1.00 0.00 C ATOM 334 O LEU A 23 -2.013 1.124 5.000 1.00 0.00 O ATOM 335 CB LEU A 23 0.739 1.225 4.042 1.00 0.00 C ATOM 336 CG LEU A 23 1.869 0.231 3.796 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.833 -0.204 2.346 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.210 0.894 4.094 1.00 0.00 C ATOM 0 H LEU A 23 0.091 -0.950 5.310 1.00 0.00 H new ATOM 0 HA LEU A 23 0.988 1.790 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.109 0.996 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.067 2.234 3.793 1.00 0.00 H new ATOM 0 HG LEU A 23 1.745 -0.635 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.638 -0.915 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.874 -0.676 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.961 0.666 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.016 0.181 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.341 1.758 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.233 1.217 5.135 1.00 0.00 H new ATOM 350 N CYS A 24 -1.350 2.599 6.476 1.00 0.00 N ATOM 351 CA CYS A 24 -2.741 3.083 6.630 1.00 0.00 C ATOM 352 C CYS A 24 -3.035 3.955 5.435 1.00 0.00 C ATOM 353 O CYS A 24 -2.363 4.931 5.206 1.00 0.00 O ATOM 354 CB CYS A 24 -2.896 3.902 7.914 1.00 0.00 C ATOM 355 SG CYS A 24 -4.054 3.055 9.014 1.00 0.00 S ATOM 0 H CYS A 24 -0.650 3.070 7.048 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.430 2.241 6.692 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.930 4.021 8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.261 4.902 7.681 1.00 0.00 H new ATOM 360 N GLY A 25 -4.002 3.602 4.646 1.00 0.00 N ATOM 361 CA GLY A 25 -4.284 4.428 3.455 1.00 0.00 C ATOM 362 C GLY A 25 -4.658 5.835 3.914 1.00 0.00 C ATOM 363 O GLY A 25 -4.411 6.215 5.040 1.00 0.00 O ATOM 0 H GLY A 25 -4.602 2.787 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.411 4.462 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.097 3.991 2.876 1.00 0.00 H new ATOM 367 N SER A 26 -5.280 6.599 3.063 1.00 0.00 N ATOM 368 CA SER A 26 -5.692 7.969 3.471 1.00 0.00 C ATOM 369 C SER A 26 -7.104 7.907 4.064 1.00 0.00 C ATOM 370 O SER A 26 -7.558 8.831 4.710 1.00 0.00 O ATOM 371 CB SER A 26 -5.698 8.890 2.251 1.00 0.00 C ATOM 372 OG SER A 26 -6.271 8.204 1.144 1.00 0.00 O ATOM 0 H SER A 26 -5.520 6.336 2.107 1.00 0.00 H new ATOM 0 HA SER A 26 -4.992 8.357 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.267 9.794 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.681 9.203 2.013 1.00 0.00 H new ATOM 0 HG SER A 26 -5.598 7.618 0.738 1.00 0.00 H new ATOM 378 N ASP A 27 -7.804 6.826 3.838 1.00 0.00 N ATOM 379 CA ASP A 27 -9.189 6.705 4.376 1.00 0.00 C ATOM 380 C ASP A 27 -9.173 5.944 5.703 1.00 0.00 C ATOM 381 O ASP A 27 -10.210 5.644 6.257 1.00 0.00 O ATOM 382 CB ASP A 27 -10.061 5.948 3.372 1.00 0.00 C ATOM 383 CG ASP A 27 -9.544 4.516 3.226 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.443 4.354 2.727 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.257 3.607 3.614 1.00 0.00 O ATOM 0 H ASP A 27 -7.475 6.022 3.304 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.594 7.704 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.098 5.939 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.044 6.453 2.406 1.00 0.00 H new ATOM 390 N ASN A 28 -8.006 5.630 6.209 1.00 0.00 N ATOM 391 CA ASN A 28 -7.909 4.887 7.505 1.00 0.00 C ATOM 392 C ASN A 28 -8.037 3.381 7.252 1.00 0.00 C ATOM 393 O ASN A 28 -8.465 2.634 8.110 1.00 0.00 O ATOM 394 CB ASN A 28 -9.021 5.344 8.457 1.00 0.00 C ATOM 395 CG ASN A 28 -8.678 4.935 9.890 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.668 5.344 10.426 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.487 4.144 10.540 1.00 0.00 N ATOM 0 H ASN A 28 -7.110 5.858 5.777 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.941 5.096 7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.142 6.426 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.971 4.900 8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.271 3.869 11.498 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.335 3.800 10.090 1.00 0.00 H new ATOM 404 N LYS A 29 -7.659 2.926 6.087 1.00 0.00 N ATOM 405 CA LYS A 29 -7.748 1.466 5.787 1.00 0.00 C ATOM 406 C LYS A 29 -6.362 0.839 5.954 1.00 0.00 C ATOM 407 O LYS A 29 -5.502 0.978 5.107 1.00 0.00 O ATOM 408 CB LYS A 29 -8.228 1.262 4.349 1.00 0.00 C ATOM 409 CG LYS A 29 -9.155 0.045 4.289 1.00 0.00 C ATOM 410 CD LYS A 29 -8.505 -1.053 3.444 1.00 0.00 C ATOM 411 CE LYS A 29 -8.830 -2.422 4.045 1.00 0.00 C ATOM 412 NZ LYS A 29 -9.288 -3.342 2.964 1.00 0.00 N ATOM 0 H LYS A 29 -7.292 3.502 5.329 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.454 0.995 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.754 2.151 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.375 1.116 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.352 -0.325 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.116 0.328 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.868 -0.999 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.425 -0.907 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.949 -2.833 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.604 -2.323 4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.509 -4.273 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.139 -2.950 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.535 -3.445 2.254 1.00 0.00 H new ATOM 426 N THR A 30 -6.133 0.159 7.042 1.00 0.00 N ATOM 427 CA THR A 30 -4.795 -0.459 7.264 1.00 0.00 C ATOM 428 C THR A 30 -4.577 -1.623 6.294 1.00 0.00 C ATOM 429 O THR A 30 -5.323 -2.581 6.275 1.00 0.00 O ATOM 430 CB THR A 30 -4.696 -0.979 8.699 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.837 0.106 9.605 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.336 -1.649 8.905 1.00 0.00 C ATOM 0 H THR A 30 -6.813 0.004 7.787 1.00 0.00 H new ATOM 0 HA THR A 30 -4.031 0.299 7.092 1.00 0.00 H new ATOM 0 HB THR A 30 -5.488 -1.706 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.518 0.930 9.181 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.264 -2.020 9.927 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.231 -2.481 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.542 -0.924 8.726 1.00 0.00 H new ATOM 440 N TYR A 31 -3.539 -1.551 5.508 1.00 0.00 N ATOM 441 CA TYR A 31 -3.235 -2.651 4.552 1.00 0.00 C ATOM 442 C TYR A 31 -2.130 -3.512 5.162 1.00 0.00 C ATOM 443 O TYR A 31 -1.100 -3.011 5.567 1.00 0.00 O ATOM 444 CB TYR A 31 -2.781 -2.049 3.222 1.00 0.00 C ATOM 445 CG TYR A 31 -3.974 -1.438 2.524 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.445 -0.179 2.916 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.611 -2.129 1.486 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.549 0.390 2.270 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.715 -1.559 0.839 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.184 -0.300 1.230 1.00 0.00 C ATOM 451 OH TYR A 31 -7.271 0.260 0.593 1.00 0.00 O ATOM 0 H TYR A 31 -2.883 -0.770 5.487 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.116 -3.265 4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.017 -1.291 3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.332 -2.819 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.956 0.354 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.251 -3.102 1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.911 1.361 2.574 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.205 -2.092 0.037 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.056 1.178 0.325 1.00 0.00 H new ATOM 461 N GLY A 32 -2.357 -4.796 5.268 1.00 0.00 N ATOM 462 CA GLY A 32 -1.345 -5.691 5.896 1.00 0.00 C ATOM 463 C GLY A 32 0.067 -5.276 5.489 1.00 0.00 C ATOM 464 O GLY A 32 0.877 -4.918 6.322 1.00 0.00 O ATOM 0 H GLY A 32 -3.204 -5.263 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.442 -5.654 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.527 -6.723 5.595 1.00 0.00 H new ATOM 468 N ASN A 33 0.379 -5.311 4.223 1.00 0.00 N ATOM 469 CA ASN A 33 1.751 -4.904 3.808 1.00 0.00 C ATOM 470 C ASN A 33 1.691 -3.989 2.594 1.00 0.00 C ATOM 471 O ASN A 33 0.661 -3.453 2.244 1.00 0.00 O ATOM 472 CB ASN A 33 2.617 -6.127 3.491 1.00 0.00 C ATOM 473 CG ASN A 33 2.012 -6.940 2.349 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.008 -6.562 1.782 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.595 -8.052 1.988 1.00 0.00 N ATOM 0 H ASN A 33 -0.245 -5.599 3.469 1.00 0.00 H new ATOM 0 HA ASN A 33 2.203 -4.365 4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.623 -5.806 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.710 -6.752 4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.206 -8.607 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.439 -8.365 2.468 1.00 0.00 H new ATOM 482 N LYS A 34 2.813 -3.789 1.979 1.00 0.00 N ATOM 483 CA LYS A 34 2.901 -2.891 0.809 1.00 0.00 C ATOM 484 C LYS A 34 2.135 -3.448 -0.394 1.00 0.00 C ATOM 485 O LYS A 34 1.637 -2.697 -1.205 1.00 0.00 O ATOM 486 CB LYS A 34 4.375 -2.731 0.459 1.00 0.00 C ATOM 487 CG LYS A 34 5.084 -4.083 0.583 1.00 0.00 C ATOM 488 CD LYS A 34 5.993 -4.297 -0.627 1.00 0.00 C ATOM 489 CE LYS A 34 5.139 -4.625 -1.850 1.00 0.00 C ATOM 490 NZ LYS A 34 5.998 -5.229 -2.906 1.00 0.00 N ATOM 0 H LYS A 34 3.696 -4.223 2.247 1.00 0.00 H new ATOM 0 HA LYS A 34 2.449 -1.931 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.478 -2.347 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.840 -2.003 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.670 -4.115 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.350 -4.886 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.586 -3.402 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.694 -5.108 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.341 -5.315 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.662 -3.720 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.567 -5.068 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.940 -4.790 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.088 -6.251 -2.738 1.00 0.00 H new ATOM 504 N CYS A 35 2.030 -4.739 -0.538 1.00 0.00 N ATOM 505 CA CYS A 35 1.282 -5.272 -1.708 1.00 0.00 C ATOM 506 C CYS A 35 -0.211 -5.050 -1.478 1.00 0.00 C ATOM 507 O CYS A 35 -0.982 -4.933 -2.408 1.00 0.00 O ATOM 508 CB CYS A 35 1.562 -6.765 -1.878 1.00 0.00 C ATOM 509 SG CYS A 35 0.410 -7.460 -3.093 1.00 0.00 S ATOM 0 H CYS A 35 2.423 -5.438 0.093 1.00 0.00 H new ATOM 0 HA CYS A 35 1.601 -4.754 -2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.590 -6.918 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.453 -7.278 -0.922 1.00 0.00 H new ATOM 514 N ASN A 36 -0.622 -4.982 -0.243 1.00 0.00 N ATOM 515 CA ASN A 36 -2.064 -4.752 0.048 1.00 0.00 C ATOM 516 C ASN A 36 -2.368 -3.265 -0.136 1.00 0.00 C ATOM 517 O ASN A 36 -3.339 -2.893 -0.764 1.00 0.00 O ATOM 518 CB ASN A 36 -2.376 -5.170 1.488 1.00 0.00 C ATOM 519 CG ASN A 36 -2.777 -6.649 1.517 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.948 -6.974 1.502 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.848 -7.566 1.561 1.00 0.00 N ATOM 0 H ASN A 36 -0.022 -5.076 0.577 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.679 -5.344 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.505 -5.006 2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.182 -4.556 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.106 -8.553 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.865 -7.296 1.574 1.00 0.00 H new ATOM 528 N PHE A 37 -1.536 -2.410 0.396 1.00 0.00 N ATOM 529 CA PHE A 37 -1.773 -0.949 0.237 1.00 0.00 C ATOM 530 C PHE A 37 -1.664 -0.591 -1.222 1.00 0.00 C ATOM 531 O PHE A 37 -2.369 0.249 -1.753 1.00 0.00 O ATOM 532 CB PHE A 37 -0.695 -0.150 0.963 1.00 0.00 C ATOM 533 CG PHE A 37 -1.040 1.300 0.818 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.298 1.782 1.168 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.099 2.140 0.241 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.616 3.128 0.937 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.401 3.484 0.015 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.666 3.983 0.359 1.00 0.00 C ATOM 0 H PHE A 37 -0.705 -2.661 0.932 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.758 -0.718 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.652 -0.431 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.287 -0.355 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.026 1.122 1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.871 1.753 -0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.592 3.506 1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.338 4.138 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.907 5.020 0.180 1.00 0.00 H new ATOM 548 N CYS A 38 -0.747 -1.218 -1.850 1.00 0.00 N ATOM 549 CA CYS A 38 -0.498 -0.937 -3.286 1.00 0.00 C ATOM 550 C CYS A 38 -1.677 -1.425 -4.118 1.00 0.00 C ATOM 551 O CYS A 38 -2.149 -0.733 -4.986 1.00 0.00 O ATOM 552 CB CYS A 38 0.777 -1.644 -3.746 1.00 0.00 C ATOM 553 SG CYS A 38 2.195 -0.548 -3.493 1.00 0.00 S ATOM 0 H CYS A 38 -0.141 -1.927 -1.437 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.379 0.138 -3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.915 -2.570 -3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.696 -1.916 -4.799 1.00 0.00 H new ATOM 558 N ASN A 39 -2.161 -2.605 -3.860 1.00 0.00 N ATOM 559 CA ASN A 39 -3.318 -3.108 -4.648 1.00 0.00 C ATOM 560 C ASN A 39 -4.423 -2.055 -4.619 1.00 0.00 C ATOM 561 O ASN A 39 -5.049 -1.774 -5.619 1.00 0.00 O ATOM 562 CB ASN A 39 -3.832 -4.412 -4.034 1.00 0.00 C ATOM 563 CG ASN A 39 -2.884 -5.554 -4.397 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.341 -5.588 -5.483 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.664 -6.500 -3.527 1.00 0.00 N ATOM 0 H ASN A 39 -1.809 -3.240 -3.143 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.013 -3.298 -5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.902 -4.314 -2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.836 -4.628 -4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.035 -7.269 -3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.120 -6.471 -2.615 1.00 0.00 H new ATOM 572 N ALA A 40 -4.655 -1.462 -3.477 1.00 0.00 N ATOM 573 CA ALA A 40 -5.711 -0.415 -3.376 1.00 0.00 C ATOM 574 C ALA A 40 -5.327 0.772 -4.262 1.00 0.00 C ATOM 575 O ALA A 40 -6.170 1.421 -4.850 1.00 0.00 O ATOM 576 CB ALA A 40 -5.827 0.050 -1.922 1.00 0.00 C ATOM 0 H ALA A 40 -4.157 -1.659 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.667 -0.823 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.599 0.816 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.092 -0.797 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.873 0.463 -1.595 1.00 0.00 H new ATOM 582 N VAL A 41 -4.059 1.057 -4.362 1.00 0.00 N ATOM 583 CA VAL A 41 -3.610 2.197 -5.212 1.00 0.00 C ATOM 584 C VAL A 41 -3.882 1.888 -6.691 1.00 0.00 C ATOM 585 O VAL A 41 -4.411 2.702 -7.421 1.00 0.00 O ATOM 586 CB VAL A 41 -2.104 2.399 -5.017 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.607 3.515 -5.941 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.821 2.776 -3.562 1.00 0.00 C ATOM 0 H VAL A 41 -3.311 0.548 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.155 3.097 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.584 1.472 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.535 3.655 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.803 3.243 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.129 4.442 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.749 2.919 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.345 3.700 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.167 1.978 -2.905 1.00 0.00 H new ATOM 598 N VAL A 42 -3.490 0.729 -7.138 1.00 0.00 N ATOM 599 CA VAL A 42 -3.673 0.354 -8.560 1.00 0.00 C ATOM 600 C VAL A 42 -5.114 -0.097 -8.846 1.00 0.00 C ATOM 601 O VAL A 42 -5.507 -0.219 -9.990 1.00 0.00 O ATOM 602 CB VAL A 42 -2.699 -0.781 -8.866 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.996 -1.979 -7.964 1.00 0.00 C ATOM 604 CG2 VAL A 42 -2.845 -1.191 -10.323 1.00 0.00 C ATOM 0 H VAL A 42 -3.042 0.015 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.478 1.220 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.680 -0.441 -8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.297 -2.785 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.888 -1.684 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.015 -2.323 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.151 -2.001 -10.544 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.866 -1.528 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.624 -0.338 -10.965 1.00 0.00 H new ATOM 614 N GLU A 43 -5.912 -0.336 -7.839 1.00 0.00 N ATOM 615 CA GLU A 43 -7.309 -0.756 -8.092 1.00 0.00 C ATOM 616 C GLU A 43 -8.192 0.489 -8.135 1.00 0.00 C ATOM 617 O GLU A 43 -9.310 0.459 -8.610 1.00 0.00 O ATOM 618 CB GLU A 43 -7.796 -1.687 -6.976 1.00 0.00 C ATOM 619 CG GLU A 43 -7.498 -1.117 -5.613 1.00 0.00 C ATOM 620 CD GLU A 43 -8.733 -0.390 -5.078 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.732 -0.368 -5.779 1.00 0.00 O ATOM 622 OE2 GLU A 43 -8.659 0.130 -3.978 1.00 0.00 O ATOM 0 H GLU A 43 -5.652 -0.257 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.361 -1.291 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.869 -1.848 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.316 -2.661 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.209 -1.915 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.656 -0.428 -5.672 1.00 0.00 H new ATOM 629 N SER A 44 -7.692 1.584 -7.633 1.00 0.00 N ATOM 630 CA SER A 44 -8.489 2.840 -7.629 1.00 0.00 C ATOM 631 C SER A 44 -7.884 3.823 -8.634 1.00 0.00 C ATOM 632 O SER A 44 -7.679 4.980 -8.337 1.00 0.00 O ATOM 633 CB SER A 44 -8.454 3.446 -6.224 1.00 0.00 C ATOM 634 OG SER A 44 -8.779 4.827 -6.296 1.00 0.00 O ATOM 0 H SER A 44 -6.761 1.662 -7.224 1.00 0.00 H new ATOM 0 HA SER A 44 -9.521 2.630 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.161 2.928 -5.575 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.465 3.317 -5.785 1.00 0.00 H new ATOM 0 HG SER A 44 -8.976 5.069 -7.225 1.00 0.00 H new ATOM 640 N ASN A 45 -7.584 3.359 -9.816 1.00 0.00 N ATOM 641 CA ASN A 45 -6.973 4.245 -10.852 1.00 0.00 C ATOM 642 C ASN A 45 -5.844 5.062 -10.217 1.00 0.00 C ATOM 643 O ASN A 45 -5.738 6.258 -10.408 1.00 0.00 O ATOM 644 CB ASN A 45 -8.026 5.184 -11.467 1.00 0.00 C ATOM 645 CG ASN A 45 -8.959 5.735 -10.385 1.00 0.00 C ATOM 646 OD1 ASN A 45 -9.787 5.019 -9.858 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.866 6.989 -10.038 1.00 0.00 N ATOM 0 H ASN A 45 -7.737 2.395 -10.113 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.571 3.623 -11.652 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.530 6.008 -11.980 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.607 4.646 -12.216 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.488 7.368 -9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.171 7.590 -10.480 1.00 0.00 H new ATOM 654 N GLY A 46 -5.001 4.410 -9.463 1.00 0.00 N ATOM 655 CA GLY A 46 -3.863 5.108 -8.799 1.00 0.00 C ATOM 656 C GLY A 46 -4.313 6.476 -8.294 1.00 0.00 C ATOM 657 O GLY A 46 -3.637 7.471 -8.468 1.00 0.00 O ATOM 0 H GLY A 46 -5.054 3.409 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.493 4.508 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.037 5.224 -9.501 1.00 0.00 H new ATOM 661 N THR A 47 -5.443 6.525 -7.657 1.00 0.00 N ATOM 662 CA THR A 47 -5.939 7.821 -7.116 1.00 0.00 C ATOM 663 C THR A 47 -5.998 7.735 -5.588 1.00 0.00 C ATOM 664 O THR A 47 -6.270 8.706 -4.910 1.00 0.00 O ATOM 665 CB THR A 47 -7.333 8.125 -7.686 1.00 0.00 C ATOM 666 OG1 THR A 47 -7.611 9.509 -7.524 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.403 7.302 -6.958 1.00 0.00 C ATOM 0 H THR A 47 -6.049 5.723 -7.485 1.00 0.00 H new ATOM 0 HA THR A 47 -5.263 8.625 -7.407 1.00 0.00 H new ATOM 0 HB THR A 47 -7.348 7.861 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.346 9.793 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.384 7.530 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.193 6.240 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.393 7.550 -5.897 1.00 0.00 H new ATOM 675 N LEU A 48 -5.751 6.573 -5.045 1.00 0.00 N ATOM 676 CA LEU A 48 -5.794 6.401 -3.578 1.00 0.00 C ATOM 677 C LEU A 48 -4.508 6.955 -2.964 1.00 0.00 C ATOM 678 O LEU A 48 -3.414 6.633 -3.381 1.00 0.00 O ATOM 679 CB LEU A 48 -5.921 4.894 -3.284 1.00 0.00 C ATOM 680 CG LEU A 48 -5.344 4.540 -1.908 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.415 4.748 -0.847 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.900 3.077 -1.907 1.00 0.00 C ATOM 0 H LEU A 48 -5.519 5.729 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.640 6.937 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.970 4.601 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.400 4.326 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.488 5.179 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.010 4.498 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.735 5.790 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.269 4.106 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.489 2.822 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.756 2.437 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.137 2.928 -2.671 1.00 0.00 H new ATOM 694 N THR A 49 -4.642 7.754 -1.948 1.00 0.00 N ATOM 695 CA THR A 49 -3.446 8.300 -1.262 1.00 0.00 C ATOM 696 C THR A 49 -3.411 7.676 0.126 1.00 0.00 C ATOM 697 O THR A 49 -4.358 7.038 0.539 1.00 0.00 O ATOM 698 CB THR A 49 -3.550 9.823 -1.150 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.227 10.161 0.053 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.326 10.374 -2.347 1.00 0.00 C ATOM 0 H THR A 49 -5.537 8.054 -1.561 1.00 0.00 H new ATOM 0 HA THR A 49 -2.538 8.069 -1.819 1.00 0.00 H new ATOM 0 HB THR A 49 -2.550 10.256 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.294 11.136 0.128 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.399 11.458 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.806 10.114 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.327 9.943 -2.361 1.00 0.00 H new ATOM 708 N LEU A 50 -2.338 7.799 0.843 1.00 0.00 N ATOM 709 CA LEU A 50 -2.302 7.154 2.164 1.00 0.00 C ATOM 710 C LEU A 50 -2.217 8.192 3.290 1.00 0.00 C ATOM 711 O LEU A 50 -2.067 9.377 3.066 1.00 0.00 O ATOM 712 CB LEU A 50 -1.114 6.174 2.164 1.00 0.00 C ATOM 713 CG LEU A 50 0.044 6.623 3.062 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.525 5.411 3.838 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.190 7.152 2.197 1.00 0.00 C ATOM 0 H LEU A 50 -1.498 8.311 0.573 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.224 6.604 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.461 5.194 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.749 6.057 1.144 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.284 7.412 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.351 5.699 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.292 5.018 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.862 4.643 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.012 7.471 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.535 6.363 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.840 7.999 1.608 1.00 0.00 H new ATOM 727 N SER A 51 -2.325 7.723 4.499 1.00 0.00 N ATOM 728 CA SER A 51 -2.271 8.608 5.694 1.00 0.00 C ATOM 729 C SER A 51 -0.888 8.540 6.303 1.00 0.00 C ATOM 730 O SER A 51 -0.435 9.450 6.963 1.00 0.00 O ATOM 731 CB SER A 51 -3.332 8.130 6.687 1.00 0.00 C ATOM 732 OG SER A 51 -3.456 9.055 7.758 1.00 0.00 O ATOM 0 H SER A 51 -2.452 6.734 4.715 1.00 0.00 H new ATOM 0 HA SER A 51 -2.472 9.645 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.291 8.019 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.061 7.148 7.075 1.00 0.00 H new ATOM 0 HG SER A 51 -4.138 8.739 8.386 1.00 0.00 H new ATOM 738 N HIS A 52 -0.215 7.468 6.048 1.00 0.00 N ATOM 739 CA HIS A 52 1.173 7.299 6.575 1.00 0.00 C ATOM 740 C HIS A 52 1.558 5.818 6.588 1.00 0.00 C ATOM 741 O HIS A 52 0.713 4.939 6.571 1.00 0.00 O ATOM 742 CB HIS A 52 1.276 7.848 8.002 1.00 0.00 C ATOM 743 CG HIS A 52 0.128 7.338 8.824 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.237 6.200 9.606 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.153 7.798 9.000 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.946 6.011 10.214 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.832 6.957 9.880 1.00 0.00 N ATOM 0 H HIS A 52 -0.562 6.687 5.492 1.00 0.00 H new ATOM 0 HA HIS A 52 1.851 7.850 5.923 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.221 7.544 8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.267 8.938 7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.570 8.676 8.529 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.156 5.195 10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.796 7.044 10.200 1.00 0.00 H new ATOM 755 N PHE A 53 2.835 5.537 6.628 1.00 0.00 N ATOM 756 CA PHE A 53 3.291 4.121 6.651 1.00 0.00 C ATOM 757 C PHE A 53 3.219 3.582 8.081 1.00 0.00 C ATOM 758 O PHE A 53 3.938 4.013 8.960 1.00 0.00 O ATOM 759 CB PHE A 53 4.734 4.038 6.161 1.00 0.00 C ATOM 760 CG PHE A 53 4.781 4.287 4.672 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.352 5.515 4.158 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.253 3.292 3.808 1.00 0.00 C ATOM 763 CE1 PHE A 53 4.396 5.750 2.779 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.297 3.527 2.429 1.00 0.00 C ATOM 765 CZ PHE A 53 4.868 4.756 1.914 1.00 0.00 C ATOM 0 H PHE A 53 3.582 6.232 6.646 1.00 0.00 H new ATOM 0 HA PHE A 53 2.647 3.528 6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.348 4.773 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.150 3.056 6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.987 6.282 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.583 2.343 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.066 6.699 2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.662 2.760 1.762 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.901 4.937 0.850 1.00 0.00 H new ATOM 775 N GLY A 54 2.348 2.645 8.313 1.00 0.00 N ATOM 776 CA GLY A 54 2.194 2.060 9.661 1.00 0.00 C ATOM 777 C GLY A 54 0.704 1.890 9.947 1.00 0.00 C ATOM 778 O GLY A 54 -0.137 2.189 9.121 1.00 0.00 O ATOM 0 H GLY A 54 1.725 2.254 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.703 1.098 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.652 2.707 10.409 1.00 0.00 H new ATOM 782 N LYS A 55 0.376 1.446 11.113 1.00 0.00 N ATOM 783 CA LYS A 55 -1.063 1.292 11.471 1.00 0.00 C ATOM 784 C LYS A 55 -1.608 2.666 11.878 1.00 0.00 C ATOM 785 O LYS A 55 -0.889 3.500 12.390 1.00 0.00 O ATOM 786 CB LYS A 55 -1.251 0.303 12.637 1.00 0.00 C ATOM 787 CG LYS A 55 0.096 -0.214 13.150 1.00 0.00 C ATOM 788 CD LYS A 55 -0.141 -1.279 14.224 1.00 0.00 C ATOM 789 CE LYS A 55 -0.235 -0.611 15.597 1.00 0.00 C ATOM 790 NZ LYS A 55 -1.445 -1.107 16.311 1.00 0.00 N ATOM 0 H LYS A 55 1.037 1.180 11.843 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.601 0.898 10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.788 0.793 13.449 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.864 -0.536 12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.673 -0.635 12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.681 0.609 13.562 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.059 -1.827 14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.672 -2.005 14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.659 -0.829 16.181 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.285 0.472 15.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.508 -0.652 17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.294 -0.878 15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.379 -2.138 16.432 1.00 0.00 H new ATOM 804 N CYS A 56 -2.866 2.911 11.644 1.00 0.00 N ATOM 805 CA CYS A 56 -3.447 4.236 12.008 1.00 0.00 C ATOM 806 C CYS A 56 -3.282 4.479 13.508 1.00 0.00 C ATOM 807 O CYS A 56 -3.013 3.522 14.217 1.00 0.00 O ATOM 808 CB CYS A 56 -4.933 4.262 11.645 1.00 0.00 C ATOM 809 SG CYS A 56 -5.112 4.549 9.866 1.00 0.00 S ATOM 810 OXT CYS A 56 -3.425 5.616 13.923 1.00 0.00 O ATOM 0 H CYS A 56 -3.518 2.253 11.217 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.926 5.019 11.458 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.403 3.318 11.921 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.442 5.047 12.204 1.00 0.00 H new TER 815 CYS A 56