USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 778 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 75 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 HIS : no HE2:sc= 0 X(o=0,f=-0.33) USER MOD Set 2.1: A 1 MET N :NH3+ 148:sc= 1.27 (180deg=0.24) USER MOD Set 2.2: A 91 LYS NZ :NH3+ -153:sc= -2.05! (180deg=-4.12!) USER MOD Single : A 1 MET CE :methyl 136:sc= -0.278 (180deg=-1.13) USER MOD Single : A 3 SER OG : rot 63:sc= 0.0742 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 25:sc= 1.1 USER MOD Single : A 16 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 18 THR OG1 : rot -87:sc= 0.451 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= -1.35 (180deg=-2.77!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -60:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-5.9!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 165:sc= -0.302 USER MOD Single : A 63 THR OG1 : rot 87:sc= 1.3 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0108 (180deg=-0.21) USER MOD Single : A 67 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.1!) USER MOD Single : A 70 GLN : amide:sc= -1.71 K(o=-1.7,f=-5!) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -0.0867 (180deg=-0.59) USER MOD Single : A 73 ASN : amide:sc= -1.84! C(o=-1.8!,f=-2.3!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0744 (180deg=-0.342) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= -0.0244 (180deg=-0.208) USER MOD Single : A 93 MET CE :methyl -166:sc= -0.0554 (180deg=-0.387) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.371 -2.395 13.670 1.00 0.00 N ATOM 2 CA MET A 1 -8.499 -1.195 13.751 1.00 0.00 C ATOM 3 C MET A 1 -8.045 -0.756 12.364 1.00 0.00 C ATOM 4 O MET A 1 -7.681 -1.584 11.528 1.00 0.00 O ATOM 5 CB MET A 1 -7.275 -1.487 14.623 1.00 0.00 C ATOM 6 CG MET A 1 -7.620 -1.891 16.048 1.00 0.00 C ATOM 7 SD MET A 1 -8.180 -3.601 16.175 1.00 0.00 S ATOM 8 CE MET A 1 -6.712 -4.480 15.642 1.00 0.00 C ATOM 0 H1 MET A 1 -9.235 -2.981 14.519 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.366 -2.098 13.610 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.123 -2.948 12.825 1.00 0.00 H new ATOM 0 HA MET A 1 -9.079 -0.388 14.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.692 -2.284 14.160 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.640 -0.602 14.650 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.744 -1.752 16.682 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.398 -1.230 16.430 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.535 -5.327 16.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.853 -4.840 14.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.854 -3.808 15.674 1.00 0.00 H new ATOM 20 N GLU A 2 -8.071 0.552 12.124 1.00 0.00 N ATOM 21 CA GLU A 2 -7.660 1.102 10.838 1.00 0.00 C ATOM 22 C GLU A 2 -6.188 0.807 10.571 1.00 0.00 C ATOM 23 O GLU A 2 -5.770 0.673 9.421 1.00 0.00 O ATOM 24 CB GLU A 2 -7.908 2.613 10.792 1.00 0.00 C ATOM 25 CG GLU A 2 -7.017 3.414 11.731 1.00 0.00 C ATOM 26 CD GLU A 2 -7.322 3.159 13.193 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.232 3.823 13.735 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.651 2.297 13.799 1.00 0.00 O ATOM 0 H GLU A 2 -8.373 1.250 12.804 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.258 0.625 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.754 2.966 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.951 2.808 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.974 3.166 11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.137 4.477 11.520 1.00 0.00 H new ATOM 35 N SER A 3 -5.405 0.713 11.643 1.00 0.00 N ATOM 36 CA SER A 3 -3.978 0.433 11.529 1.00 0.00 C ATOM 37 C SER A 3 -3.741 -0.920 10.869 1.00 0.00 C ATOM 38 O SER A 3 -2.767 -1.104 10.141 1.00 0.00 O ATOM 39 CB SER A 3 -3.317 0.463 12.907 1.00 0.00 C ATOM 40 OG SER A 3 -3.483 1.726 13.527 1.00 0.00 O ATOM 0 H SER A 3 -5.736 0.827 12.601 1.00 0.00 H new ATOM 0 HA SER A 3 -3.532 1.206 10.904 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.749 -0.314 13.537 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.255 0.240 12.809 1.00 0.00 H new ATOM 0 HG SER A 3 -4.437 1.894 13.677 1.00 0.00 H new ATOM 46 N GLU A 4 -4.636 -1.866 11.131 1.00 0.00 N ATOM 47 CA GLU A 4 -4.524 -3.202 10.563 1.00 0.00 C ATOM 48 C GLU A 4 -4.919 -3.202 9.089 1.00 0.00 C ATOM 49 O GLU A 4 -4.412 -3.999 8.301 1.00 0.00 O ATOM 50 CB GLU A 4 -5.401 -4.187 11.340 1.00 0.00 C ATOM 51 CG GLU A 4 -5.326 -5.612 10.819 1.00 0.00 C ATOM 52 CD GLU A 4 -6.191 -6.568 11.617 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.388 -6.702 11.286 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.671 -7.183 12.571 1.00 0.00 O ATOM 0 H GLU A 4 -5.448 -1.731 11.734 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.483 -3.516 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.103 -4.176 12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.436 -3.848 11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.638 -5.631 9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.291 -5.952 10.849 1.00 0.00 H new ATOM 61 N TYR A 5 -5.828 -2.304 8.727 1.00 0.00 N ATOM 62 CA TYR A 5 -6.292 -2.201 7.349 1.00 0.00 C ATOM 63 C TYR A 5 -5.223 -1.576 6.456 1.00 0.00 C ATOM 64 O TYR A 5 -5.084 -1.945 5.292 1.00 0.00 O ATOM 65 CB TYR A 5 -7.581 -1.378 7.285 1.00 0.00 C ATOM 66 CG TYR A 5 -8.123 -1.203 5.884 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.700 -2.268 5.203 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.056 0.027 5.242 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.194 -2.111 3.921 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.548 0.191 3.963 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.115 -0.880 3.307 1.00 0.00 C ATOM 72 OH TYR A 5 -9.605 -0.720 2.032 1.00 0.00 O ATOM 0 H TYR A 5 -6.258 -1.637 9.368 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.495 -3.208 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.340 -1.860 7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.396 -0.395 7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.764 -3.234 5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.612 0.869 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.639 -2.948 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.489 1.154 3.478 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.473 0.208 1.745 1.00 0.00 H new ATOM 82 N ARG A 6 -4.469 -0.632 7.010 1.00 0.00 N ATOM 83 CA ARG A 6 -3.414 0.041 6.257 1.00 0.00 C ATOM 84 C ARG A 6 -2.133 -0.790 6.229 1.00 0.00 C ATOM 85 O ARG A 6 -1.443 -0.850 5.212 1.00 0.00 O ATOM 86 CB ARG A 6 -3.126 1.419 6.863 1.00 0.00 C ATOM 87 CG ARG A 6 -2.668 1.363 8.312 1.00 0.00 C ATOM 88 CD ARG A 6 -2.257 2.732 8.823 1.00 0.00 C ATOM 89 NE ARG A 6 -1.719 2.672 10.179 1.00 0.00 N ATOM 90 CZ ARG A 6 -0.556 3.211 10.539 1.00 0.00 C ATOM 91 NH1 ARG A 6 0.195 3.835 9.643 1.00 0.00 N ATOM 92 NH2 ARG A 6 -0.143 3.121 11.796 1.00 0.00 N ATOM 0 H ARG A 6 -4.568 -0.316 7.975 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.764 0.163 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.360 1.916 6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.026 2.030 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.472 0.969 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.829 0.674 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.509 3.158 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.119 3.399 8.804 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.266 2.189 10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.117 3.903 8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.085 4.247 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.716 2.639 12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.748 3.534 12.071 1.00 0.00 H new ATOM 106 N GLU A 7 -1.822 -1.431 7.352 1.00 0.00 N ATOM 107 CA GLU A 7 -0.616 -2.247 7.461 1.00 0.00 C ATOM 108 C GLU A 7 -0.709 -3.510 6.609 1.00 0.00 C ATOM 109 O GLU A 7 0.183 -3.795 5.810 1.00 0.00 O ATOM 110 CB GLU A 7 -0.363 -2.627 8.921 1.00 0.00 C ATOM 111 CG GLU A 7 0.903 -3.443 9.129 1.00 0.00 C ATOM 112 CD GLU A 7 1.141 -3.790 10.586 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.812 -2.999 11.283 1.00 0.00 O ATOM 114 OE2 GLU A 7 0.659 -4.854 11.030 1.00 0.00 O ATOM 0 H GLU A 7 -2.388 -1.401 8.200 1.00 0.00 H new ATOM 0 HA GLU A 7 0.217 -1.650 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.301 -1.717 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.216 -3.195 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.838 -4.362 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.758 -2.884 8.748 1.00 0.00 H new ATOM 121 N MET A 8 -1.790 -4.263 6.784 1.00 0.00 N ATOM 122 CA MET A 8 -1.982 -5.503 6.040 1.00 0.00 C ATOM 123 C MET A 8 -2.088 -5.247 4.539 1.00 0.00 C ATOM 124 O MET A 8 -1.411 -5.898 3.746 1.00 0.00 O ATOM 125 CB MET A 8 -3.232 -6.236 6.532 1.00 0.00 C ATOM 126 CG MET A 8 -3.372 -7.638 5.958 1.00 0.00 C ATOM 127 SD MET A 8 -1.913 -8.654 6.262 1.00 0.00 S ATOM 128 CE MET A 8 -2.252 -10.066 5.213 1.00 0.00 C ATOM 0 H MET A 8 -2.544 -4.037 7.432 1.00 0.00 H new ATOM 0 HA MET A 8 -1.107 -6.128 6.216 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.204 -6.297 7.620 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.114 -5.653 6.268 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.246 -8.121 6.396 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.548 -7.572 4.884 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.436 -10.784 5.294 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.183 -10.538 5.528 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.344 -9.737 4.178 1.00 0.00 H new ATOM 138 N LEU A 9 -2.928 -4.289 4.158 1.00 0.00 N ATOM 139 CA LEU A 9 -3.131 -3.960 2.748 1.00 0.00 C ATOM 140 C LEU A 9 -1.812 -3.609 2.066 1.00 0.00 C ATOM 141 O LEU A 9 -1.527 -4.088 0.967 1.00 0.00 O ATOM 142 CB LEU A 9 -4.124 -2.795 2.620 1.00 0.00 C ATOM 143 CG LEU A 9 -4.624 -2.476 1.202 1.00 0.00 C ATOM 144 CD1 LEU A 9 -3.587 -1.682 0.424 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.992 -3.752 0.453 1.00 0.00 C ATOM 0 H LEU A 9 -3.480 -3.726 4.805 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.541 -4.838 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.989 -3.013 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.654 -1.899 3.026 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.521 -1.864 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.966 -1.470 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.383 -0.745 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.667 -2.262 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.343 -3.498 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.115 -4.395 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.781 -4.276 0.992 1.00 0.00 H new ATOM 157 N LEU A 10 -1.014 -2.773 2.717 1.00 0.00 N ATOM 158 CA LEU A 10 0.270 -2.360 2.164 1.00 0.00 C ATOM 159 C LEU A 10 1.212 -3.548 1.986 1.00 0.00 C ATOM 160 O LEU A 10 1.678 -3.820 0.880 1.00 0.00 O ATOM 161 CB LEU A 10 0.924 -1.307 3.066 1.00 0.00 C ATOM 162 CG LEU A 10 0.760 0.145 2.604 1.00 0.00 C ATOM 163 CD1 LEU A 10 1.500 0.376 1.294 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.713 0.503 2.454 1.00 0.00 C ATOM 0 H LEU A 10 -1.232 -2.368 3.627 1.00 0.00 H new ATOM 0 HA LEU A 10 0.082 -1.927 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.506 -1.401 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.989 -1.529 3.142 1.00 0.00 H new ATOM 0 HG LEU A 10 1.193 0.794 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.372 1.412 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.561 0.167 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.098 -0.286 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.804 1.538 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.174 -0.154 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.217 0.381 3.413 1.00 0.00 H new ATOM 176 N LEU A 11 1.481 -4.259 3.077 1.00 0.00 N ATOM 177 CA LEU A 11 2.385 -5.406 3.042 1.00 0.00 C ATOM 178 C LEU A 11 1.888 -6.496 2.091 1.00 0.00 C ATOM 179 O LEU A 11 2.676 -7.309 1.610 1.00 0.00 O ATOM 180 CB LEU A 11 2.588 -5.968 4.456 1.00 0.00 C ATOM 181 CG LEU A 11 1.438 -6.811 5.021 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.580 -8.272 4.616 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.389 -6.685 6.537 1.00 0.00 C ATOM 0 H LEU A 11 1.086 -4.062 3.997 1.00 0.00 H new ATOM 0 HA LEU A 11 3.345 -5.059 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.492 -6.577 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.766 -5.133 5.134 1.00 0.00 H new ATOM 0 HG LEU A 11 0.504 -6.434 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.751 -8.847 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.569 -8.351 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.522 -8.666 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.568 -7.288 6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.330 -7.035 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.234 -5.641 6.811 1.00 0.00 H new ATOM 195 N THR A 12 0.581 -6.514 1.827 1.00 0.00 N ATOM 196 CA THR A 12 -0.005 -7.512 0.931 1.00 0.00 C ATOM 197 C THR A 12 0.716 -7.544 -0.415 1.00 0.00 C ATOM 198 O THR A 12 0.727 -8.569 -1.100 1.00 0.00 O ATOM 199 CB THR A 12 -1.507 -7.243 0.688 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.230 -7.333 1.919 1.00 0.00 O ATOM 201 CG2 THR A 12 -2.087 -8.236 -0.310 1.00 0.00 C ATOM 0 H THR A 12 -0.089 -5.852 2.219 1.00 0.00 H new ATOM 0 HA THR A 12 0.110 -8.477 1.424 1.00 0.00 H new ATOM 0 HB THR A 12 -1.604 -6.238 0.278 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.624 -7.153 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.145 -8.023 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.559 -8.148 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.972 -9.249 0.076 1.00 0.00 H new ATOM 209 N GLY A 13 1.321 -6.422 -0.789 1.00 0.00 N ATOM 210 CA GLY A 13 2.026 -6.352 -2.057 1.00 0.00 C ATOM 211 C GLY A 13 3.534 -6.319 -1.895 1.00 0.00 C ATOM 212 O GLY A 13 4.255 -6.989 -2.632 1.00 0.00 O ATOM 0 H GLY A 13 1.336 -5.563 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.750 -7.212 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.704 -5.461 -2.597 1.00 0.00 H new ATOM 216 N LEU A 14 4.014 -5.541 -0.927 1.00 0.00 N ATOM 217 CA LEU A 14 5.449 -5.419 -0.681 1.00 0.00 C ATOM 218 C LEU A 14 6.094 -6.776 -0.400 1.00 0.00 C ATOM 219 O LEU A 14 7.153 -7.090 -0.944 1.00 0.00 O ATOM 220 CB LEU A 14 5.713 -4.473 0.498 1.00 0.00 C ATOM 221 CG LEU A 14 5.637 -2.973 0.180 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.592 -2.610 -0.947 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.215 -2.569 -0.173 1.00 0.00 C ATOM 0 H LEU A 14 3.431 -4.986 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 14 5.897 -5.009 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.993 -4.695 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.703 -4.691 0.900 1.00 0.00 H new ATOM 0 HG LEU A 14 5.938 -2.423 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.521 -1.542 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.612 -2.855 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.328 -3.172 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.184 -1.502 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.883 -3.131 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.556 -2.784 0.668 1.00 0.00 H new ATOM 235 N ASP A 15 5.454 -7.574 0.449 1.00 0.00 N ATOM 236 CA ASP A 15 5.980 -8.890 0.804 1.00 0.00 C ATOM 237 C ASP A 15 5.654 -9.930 -0.264 1.00 0.00 C ATOM 238 O ASP A 15 5.846 -11.128 -0.054 1.00 0.00 O ATOM 239 CB ASP A 15 5.418 -9.339 2.154 1.00 0.00 C ATOM 240 CG ASP A 15 5.886 -8.459 3.298 1.00 0.00 C ATOM 241 OD1 ASP A 15 5.304 -7.371 3.485 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.835 -8.859 4.004 1.00 0.00 O ATOM 0 H ASP A 15 4.573 -7.334 0.903 1.00 0.00 H new ATOM 0 HA ASP A 15 7.064 -8.804 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.329 -9.328 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.719 -10.369 2.345 1.00 0.00 H new ATOM 247 N HIS A 16 5.164 -9.469 -1.410 1.00 0.00 N ATOM 248 CA HIS A 16 4.814 -10.368 -2.506 1.00 0.00 C ATOM 249 C HIS A 16 5.417 -9.888 -3.822 1.00 0.00 C ATOM 250 O HIS A 16 5.013 -10.330 -4.898 1.00 0.00 O ATOM 251 CB HIS A 16 3.295 -10.484 -2.633 1.00 0.00 C ATOM 252 CG HIS A 16 2.659 -11.243 -1.509 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.136 -12.511 -1.635 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.470 -10.887 -0.212 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.656 -12.878 -0.439 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.834 -11.929 0.459 1.00 0.00 N ATOM 0 H HIS A 16 5.000 -8.481 -1.605 1.00 0.00 H new ATOM 0 HA HIS A 16 5.227 -11.351 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.864 -9.484 -2.675 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.053 -10.975 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.766 -9.946 0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.184 -13.828 -0.237 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.562 -11.953 1.442 1.00 0.00 H new ATOM 264 N ILE A 17 6.391 -8.988 -3.730 1.00 0.00 N ATOM 265 CA ILE A 17 7.052 -8.454 -4.915 1.00 0.00 C ATOM 266 C ILE A 17 8.570 -8.489 -4.762 1.00 0.00 C ATOM 267 O ILE A 17 9.090 -8.631 -3.656 1.00 0.00 O ATOM 268 CB ILE A 17 6.608 -7.007 -5.205 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.926 -6.102 -4.011 1.00 0.00 C ATOM 270 CG2 ILE A 17 5.122 -6.966 -5.533 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.659 -4.635 -4.276 1.00 0.00 C ATOM 0 H ILE A 17 6.740 -8.614 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 17 6.760 -9.089 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 17 7.160 -6.638 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.333 -6.422 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.974 -6.229 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.822 -5.938 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.926 -7.581 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.552 -7.350 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.906 -4.054 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.272 -4.299 -5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.606 -4.495 -4.519 1.00 0.00 H new ATOM 283 N THR A 18 9.273 -8.359 -5.883 1.00 0.00 N ATOM 284 CA THR A 18 10.732 -8.379 -5.881 1.00 0.00 C ATOM 285 C THR A 18 11.300 -7.001 -5.553 1.00 0.00 C ATOM 286 O THR A 18 10.586 -6.001 -5.600 1.00 0.00 O ATOM 287 CB THR A 18 11.284 -8.842 -7.242 1.00 0.00 C ATOM 288 OG1 THR A 18 10.820 -7.972 -8.281 1.00 0.00 O ATOM 289 CG2 THR A 18 10.854 -10.270 -7.539 1.00 0.00 C ATOM 0 H THR A 18 8.855 -8.239 -6.806 1.00 0.00 H new ATOM 0 HA THR A 18 11.041 -9.086 -5.111 1.00 0.00 H new ATOM 0 HB THR A 18 12.373 -8.807 -7.200 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.951 -8.287 -8.607 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.255 -10.577 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.233 -10.933 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.766 -10.325 -7.564 1.00 0.00 H new ATOM 297 N GLU A 19 12.588 -6.958 -5.225 1.00 0.00 N ATOM 298 CA GLU A 19 13.253 -5.703 -4.881 1.00 0.00 C ATOM 299 C GLU A 19 13.262 -4.736 -6.061 1.00 0.00 C ATOM 300 O GLU A 19 13.008 -3.543 -5.898 1.00 0.00 O ATOM 301 CB GLU A 19 14.687 -5.969 -4.418 1.00 0.00 C ATOM 302 CG GLU A 19 14.773 -6.743 -3.112 1.00 0.00 C ATOM 303 CD GLU A 19 14.120 -6.010 -1.956 1.00 0.00 C ATOM 304 OE1 GLU A 19 14.792 -5.157 -1.340 1.00 0.00 O ATOM 305 OE2 GLU A 19 12.938 -6.290 -1.667 1.00 0.00 O ATOM 0 H GLU A 19 13.193 -7.778 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 19 12.691 -5.244 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.213 -6.524 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.204 -5.017 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.295 -7.715 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.820 -6.931 -2.873 1.00 0.00 H new ATOM 312 N GLU A 20 13.562 -5.256 -7.247 1.00 0.00 N ATOM 313 CA GLU A 20 13.606 -4.434 -8.453 1.00 0.00 C ATOM 314 C GLU A 20 12.249 -3.793 -8.729 1.00 0.00 C ATOM 315 O GLU A 20 12.165 -2.601 -9.023 1.00 0.00 O ATOM 316 CB GLU A 20 14.045 -5.278 -9.654 1.00 0.00 C ATOM 317 CG GLU A 20 13.213 -6.534 -9.855 1.00 0.00 C ATOM 318 CD GLU A 20 13.657 -7.342 -11.059 1.00 0.00 C ATOM 319 OE1 GLU A 20 14.577 -8.174 -10.910 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.083 -7.144 -12.151 1.00 0.00 O ATOM 0 H GLU A 20 13.778 -6.241 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 20 14.333 -3.637 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.989 -4.668 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 20 15.090 -5.562 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.278 -7.155 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.166 -6.256 -9.975 1.00 0.00 H new ATOM 327 N GLU A 21 11.187 -4.587 -8.628 1.00 0.00 N ATOM 328 CA GLU A 21 9.837 -4.091 -8.866 1.00 0.00 C ATOM 329 C GLU A 21 9.391 -3.180 -7.727 1.00 0.00 C ATOM 330 O GLU A 21 8.581 -2.273 -7.923 1.00 0.00 O ATOM 331 CB GLU A 21 8.858 -5.257 -9.021 1.00 0.00 C ATOM 332 CG GLU A 21 9.196 -6.182 -10.179 1.00 0.00 C ATOM 333 CD GLU A 21 8.219 -7.334 -10.311 1.00 0.00 C ATOM 334 OE1 GLU A 21 8.374 -8.330 -9.573 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.300 -7.241 -11.152 1.00 0.00 O ATOM 0 H GLU A 21 11.236 -5.576 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 21 9.844 -3.514 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.844 -5.835 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.853 -4.861 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.203 -5.609 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.202 -6.578 -10.041 1.00 0.00 H new ATOM 342 N LEU A 22 9.929 -3.429 -6.537 1.00 0.00 N ATOM 343 CA LEU A 22 9.597 -2.633 -5.361 1.00 0.00 C ATOM 344 C LEU A 22 10.157 -1.222 -5.508 1.00 0.00 C ATOM 345 O LEU A 22 9.523 -0.242 -5.115 1.00 0.00 O ATOM 346 CB LEU A 22 10.165 -3.300 -4.101 1.00 0.00 C ATOM 347 CG LEU A 22 9.430 -2.985 -2.794 1.00 0.00 C ATOM 348 CD1 LEU A 22 9.892 -3.921 -1.687 1.00 0.00 C ATOM 349 CD2 LEU A 22 9.647 -1.537 -2.386 1.00 0.00 C ATOM 0 H LEU A 22 10.599 -4.178 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 22 8.513 -2.571 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.158 -4.380 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.207 -3.000 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 22 8.363 -3.137 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.361 -3.684 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.683 -4.952 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.964 -3.798 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.115 -1.338 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.712 -1.355 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.269 -0.878 -3.168 1.00 0.00 H new ATOM 361 N LYS A 23 11.350 -1.131 -6.087 1.00 0.00 N ATOM 362 CA LYS A 23 12.012 0.151 -6.296 1.00 0.00 C ATOM 363 C LYS A 23 11.210 1.032 -7.249 1.00 0.00 C ATOM 364 O LYS A 23 11.186 2.255 -7.108 1.00 0.00 O ATOM 365 CB LYS A 23 13.421 -0.071 -6.850 1.00 0.00 C ATOM 366 CG LYS A 23 14.205 1.213 -7.070 1.00 0.00 C ATOM 367 CD LYS A 23 15.599 0.936 -7.612 1.00 0.00 C ATOM 368 CE LYS A 23 15.550 0.346 -9.013 1.00 0.00 C ATOM 369 NZ LYS A 23 16.913 0.086 -9.555 1.00 0.00 N ATOM 0 H LYS A 23 11.880 -1.935 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 23 12.079 0.660 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.975 -0.710 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.349 -0.608 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.665 1.854 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.282 1.758 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.174 1.862 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.119 0.248 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.983 -0.585 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.020 1.030 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.836 -0.316 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.446 0.978 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.410 -0.586 -8.936 1.00 0.00 H new ATOM 383 N ARG A 24 10.555 0.402 -8.219 1.00 0.00 N ATOM 384 CA ARG A 24 9.755 1.131 -9.197 1.00 0.00 C ATOM 385 C ARG A 24 8.462 1.645 -8.571 1.00 0.00 C ATOM 386 O ARG A 24 8.114 2.816 -8.719 1.00 0.00 O ATOM 387 CB ARG A 24 9.436 0.238 -10.398 1.00 0.00 C ATOM 388 CG ARG A 24 8.712 0.965 -11.519 1.00 0.00 C ATOM 389 CD ARG A 24 8.481 0.056 -12.715 1.00 0.00 C ATOM 390 NE ARG A 24 7.787 0.744 -13.799 1.00 0.00 N ATOM 391 CZ ARG A 24 7.688 0.262 -15.035 1.00 0.00 C ATOM 392 NH1 ARG A 24 8.232 -0.907 -15.340 1.00 0.00 N ATOM 393 NH2 ARG A 24 7.044 0.952 -15.966 1.00 0.00 N ATOM 0 H ARG A 24 10.562 -0.610 -8.349 1.00 0.00 H new ATOM 0 HA ARG A 24 10.337 1.988 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.365 -0.180 -10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.824 -0.600 -10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.755 1.338 -11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.295 1.833 -11.827 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.439 -0.317 -13.077 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.898 -0.811 -12.404 1.00 0.00 H new ATOM 0 HE ARG A 24 7.353 1.645 -13.598 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.728 -1.440 -14.626 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.154 -1.274 -16.289 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.624 1.852 -15.735 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.968 0.582 -16.914 1.00 0.00 H new ATOM 407 N PHE A 25 7.755 0.760 -7.874 1.00 0.00 N ATOM 408 CA PHE A 25 6.499 1.122 -7.224 1.00 0.00 C ATOM 409 C PHE A 25 6.693 2.294 -6.267 1.00 0.00 C ATOM 410 O PHE A 25 6.000 3.307 -6.363 1.00 0.00 O ATOM 411 CB PHE A 25 5.931 -0.079 -6.465 1.00 0.00 C ATOM 412 CG PHE A 25 4.774 0.266 -5.569 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.537 0.585 -6.104 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.926 0.269 -4.191 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.473 0.903 -5.282 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.864 0.585 -3.363 1.00 0.00 C ATOM 417 CZ PHE A 25 2.637 0.902 -3.910 1.00 0.00 C ATOM 0 H PHE A 25 8.031 -0.214 -7.745 1.00 0.00 H new ATOM 0 HA PHE A 25 5.795 1.424 -7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.611 -0.833 -7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.723 -0.526 -5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.403 0.585 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.885 0.022 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.514 1.152 -5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.995 0.584 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.806 1.149 -3.266 1.00 0.00 H new ATOM 427 N LYS A 26 7.637 2.144 -5.344 1.00 0.00 N ATOM 428 CA LYS A 26 7.928 3.181 -4.361 1.00 0.00 C ATOM 429 C LYS A 26 8.227 4.511 -5.040 1.00 0.00 C ATOM 430 O LYS A 26 7.803 5.570 -4.575 1.00 0.00 O ATOM 431 CB LYS A 26 9.116 2.760 -3.500 1.00 0.00 C ATOM 432 CG LYS A 26 9.207 3.500 -2.177 1.00 0.00 C ATOM 433 CD LYS A 26 9.864 2.646 -1.103 1.00 0.00 C ATOM 434 CE LYS A 26 8.982 1.469 -0.717 1.00 0.00 C ATOM 435 NZ LYS A 26 9.549 0.694 0.419 1.00 0.00 N ATOM 0 H LYS A 26 8.217 1.309 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 26 7.048 3.310 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.049 1.690 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.036 2.924 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.777 4.419 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.208 3.790 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.825 2.280 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.065 3.256 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.990 1.833 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.858 0.812 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.777 0.354 1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.084 -0.119 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.183 1.304 0.973 1.00 0.00 H new ATOM 449 N TYR A 27 8.963 4.445 -6.140 1.00 0.00 N ATOM 450 CA TYR A 27 9.328 5.638 -6.894 1.00 0.00 C ATOM 451 C TYR A 27 8.127 6.198 -7.651 1.00 0.00 C ATOM 452 O TYR A 27 8.080 7.389 -7.965 1.00 0.00 O ATOM 453 CB TYR A 27 10.458 5.309 -7.871 1.00 0.00 C ATOM 454 CG TYR A 27 10.886 6.481 -8.725 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.719 7.469 -8.215 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.458 6.599 -10.041 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.112 8.542 -8.993 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.847 7.668 -10.825 1.00 0.00 C ATOM 459 CZ TYR A 27 11.674 8.637 -10.297 1.00 0.00 C ATOM 460 OH TYR A 27 12.064 9.704 -11.073 1.00 0.00 O ATOM 0 H TYR A 27 9.321 3.574 -6.532 1.00 0.00 H new ATOM 0 HA TYR A 27 9.668 6.398 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.319 4.948 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.138 4.495 -8.521 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.065 7.398 -7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.810 5.842 -10.458 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.759 9.302 -8.581 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.505 7.744 -11.847 1.00 0.00 H new ATOM 0 HH TYR A 27 11.670 9.620 -11.966 1.00 0.00 H new ATOM 470 N PHE A 28 7.156 5.336 -7.936 1.00 0.00 N ATOM 471 CA PHE A 28 5.965 5.745 -8.669 1.00 0.00 C ATOM 472 C PHE A 28 5.003 6.522 -7.773 1.00 0.00 C ATOM 473 O PHE A 28 4.617 7.647 -8.095 1.00 0.00 O ATOM 474 CB PHE A 28 5.263 4.522 -9.257 1.00 0.00 C ATOM 475 CG PHE A 28 4.500 4.820 -10.515 1.00 0.00 C ATOM 476 CD1 PHE A 28 5.142 4.823 -11.741 1.00 0.00 C ATOM 477 CD2 PHE A 28 3.144 5.099 -10.470 1.00 0.00 C ATOM 478 CE1 PHE A 28 4.446 5.098 -12.903 1.00 0.00 C ATOM 479 CE2 PHE A 28 2.442 5.376 -11.628 1.00 0.00 C ATOM 480 CZ PHE A 28 3.093 5.375 -12.846 1.00 0.00 C ATOM 0 H PHE A 28 7.171 4.351 -7.670 1.00 0.00 H new ATOM 0 HA PHE A 28 6.278 6.403 -9.480 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.005 3.751 -9.465 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.578 4.113 -8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.199 4.608 -11.790 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.630 5.100 -9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.958 5.096 -13.854 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.385 5.593 -11.580 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.546 5.590 -13.752 1.00 0.00 H new ATOM 490 N ALA A 29 4.616 5.919 -6.653 1.00 0.00 N ATOM 491 CA ALA A 29 3.699 6.566 -5.722 1.00 0.00 C ATOM 492 C ALA A 29 4.382 7.720 -4.999 1.00 0.00 C ATOM 493 O ALA A 29 3.870 8.840 -4.975 1.00 0.00 O ATOM 494 CB ALA A 29 3.164 5.555 -4.717 1.00 0.00 C ATOM 0 H ALA A 29 4.921 4.988 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 29 2.863 6.969 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.481 6.053 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.634 4.763 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.994 5.125 -4.157 1.00 0.00 H new ATOM 500 N LEU A 30 5.541 7.441 -4.410 1.00 0.00 N ATOM 501 CA LEU A 30 6.296 8.458 -3.690 1.00 0.00 C ATOM 502 C LEU A 30 7.397 9.041 -4.570 1.00 0.00 C ATOM 503 O LEU A 30 8.516 8.524 -4.607 1.00 0.00 O ATOM 504 CB LEU A 30 6.895 7.860 -2.416 1.00 0.00 C ATOM 505 CG LEU A 30 5.922 7.021 -1.586 1.00 0.00 C ATOM 506 CD1 LEU A 30 6.437 5.598 -1.437 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.697 7.657 -0.224 1.00 0.00 C ATOM 0 H LEU A 30 5.977 6.519 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 30 5.616 9.265 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.748 7.239 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.276 8.670 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 30 4.966 6.985 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.732 5.016 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.543 5.144 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.406 5.612 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.002 7.046 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.646 7.725 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.281 8.656 -0.353 1.00 0.00 H new ATOM 519 N THR A 31 7.072 10.113 -5.283 1.00 0.00 N ATOM 520 CA THR A 31 8.030 10.763 -6.170 1.00 0.00 C ATOM 521 C THR A 31 8.796 11.875 -5.460 1.00 0.00 C ATOM 522 O THR A 31 10.023 11.944 -5.537 1.00 0.00 O ATOM 523 CB THR A 31 7.335 11.351 -7.411 1.00 0.00 C ATOM 524 OG1 THR A 31 6.456 12.415 -7.027 1.00 0.00 O ATOM 525 CG2 THR A 31 6.547 10.277 -8.144 1.00 0.00 C ATOM 0 H THR A 31 6.151 10.551 -5.264 1.00 0.00 H new ATOM 0 HA THR A 31 8.734 9.991 -6.480 1.00 0.00 H new ATOM 0 HB THR A 31 8.103 11.741 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.020 12.783 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.063 10.713 -9.018 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.223 9.483 -8.462 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.789 9.864 -7.478 1.00 0.00 H new ATOM 533 N GLU A 32 8.064 12.743 -4.768 1.00 0.00 N ATOM 534 CA GLU A 32 8.671 13.868 -4.063 1.00 0.00 C ATOM 535 C GLU A 32 8.980 13.529 -2.607 1.00 0.00 C ATOM 536 O GLU A 32 9.674 14.284 -1.925 1.00 0.00 O ATOM 537 CB GLU A 32 7.748 15.085 -4.125 1.00 0.00 C ATOM 538 CG GLU A 32 7.316 15.452 -5.537 1.00 0.00 C ATOM 539 CD GLU A 32 8.491 15.757 -6.446 1.00 0.00 C ATOM 540 OE1 GLU A 32 8.961 16.914 -6.442 1.00 0.00 O ATOM 541 OE2 GLU A 32 8.941 14.838 -7.164 1.00 0.00 O ATOM 0 H GLU A 32 7.049 12.689 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 32 9.614 14.095 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.861 14.889 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.256 15.939 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.737 14.631 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.657 16.320 -5.497 1.00 0.00 H new ATOM 548 N PHE A 33 8.471 12.397 -2.132 1.00 0.00 N ATOM 549 CA PHE A 33 8.705 11.989 -0.749 1.00 0.00 C ATOM 550 C PHE A 33 10.088 11.366 -0.587 1.00 0.00 C ATOM 551 O PHE A 33 10.656 11.376 0.505 1.00 0.00 O ATOM 552 CB PHE A 33 7.627 11.003 -0.294 1.00 0.00 C ATOM 553 CG PHE A 33 6.242 11.585 -0.296 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.918 12.639 0.544 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.264 11.078 -1.137 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.644 13.177 0.544 1.00 0.00 C ATOM 557 CE2 PHE A 33 3.990 11.611 -1.141 1.00 0.00 C ATOM 558 CZ PHE A 33 3.679 12.661 -0.300 1.00 0.00 C ATOM 0 H PHE A 33 7.900 11.751 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 33 8.657 12.880 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.646 10.130 -0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.865 10.656 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.669 13.045 1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.501 10.257 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.404 13.999 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.237 11.207 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.683 13.078 -0.302 1.00 0.00 H new ATOM 568 N GLN A 34 10.625 10.835 -1.684 1.00 0.00 N ATOM 569 CA GLN A 34 11.950 10.217 -1.684 1.00 0.00 C ATOM 570 C GLN A 34 12.176 9.353 -0.443 1.00 0.00 C ATOM 571 O GLN A 34 12.984 9.694 0.422 1.00 0.00 O ATOM 572 CB GLN A 34 13.036 11.291 -1.775 1.00 0.00 C ATOM 573 CG GLN A 34 14.435 10.728 -1.969 1.00 0.00 C ATOM 574 CD GLN A 34 15.497 11.809 -2.030 1.00 0.00 C ATOM 575 OE1 GLN A 34 16.055 12.206 -1.007 1.00 0.00 O ATOM 576 NE2 GLN A 34 15.785 12.291 -3.234 1.00 0.00 N ATOM 0 H GLN A 34 10.159 10.821 -2.591 1.00 0.00 H new ATOM 0 HA GLN A 34 12.007 9.567 -2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.805 11.960 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.018 11.892 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.664 10.045 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.463 10.144 -2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.298 11.934 -4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.493 13.018 -3.336 1.00 0.00 H new ATOM 585 N ILE A 35 11.452 8.242 -0.347 1.00 0.00 N ATOM 586 CA ILE A 35 11.599 7.343 0.790 1.00 0.00 C ATOM 587 C ILE A 35 12.870 6.506 0.656 1.00 0.00 C ATOM 588 O ILE A 35 13.105 5.877 -0.376 1.00 0.00 O ATOM 589 CB ILE A 35 10.368 6.420 0.952 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.220 7.197 1.609 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.719 5.178 1.764 1.00 0.00 C ATOM 592 CD1 ILE A 35 7.997 6.354 1.907 1.00 0.00 C ATOM 0 H ILE A 35 10.763 7.945 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 35 11.675 7.961 1.685 1.00 0.00 H new ATOM 0 HB ILE A 35 10.048 6.087 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.579 7.639 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.931 8.020 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.836 4.546 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.508 4.622 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.065 5.476 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.231 6.976 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.610 5.933 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.269 5.546 2.587 1.00 0.00 H new ATOM 604 N ALA A 36 13.684 6.514 1.710 1.00 0.00 N ATOM 605 CA ALA A 36 14.942 5.772 1.726 1.00 0.00 C ATOM 606 C ALA A 36 14.748 4.319 1.300 1.00 0.00 C ATOM 607 O ALA A 36 13.842 3.636 1.778 1.00 0.00 O ATOM 608 CB ALA A 36 15.565 5.837 3.112 1.00 0.00 C ATOM 0 H ALA A 36 13.492 7.030 2.569 1.00 0.00 H new ATOM 0 HA ALA A 36 15.614 6.238 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.503 5.281 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.758 6.877 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.881 5.399 3.839 1.00 0.00 H new ATOM 614 N ARG A 37 15.606 3.856 0.395 1.00 0.00 N ATOM 615 CA ARG A 37 15.540 2.483 -0.098 1.00 0.00 C ATOM 616 C ARG A 37 15.880 1.482 1.004 1.00 0.00 C ATOM 617 O ARG A 37 15.514 0.310 0.926 1.00 0.00 O ATOM 618 CB ARG A 37 16.491 2.295 -1.281 1.00 0.00 C ATOM 619 CG ARG A 37 17.941 2.616 -0.958 1.00 0.00 C ATOM 620 CD ARG A 37 18.863 2.226 -2.102 1.00 0.00 C ATOM 621 NE ARG A 37 20.254 2.584 -1.837 1.00 0.00 N ATOM 622 CZ ARG A 37 21.258 2.301 -2.662 1.00 0.00 C ATOM 623 NH1 ARG A 37 21.028 1.654 -3.796 1.00 0.00 N ATOM 624 NH2 ARG A 37 22.495 2.664 -2.351 1.00 0.00 N ATOM 0 H ARG A 37 16.357 4.413 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 37 14.517 2.297 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.425 1.264 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.162 2.930 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.043 3.682 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.239 2.088 -0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.792 1.152 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.531 2.717 -3.017 1.00 0.00 H new ATOM 0 HE ARG A 37 20.467 3.079 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.078 1.371 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.801 1.439 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.677 3.160 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.265 2.447 -2.984 1.00 0.00 H new ATOM 638 N SER A 38 16.585 1.951 2.025 1.00 0.00 N ATOM 639 CA SER A 38 16.983 1.097 3.138 1.00 0.00 C ATOM 640 C SER A 38 15.777 0.685 3.982 1.00 0.00 C ATOM 641 O SER A 38 15.770 -0.383 4.592 1.00 0.00 O ATOM 642 CB SER A 38 18.008 1.817 4.014 1.00 0.00 C ATOM 643 OG SER A 38 19.170 2.148 3.273 1.00 0.00 O ATOM 0 H SER A 38 16.894 2.920 2.106 1.00 0.00 H new ATOM 0 HA SER A 38 17.432 0.194 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.565 2.724 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.279 1.183 4.858 1.00 0.00 H new ATOM 0 HG SER A 38 19.809 2.609 3.856 1.00 0.00 H new ATOM 649 N THR A 39 14.759 1.540 4.007 1.00 0.00 N ATOM 650 CA THR A 39 13.551 1.276 4.784 1.00 0.00 C ATOM 651 C THR A 39 12.761 0.094 4.227 1.00 0.00 C ATOM 652 O THR A 39 11.912 -0.470 4.917 1.00 0.00 O ATOM 653 CB THR A 39 12.633 2.510 4.835 1.00 0.00 C ATOM 654 OG1 THR A 39 12.120 2.799 3.530 1.00 0.00 O ATOM 655 CG2 THR A 39 13.385 3.721 5.368 1.00 0.00 C ATOM 0 H THR A 39 14.746 2.423 3.497 1.00 0.00 H new ATOM 0 HA THR A 39 13.886 1.033 5.792 1.00 0.00 H new ATOM 0 HB THR A 39 11.804 2.289 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.864 2.983 2.919 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.716 4.581 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.747 3.511 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.231 3.940 4.717 1.00 0.00 H new ATOM 663 N LEU A 40 13.041 -0.273 2.977 1.00 0.00 N ATOM 664 CA LEU A 40 12.350 -1.384 2.319 1.00 0.00 C ATOM 665 C LEU A 40 12.250 -2.616 3.220 1.00 0.00 C ATOM 666 O LEU A 40 11.368 -3.455 3.034 1.00 0.00 O ATOM 667 CB LEU A 40 13.063 -1.758 1.017 1.00 0.00 C ATOM 668 CG LEU A 40 12.493 -1.113 -0.250 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.695 0.394 -0.225 1.00 0.00 C ATOM 670 CD2 LEU A 40 13.139 -1.716 -1.489 1.00 0.00 C ATOM 0 H LEU A 40 13.744 0.184 2.397 1.00 0.00 H new ATOM 0 HA LEU A 40 11.337 -1.046 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.114 -1.481 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.028 -2.841 0.901 1.00 0.00 H new ATOM 0 HG LEU A 40 11.422 -1.313 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.283 0.831 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.187 0.815 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.760 0.617 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.723 -1.247 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.215 -1.546 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.942 -2.788 -1.517 1.00 0.00 H new ATOM 682 N ASP A 41 13.151 -2.721 4.191 1.00 0.00 N ATOM 683 CA ASP A 41 13.159 -3.857 5.109 1.00 0.00 C ATOM 684 C ASP A 41 11.805 -4.025 5.801 1.00 0.00 C ATOM 685 O ASP A 41 11.207 -5.101 5.758 1.00 0.00 O ATOM 686 CB ASP A 41 14.262 -3.686 6.154 1.00 0.00 C ATOM 687 CG ASP A 41 14.393 -4.895 7.061 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.065 -5.869 6.660 1.00 0.00 O ATOM 689 OD2 ASP A 41 13.824 -4.867 8.172 1.00 0.00 O ATOM 0 H ASP A 41 13.885 -2.034 4.364 1.00 0.00 H new ATOM 0 HA ASP A 41 13.354 -4.756 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.212 -3.509 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.053 -2.803 6.758 1.00 0.00 H new ATOM 694 N VAL A 42 11.327 -2.957 6.434 1.00 0.00 N ATOM 695 CA VAL A 42 10.045 -2.989 7.137 1.00 0.00 C ATOM 696 C VAL A 42 9.100 -1.917 6.614 1.00 0.00 C ATOM 697 O VAL A 42 8.083 -1.615 7.240 1.00 0.00 O ATOM 698 CB VAL A 42 10.226 -2.767 8.647 1.00 0.00 C ATOM 699 CG1 VAL A 42 10.822 -4.000 9.307 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.090 -1.544 8.903 1.00 0.00 C ATOM 0 H VAL A 42 11.807 -2.058 6.475 1.00 0.00 H new ATOM 0 HA VAL A 42 9.621 -3.977 6.958 1.00 0.00 H new ATOM 0 HB VAL A 42 9.245 -2.592 9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.941 -3.819 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.158 -4.851 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.795 -4.215 8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.209 -1.401 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.069 -1.688 8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.613 -0.665 8.470 1.00 0.00 H new ATOM 710 N ALA A 43 9.438 -1.347 5.468 1.00 0.00 N ATOM 711 CA ALA A 43 8.631 -0.292 4.874 1.00 0.00 C ATOM 712 C ALA A 43 7.180 -0.704 4.694 1.00 0.00 C ATOM 713 O ALA A 43 6.282 0.121 4.784 1.00 0.00 O ATOM 714 CB ALA A 43 9.214 0.141 3.542 1.00 0.00 C ATOM 0 H ALA A 43 10.267 -1.598 4.930 1.00 0.00 H new ATOM 0 HA ALA A 43 8.650 0.548 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.596 0.930 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.227 0.514 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.238 -0.710 2.861 1.00 0.00 H new ATOM 720 N ASP A 44 6.942 -1.978 4.469 1.00 0.00 N ATOM 721 CA ASP A 44 5.582 -2.438 4.243 1.00 0.00 C ATOM 722 C ASP A 44 4.665 -2.122 5.423 1.00 0.00 C ATOM 723 O ASP A 44 3.620 -1.494 5.247 1.00 0.00 O ATOM 724 CB ASP A 44 5.578 -3.944 3.978 1.00 0.00 C ATOM 725 CG ASP A 44 6.194 -4.737 5.114 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.439 -4.834 5.165 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.432 -5.261 5.953 1.00 0.00 O ATOM 0 H ASP A 44 7.656 -2.706 4.437 1.00 0.00 H new ATOM 0 HA ASP A 44 5.198 -1.906 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.553 -4.279 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.125 -4.149 3.058 1.00 0.00 H new ATOM 732 N ARG A 45 5.046 -2.552 6.621 1.00 0.00 N ATOM 733 CA ARG A 45 4.219 -2.315 7.799 1.00 0.00 C ATOM 734 C ARG A 45 4.357 -0.916 8.421 1.00 0.00 C ATOM 735 O ARG A 45 3.385 -0.165 8.501 1.00 0.00 O ATOM 736 CB ARG A 45 4.501 -3.386 8.859 1.00 0.00 C ATOM 737 CG ARG A 45 5.976 -3.565 9.191 1.00 0.00 C ATOM 738 CD ARG A 45 6.197 -4.771 10.089 1.00 0.00 C ATOM 739 NE ARG A 45 7.598 -4.927 10.470 1.00 0.00 N ATOM 740 CZ ARG A 45 8.064 -5.964 11.160 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.245 -6.936 11.537 1.00 0.00 N ATOM 742 NH2 ARG A 45 9.352 -6.030 11.473 1.00 0.00 N ATOM 0 H ARG A 45 5.912 -3.061 6.802 1.00 0.00 H new ATOM 0 HA ARG A 45 3.190 -2.375 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.964 -3.128 9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.100 -4.338 8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.546 -3.685 8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.352 -2.668 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.587 -4.670 10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.860 -5.671 9.575 1.00 0.00 H new ATOM 0 HE ARG A 45 8.256 -4.200 10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.254 -6.890 11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.605 -7.730 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.986 -5.285 11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.708 -6.826 12.002 1.00 0.00 H new ATOM 756 N THR A 46 5.570 -0.579 8.862 1.00 0.00 N ATOM 757 CA THR A 46 5.825 0.685 9.568 1.00 0.00 C ATOM 758 C THR A 46 6.032 1.944 8.712 1.00 0.00 C ATOM 759 O THR A 46 5.310 2.928 8.866 1.00 0.00 O ATOM 760 CB THR A 46 7.046 0.532 10.493 1.00 0.00 C ATOM 761 OG1 THR A 46 6.876 -0.609 11.342 1.00 0.00 O ATOM 762 CG2 THR A 46 7.245 1.778 11.346 1.00 0.00 C ATOM 0 H THR A 46 6.397 -1.164 8.744 1.00 0.00 H new ATOM 0 HA THR A 46 4.893 0.858 10.107 1.00 0.00 H new ATOM 0 HB THR A 46 7.929 0.395 9.869 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.657 -0.701 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.114 1.643 11.990 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.403 2.641 10.699 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.360 1.943 11.961 1.00 0.00 H new ATOM 770 N GLU A 47 7.015 1.910 7.816 1.00 0.00 N ATOM 771 CA GLU A 47 7.385 3.098 7.034 1.00 0.00 C ATOM 772 C GLU A 47 6.358 3.546 5.991 1.00 0.00 C ATOM 773 O GLU A 47 5.855 4.667 6.062 1.00 0.00 O ATOM 774 CB GLU A 47 8.730 2.849 6.356 1.00 0.00 C ATOM 775 CG GLU A 47 9.824 3.808 6.801 1.00 0.00 C ATOM 776 CD GLU A 47 10.187 3.638 8.263 1.00 0.00 C ATOM 777 OE1 GLU A 47 11.008 2.749 8.571 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.651 4.394 9.101 1.00 0.00 O ATOM 0 H GLU A 47 7.570 1.080 7.610 1.00 0.00 H new ATOM 0 HA GLU A 47 7.435 3.918 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.048 1.827 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.604 2.931 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.712 3.650 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.496 4.833 6.628 1.00 0.00 H new ATOM 785 N LEU A 48 6.046 2.689 5.033 1.00 0.00 N ATOM 786 CA LEU A 48 5.101 3.045 3.975 1.00 0.00 C ATOM 787 C LEU A 48 3.726 3.387 4.521 1.00 0.00 C ATOM 788 O LEU A 48 3.187 4.450 4.232 1.00 0.00 O ATOM 789 CB LEU A 48 4.977 1.918 2.949 1.00 0.00 C ATOM 790 CG LEU A 48 6.153 1.789 1.982 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.982 0.564 1.098 1.00 0.00 C ATOM 792 CD2 LEU A 48 6.282 3.049 1.135 1.00 0.00 C ATOM 0 H LEU A 48 6.428 1.746 4.962 1.00 0.00 H new ATOM 0 HA LEU A 48 5.502 3.935 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.860 0.974 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.066 2.073 2.370 1.00 0.00 H new ATOM 0 HG LEU A 48 7.068 1.668 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.828 0.487 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.935 -0.330 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.060 0.655 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.124 2.943 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.366 3.198 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.448 3.908 1.784 1.00 0.00 H new ATOM 804 N ALA A 49 3.172 2.487 5.319 1.00 0.00 N ATOM 805 CA ALA A 49 1.838 2.680 5.883 1.00 0.00 C ATOM 806 C ALA A 49 1.687 4.031 6.582 1.00 0.00 C ATOM 807 O ALA A 49 0.781 4.800 6.266 1.00 0.00 O ATOM 808 CB ALA A 49 1.511 1.552 6.847 1.00 0.00 C ATOM 0 H ALA A 49 3.623 1.614 5.593 1.00 0.00 H new ATOM 0 HA ALA A 49 1.133 2.669 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.515 1.705 7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.541 0.600 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.243 1.540 7.655 1.00 0.00 H new ATOM 814 N ASP A 50 2.576 4.317 7.526 1.00 0.00 N ATOM 815 CA ASP A 50 2.522 5.567 8.282 1.00 0.00 C ATOM 816 C ASP A 50 2.830 6.792 7.415 1.00 0.00 C ATOM 817 O ASP A 50 2.258 7.862 7.622 1.00 0.00 O ATOM 818 CB ASP A 50 3.497 5.511 9.461 1.00 0.00 C ATOM 819 CG ASP A 50 3.466 6.772 10.303 1.00 0.00 C ATOM 820 OD1 ASP A 50 2.644 6.840 11.242 1.00 0.00 O ATOM 821 OD2 ASP A 50 4.263 7.692 10.024 1.00 0.00 O ATOM 0 H ASP A 50 3.345 3.700 7.788 1.00 0.00 H new ATOM 0 HA ASP A 50 1.501 5.675 8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.254 4.653 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.508 5.354 9.085 1.00 0.00 H new ATOM 826 N HIS A 51 3.726 6.631 6.446 1.00 0.00 N ATOM 827 CA HIS A 51 4.129 7.741 5.579 1.00 0.00 C ATOM 828 C HIS A 51 3.012 8.191 4.634 1.00 0.00 C ATOM 829 O HIS A 51 2.631 9.362 4.634 1.00 0.00 O ATOM 830 CB HIS A 51 5.370 7.355 4.769 1.00 0.00 C ATOM 831 CG HIS A 51 6.022 8.515 4.082 1.00 0.00 C ATOM 832 ND1 HIS A 51 7.146 9.157 4.555 1.00 0.00 N ATOM 833 CD2 HIS A 51 5.689 9.149 2.928 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.452 10.139 3.696 1.00 0.00 C ATOM 835 NE2 HIS A 51 6.599 10.176 2.690 1.00 0.00 N ATOM 0 H HIS A 51 4.188 5.745 6.239 1.00 0.00 H new ATOM 0 HA HIS A 51 4.358 8.584 6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.094 6.883 5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.090 6.612 4.022 1.00 0.00 H new ATOM 0 HD1 HIS A 51 7.655 8.926 5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.851 8.897 2.295 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.288 10.813 3.812 1.00 0.00 H new ATOM 843 N LEU A 52 2.496 7.265 3.829 1.00 0.00 N ATOM 844 CA LEU A 52 1.446 7.588 2.861 1.00 0.00 C ATOM 845 C LEU A 52 0.281 8.347 3.498 1.00 0.00 C ATOM 846 O LEU A 52 -0.348 9.181 2.845 1.00 0.00 O ATOM 847 CB LEU A 52 0.935 6.318 2.166 1.00 0.00 C ATOM 848 CG LEU A 52 0.576 5.151 3.092 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.857 5.269 3.588 1.00 0.00 C ATOM 850 CD2 LEU A 52 0.785 3.826 2.374 1.00 0.00 C ATOM 0 H LEU A 52 2.786 6.287 3.826 1.00 0.00 H new ATOM 0 HA LEU A 52 1.896 8.245 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.053 6.577 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.697 5.979 1.464 1.00 0.00 H new ATOM 0 HG LEU A 52 1.235 5.188 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.086 4.428 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.975 6.202 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.538 5.262 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.526 3.005 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.149 3.787 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.829 3.735 2.075 1.00 0.00 H new ATOM 862 N ILE A 53 -0.004 8.061 4.763 1.00 0.00 N ATOM 863 CA ILE A 53 -1.100 8.725 5.467 1.00 0.00 C ATOM 864 C ILE A 53 -0.953 10.245 5.437 1.00 0.00 C ATOM 865 O ILE A 53 -1.926 10.967 5.224 1.00 0.00 O ATOM 866 CB ILE A 53 -1.192 8.262 6.935 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.490 6.764 7.000 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.262 9.052 7.677 1.00 0.00 C ATOM 869 CD1 ILE A 53 -1.440 6.198 8.401 1.00 0.00 C ATOM 0 H ILE A 53 0.505 7.377 5.322 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.014 8.445 4.943 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.233 8.446 7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.478 6.580 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.772 6.232 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.313 8.712 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.012 10.113 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.228 8.897 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.661 5.131 8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.445 6.350 8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.177 6.704 9.024 1.00 0.00 H new ATOM 881 N GLN A 54 0.265 10.723 5.655 1.00 0.00 N ATOM 882 CA GLN A 54 0.533 12.158 5.663 1.00 0.00 C ATOM 883 C GLN A 54 0.219 12.795 4.310 1.00 0.00 C ATOM 884 O GLN A 54 -0.110 13.979 4.236 1.00 0.00 O ATOM 885 CB GLN A 54 1.996 12.419 6.034 1.00 0.00 C ATOM 886 CG GLN A 54 2.343 13.895 6.141 1.00 0.00 C ATOM 887 CD GLN A 54 3.796 14.130 6.508 1.00 0.00 C ATOM 888 OE1 GLN A 54 4.670 13.331 6.175 1.00 0.00 O ATOM 889 NE2 GLN A 54 4.059 15.233 7.200 1.00 0.00 N ATOM 0 H GLN A 54 1.084 10.140 5.829 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.118 12.613 6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.213 11.934 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.640 11.956 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.129 14.384 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.703 14.361 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.302 15.868 7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.018 15.445 7.477 1.00 0.00 H new ATOM 898 N SER A 55 0.317 12.005 3.245 1.00 0.00 N ATOM 899 CA SER A 55 0.064 12.506 1.897 1.00 0.00 C ATOM 900 C SER A 55 -1.415 12.823 1.671 1.00 0.00 C ATOM 901 O SER A 55 -1.767 13.959 1.348 1.00 0.00 O ATOM 902 CB SER A 55 0.537 11.486 0.861 1.00 0.00 C ATOM 903 OG SER A 55 0.320 11.960 -0.458 1.00 0.00 O ATOM 0 H SER A 55 0.569 11.018 3.288 1.00 0.00 H new ATOM 0 HA SER A 55 0.624 13.434 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.597 11.280 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.007 10.545 1.004 1.00 0.00 H new ATOM 0 HG SER A 55 0.632 11.290 -1.102 1.00 0.00 H new ATOM 909 N ALA A 56 -2.276 11.823 1.838 1.00 0.00 N ATOM 910 CA ALA A 56 -3.710 12.016 1.635 1.00 0.00 C ATOM 911 C ALA A 56 -4.518 11.617 2.866 1.00 0.00 C ATOM 912 O ALA A 56 -5.535 12.236 3.179 1.00 0.00 O ATOM 913 CB ALA A 56 -4.175 11.225 0.422 1.00 0.00 C ATOM 0 H ALA A 56 -2.009 10.877 2.111 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.880 13.079 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.245 11.375 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.639 11.567 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.975 10.165 0.580 1.00 0.00 H new ATOM 919 N GLY A 57 -4.059 10.581 3.558 1.00 0.00 N ATOM 920 CA GLY A 57 -4.755 10.109 4.742 1.00 0.00 C ATOM 921 C GLY A 57 -4.650 8.606 4.904 1.00 0.00 C ATOM 922 O GLY A 57 -3.982 7.939 4.116 1.00 0.00 O ATOM 0 H GLY A 57 -3.216 10.058 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.341 10.598 5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.805 10.394 4.682 1.00 0.00 H new ATOM 926 N ALA A 58 -5.311 8.068 5.922 1.00 0.00 N ATOM 927 CA ALA A 58 -5.276 6.633 6.169 1.00 0.00 C ATOM 928 C ALA A 58 -6.058 5.877 5.101 1.00 0.00 C ATOM 929 O ALA A 58 -5.478 5.184 4.268 1.00 0.00 O ATOM 930 CB ALA A 58 -5.831 6.319 7.550 1.00 0.00 C ATOM 0 H ALA A 58 -5.874 8.600 6.585 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.237 6.307 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.798 5.243 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.231 6.824 8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.863 6.665 7.615 1.00 0.00 H new ATOM 936 N ALA A 59 -7.376 6.026 5.128 1.00 0.00 N ATOM 937 CA ALA A 59 -8.242 5.359 4.164 1.00 0.00 C ATOM 938 C ALA A 59 -8.060 5.921 2.757 1.00 0.00 C ATOM 939 O ALA A 59 -8.165 5.194 1.770 1.00 0.00 O ATOM 940 CB ALA A 59 -9.695 5.480 4.596 1.00 0.00 C ATOM 0 H ALA A 59 -7.870 6.604 5.808 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.961 4.306 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.334 4.978 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.824 5.016 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.970 6.533 4.655 1.00 0.00 H new ATOM 946 N SER A 60 -7.785 7.219 2.673 1.00 0.00 N ATOM 947 CA SER A 60 -7.606 7.889 1.387 1.00 0.00 C ATOM 948 C SER A 60 -6.420 7.322 0.606 1.00 0.00 C ATOM 949 O SER A 60 -6.550 6.982 -0.571 1.00 0.00 O ATOM 950 CB SER A 60 -7.414 9.392 1.597 1.00 0.00 C ATOM 951 OG SER A 60 -7.238 10.062 0.360 1.00 0.00 O ATOM 0 H SER A 60 -7.681 7.831 3.483 1.00 0.00 H new ATOM 0 HA SER A 60 -8.507 7.712 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.279 9.803 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.547 9.565 2.235 1.00 0.00 H new ATOM 0 HG SER A 60 -7.358 11.026 0.490 1.00 0.00 H new ATOM 957 N ALA A 61 -5.269 7.221 1.262 1.00 0.00 N ATOM 958 CA ALA A 61 -4.062 6.717 0.612 1.00 0.00 C ATOM 959 C ALA A 61 -4.148 5.221 0.319 1.00 0.00 C ATOM 960 O ALA A 61 -3.736 4.771 -0.749 1.00 0.00 O ATOM 961 CB ALA A 61 -2.840 7.018 1.464 1.00 0.00 C ATOM 0 H ALA A 61 -5.145 7.480 2.241 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.970 7.231 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.948 6.637 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.748 8.096 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.947 6.538 2.437 1.00 0.00 H new ATOM 967 N VAL A 62 -4.675 4.453 1.267 1.00 0.00 N ATOM 968 CA VAL A 62 -4.801 3.009 1.091 1.00 0.00 C ATOM 969 C VAL A 62 -5.673 2.674 -0.118 1.00 0.00 C ATOM 970 O VAL A 62 -5.470 1.654 -0.777 1.00 0.00 O ATOM 971 CB VAL A 62 -5.383 2.335 2.352 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.664 0.860 2.099 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.433 2.501 3.528 1.00 0.00 C ATOM 0 H VAL A 62 -5.020 4.803 2.161 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.797 2.621 0.921 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.327 2.824 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.073 0.407 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.383 0.761 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.737 0.354 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.858 2.020 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.475 2.040 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.285 3.562 3.729 1.00 0.00 H new ATOM 983 N THR A 63 -6.637 3.542 -0.409 1.00 0.00 N ATOM 984 CA THR A 63 -7.536 3.336 -1.540 1.00 0.00 C ATOM 985 C THR A 63 -6.812 3.547 -2.868 1.00 0.00 C ATOM 986 O THR A 63 -6.799 2.663 -3.726 1.00 0.00 O ATOM 987 CB THR A 63 -8.749 4.283 -1.469 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.459 4.076 -0.242 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.690 4.055 -2.645 1.00 0.00 C ATOM 0 H THR A 63 -6.816 4.394 0.122 1.00 0.00 H new ATOM 0 HA THR A 63 -7.885 2.305 -1.484 1.00 0.00 H new ATOM 0 HB THR A 63 -8.381 5.308 -1.512 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.068 4.636 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.538 4.736 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.158 4.239 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.049 3.026 -2.629 1.00 0.00 H new ATOM 997 N LYS A 64 -6.213 4.724 -3.032 1.00 0.00 N ATOM 998 CA LYS A 64 -5.490 5.053 -4.258 1.00 0.00 C ATOM 999 C LYS A 64 -4.321 4.099 -4.485 1.00 0.00 C ATOM 1000 O LYS A 64 -3.982 3.780 -5.625 1.00 0.00 O ATOM 1001 CB LYS A 64 -4.973 6.491 -4.199 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.022 6.743 -3.041 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.103 7.916 -3.322 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.161 8.177 -2.158 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.295 7.000 -1.869 1.00 0.00 N ATOM 0 H LYS A 64 -6.214 5.466 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.186 4.950 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.465 6.725 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.821 7.171 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.595 6.937 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.427 5.849 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.523 7.717 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.699 8.808 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.536 9.041 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.742 8.427 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.527 7.283 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.863 6.253 -1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.890 6.641 -2.757 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.708 3.652 -3.393 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.574 2.737 -3.467 1.00 0.00 C ATOM 1021 C ALA A 65 -2.920 1.507 -4.293 1.00 0.00 C ATOM 1022 O ALA A 65 -2.058 0.919 -4.946 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.133 2.328 -2.069 1.00 0.00 C ATOM 0 H ALA A 65 -3.979 3.910 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.751 3.255 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.286 1.645 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.839 3.214 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.958 1.831 -1.558 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.190 1.126 -4.257 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.663 -0.038 -4.995 1.00 0.00 C ATOM 1031 C ILE A 66 -4.538 0.173 -6.501 1.00 0.00 C ATOM 1032 O ILE A 66 -4.070 -0.707 -7.219 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.133 -0.359 -4.652 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.282 -0.658 -3.156 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.638 -1.529 -5.487 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.489 -1.862 -2.688 1.00 0.00 C ATOM 0 H ILE A 66 -4.913 1.608 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.034 -0.877 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.739 0.515 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.965 0.216 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.336 -0.820 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.676 -1.739 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.571 -1.277 -6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.029 -2.410 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.646 -2.008 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.821 -2.749 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.429 -1.696 -2.879 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.953 1.346 -6.969 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.902 1.667 -8.392 1.00 0.00 C ATOM 1050 C ASN A 67 -3.466 1.762 -8.904 1.00 0.00 C ATOM 1051 O ASN A 67 -3.132 1.202 -9.948 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.634 2.982 -8.662 1.00 0.00 C ATOM 1053 CG ASN A 67 -7.116 2.898 -8.345 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.531 2.168 -7.443 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -7.922 3.645 -9.089 1.00 0.00 N ATOM 0 H ASN A 67 -5.329 2.091 -6.383 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.395 0.855 -8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.182 3.775 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.505 3.258 -9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.928 3.629 -8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.535 4.235 -9.826 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.623 2.477 -8.168 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.227 2.653 -8.559 1.00 0.00 C ATOM 1064 C ILE A 68 -0.477 1.323 -8.599 1.00 0.00 C ATOM 1065 O ILE A 68 0.228 1.031 -9.563 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.493 3.610 -7.595 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.211 4.961 -7.537 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.957 3.789 -8.026 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.641 5.908 -6.500 1.00 0.00 C ATOM 0 H ILE A 68 -2.880 2.944 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.239 3.083 -9.561 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.502 3.173 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.157 5.434 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.266 4.793 -7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.461 4.466 -7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.461 2.822 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.989 4.206 -9.032 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.199 6.844 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.720 5.455 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.407 6.106 -6.725 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.635 0.523 -7.550 1.00 0.00 N ATOM 1082 CA PHE A 69 0.046 -0.767 -7.455 1.00 0.00 C ATOM 1083 C PHE A 69 -0.466 -1.769 -8.488 1.00 0.00 C ATOM 1084 O PHE A 69 0.324 -2.441 -9.150 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.118 -1.350 -6.050 1.00 0.00 C ATOM 1086 CG PHE A 69 0.548 -2.685 -5.872 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.928 -2.784 -5.811 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.208 -3.842 -5.770 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.543 -4.011 -5.650 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.400 -5.073 -5.611 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.777 -5.157 -5.550 1.00 0.00 C ATOM 0 H PHE A 69 -1.229 0.744 -6.751 1.00 0.00 H new ATOM 0 HA PHE A 69 1.101 -0.587 -7.661 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.293 -0.648 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.181 -1.451 -5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.531 -1.891 -5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.285 -3.781 -5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.620 -4.074 -5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.201 -5.967 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.255 -6.117 -5.424 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.783 -1.871 -8.620 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.384 -2.817 -9.557 1.00 0.00 C ATOM 1103 C GLN A 70 -1.936 -2.553 -10.996 1.00 0.00 C ATOM 1104 O GLN A 70 -1.394 -3.434 -11.661 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.919 -2.775 -9.450 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.564 -1.511 -9.999 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.073 -1.519 -9.852 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.612 -1.063 -8.843 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.763 -2.042 -10.858 1.00 0.00 N ATOM 0 H GLN A 70 -2.455 -1.313 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.039 -3.815 -9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.329 -3.635 -9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.199 -2.883 -8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.156 -0.644 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.305 -1.403 -11.052 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.275 -2.408 -11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.781 -2.077 -10.814 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.143 -1.332 -11.457 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.792 -0.944 -12.818 1.00 0.00 C ATOM 1120 C LYS A 71 -0.287 -0.985 -13.070 1.00 0.00 C ATOM 1121 O LYS A 71 0.153 -0.814 -14.207 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.320 0.464 -13.104 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.830 0.529 -13.287 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.228 0.388 -14.750 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.156 -1.056 -15.219 1.00 0.00 C ATOM 1126 NZ LYS A 71 -5.086 -1.934 -14.455 1.00 0.00 N ATOM 0 H LYS A 71 -2.557 -0.582 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.254 -1.668 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.034 1.123 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.838 0.847 -14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.301 -0.262 -12.704 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.203 1.477 -12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.241 0.765 -14.889 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.572 1.003 -15.366 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.399 -1.106 -16.280 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.136 -1.424 -15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.280 -2.795 -15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.651 -2.193 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.977 -1.427 -14.280 1.00 0.00 H new ATOM 1140 N LEU A 72 0.507 -1.210 -12.026 1.00 0.00 N ATOM 1141 CA LEU A 72 1.959 -1.202 -12.190 1.00 0.00 C ATOM 1142 C LEU A 72 2.633 -2.566 -12.070 1.00 0.00 C ATOM 1143 O LEU A 72 3.550 -2.868 -12.836 1.00 0.00 O ATOM 1144 CB LEU A 72 2.553 -0.308 -11.113 1.00 0.00 C ATOM 1145 CG LEU A 72 3.003 1.077 -11.569 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.201 0.975 -12.501 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.860 1.820 -12.245 1.00 0.00 C ATOM 0 H LEU A 72 0.180 -1.396 -11.078 1.00 0.00 H new ATOM 0 HA LEU A 72 2.141 -0.850 -13.206 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.814 -0.186 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.409 -0.821 -10.674 1.00 0.00 H new ATOM 0 HG LEU A 72 3.304 1.643 -10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.505 1.974 -12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.027 0.491 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.931 0.387 -13.378 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.203 2.805 -12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.523 1.256 -13.115 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.034 1.932 -11.543 1.00 0.00 H new ATOM 1159 N ASN A 73 2.197 -3.392 -11.130 1.00 0.00 N ATOM 1160 CA ASN A 73 2.847 -4.688 -10.937 1.00 0.00 C ATOM 1161 C ASN A 73 1.905 -5.886 -11.030 1.00 0.00 C ATOM 1162 O ASN A 73 2.173 -6.836 -11.768 1.00 0.00 O ATOM 1163 CB ASN A 73 3.550 -4.704 -9.577 1.00 0.00 C ATOM 1164 CG ASN A 73 4.736 -5.654 -9.531 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.699 -5.421 -8.802 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.674 -6.732 -10.305 1.00 0.00 N ATOM 0 H ASN A 73 1.417 -3.199 -10.502 1.00 0.00 H new ATOM 0 HA ASN A 73 3.557 -4.795 -11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.890 -3.696 -9.338 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.833 -4.990 -8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.443 -7.402 -10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.857 -6.889 -10.896 1.00 0.00 H new ATOM 1173 N TYR A 74 0.805 -5.840 -10.293 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.118 -6.978 -10.246 1.00 0.00 C ATOM 1175 C TYR A 74 -1.590 -6.582 -10.316 1.00 0.00 C ATOM 1176 O TYR A 74 -2.339 -6.805 -9.364 1.00 0.00 O ATOM 1177 CB TYR A 74 0.135 -7.809 -8.988 1.00 0.00 C ATOM 1178 CG TYR A 74 1.425 -8.598 -9.030 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.573 -9.679 -9.891 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.493 -8.266 -8.206 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.748 -10.406 -9.930 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.671 -8.988 -8.241 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.793 -10.056 -9.104 1.00 0.00 C ATOM 1184 OH TYR A 74 4.965 -10.777 -9.140 1.00 0.00 O ATOM 0 H TYR A 74 0.527 -5.040 -9.724 1.00 0.00 H new ATOM 0 HA TYR A 74 0.085 -7.568 -11.139 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.153 -7.146 -8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.697 -8.498 -8.845 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.756 -9.956 -10.541 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.401 -7.431 -7.528 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.846 -11.244 -10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.493 -8.717 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 74 5.601 -10.400 -8.497 1.00 0.00 H new ATOM 1194 N MET A 75 -2.002 -5.984 -11.427 1.00 0.00 N ATOM 1195 CA MET A 75 -3.394 -5.576 -11.596 1.00 0.00 C ATOM 1196 C MET A 75 -4.346 -6.734 -11.294 1.00 0.00 C ATOM 1197 O MET A 75 -5.528 -6.523 -11.020 1.00 0.00 O ATOM 1198 CB MET A 75 -3.627 -5.069 -13.022 1.00 0.00 C ATOM 1199 CG MET A 75 -3.349 -6.112 -14.092 1.00 0.00 C ATOM 1200 SD MET A 75 -3.505 -5.453 -15.763 1.00 0.00 S ATOM 1201 CE MET A 75 -3.174 -6.920 -16.736 1.00 0.00 C ATOM 0 H MET A 75 -1.398 -5.771 -12.221 1.00 0.00 H new ATOM 0 HA MET A 75 -3.598 -4.771 -10.890 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.659 -4.732 -13.115 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.991 -4.201 -13.198 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.343 -6.508 -13.955 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.040 -6.946 -13.969 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.005 -6.637 -17.775 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.288 -7.422 -16.348 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.028 -7.595 -16.678 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.823 -7.957 -11.346 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.621 -9.148 -11.069 1.00 0.00 C ATOM 1213 C HIS A 76 -4.762 -9.388 -9.564 1.00 0.00 C ATOM 1214 O HIS A 76 -5.867 -9.565 -9.054 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.989 -10.375 -11.729 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.018 -10.337 -13.226 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.934 -11.023 -13.994 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -3.214 -9.681 -14.101 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -4.665 -10.768 -15.281 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -3.630 -9.959 -15.401 1.00 0.00 N ATOM 0 H HIS A 76 -2.848 -8.149 -11.578 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.615 -8.984 -11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.955 -10.463 -11.397 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.510 -11.269 -11.387 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -5.684 -11.619 -13.644 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.384 -9.045 -13.832 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.223 -11.172 -16.113 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.629 -9.391 -8.863 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.613 -9.621 -7.419 1.00 0.00 C ATOM 1230 C ILE A 77 -4.396 -8.549 -6.663 1.00 0.00 C ATOM 1231 O ILE A 77 -5.242 -8.861 -5.824 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.164 -9.664 -6.880 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.430 -10.889 -7.437 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.150 -9.669 -5.354 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.003 -11.023 -6.948 1.00 0.00 C ATOM 0 H ILE A 77 -2.708 -9.236 -9.273 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.093 -10.585 -7.252 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.644 -8.766 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.983 -11.787 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.427 -10.835 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.120 -9.700 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.635 -8.766 -4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.686 -10.545 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.450 -11.913 -7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.567 -10.143 -7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.003 -11.110 -5.861 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.106 -7.289 -6.963 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.769 -6.168 -6.304 1.00 0.00 C ATOM 1249 C ALA A 78 -6.285 -6.224 -6.469 1.00 0.00 C ATOM 1250 O ALA A 78 -7.025 -5.756 -5.606 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.229 -4.851 -6.835 1.00 0.00 C ATOM 0 H ALA A 78 -3.414 -7.016 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.554 -6.241 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.732 -4.023 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.158 -4.793 -6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.409 -4.790 -7.908 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.742 -6.790 -7.583 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.173 -6.895 -7.858 1.00 0.00 C ATOM 1259 C ASN A 79 -8.917 -7.539 -6.690 1.00 0.00 C ATOM 1260 O ASN A 79 -10.056 -7.182 -6.396 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.412 -7.704 -9.133 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.886 -7.894 -9.429 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.501 -8.862 -8.982 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.461 -6.968 -10.187 1.00 0.00 N ATOM 0 H ASN A 79 -6.143 -7.183 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.559 -5.885 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.937 -7.199 -9.975 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.935 -8.679 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.451 -7.043 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.913 -6.182 -10.536 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.276 -8.502 -6.041 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.881 -9.186 -4.904 1.00 0.00 C ATOM 1273 C ALA A 80 -8.914 -8.286 -3.672 1.00 0.00 C ATOM 1274 O ALA A 80 -9.829 -8.370 -2.853 1.00 0.00 O ATOM 1275 CB ALA A 80 -8.127 -10.470 -4.599 1.00 0.00 C ATOM 0 H ALA A 80 -7.339 -8.827 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.909 -9.433 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.589 -10.970 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.161 -11.127 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.089 -10.235 -4.362 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.906 -7.427 -3.549 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.797 -6.523 -2.406 1.00 0.00 C ATOM 1283 C LEU A 81 -8.818 -5.388 -2.453 1.00 0.00 C ATOM 1284 O LEU A 81 -9.407 -5.043 -1.430 1.00 0.00 O ATOM 1285 CB LEU A 81 -6.381 -5.946 -2.319 1.00 0.00 C ATOM 1286 CG LEU A 81 -5.305 -6.912 -1.805 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -5.685 -7.466 -0.438 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -5.081 -8.045 -2.797 1.00 0.00 C ATOM 0 H LEU A 81 -7.151 -7.337 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.011 -7.114 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.088 -5.597 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.402 -5.073 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.373 -6.357 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.908 -8.148 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.788 -6.645 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.631 -8.002 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.314 -8.718 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.011 -8.596 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.757 -7.633 -3.753 1.00 0.00 H new ATOM 1300 N GLU A 82 -9.025 -4.801 -3.630 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.973 -3.697 -3.768 1.00 0.00 C ATOM 1302 C GLU A 82 -11.356 -4.090 -3.255 1.00 0.00 C ATOM 1303 O GLU A 82 -12.140 -3.236 -2.841 1.00 0.00 O ATOM 1304 CB GLU A 82 -10.062 -3.228 -5.224 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.660 -4.255 -6.169 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.811 -3.726 -7.583 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.856 -3.870 -8.375 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.884 -3.170 -7.899 1.00 0.00 O ATOM 0 H GLU A 82 -8.554 -5.068 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.604 -2.871 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.661 -2.319 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.063 -2.967 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.028 -5.143 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.636 -4.564 -5.794 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.649 -5.386 -3.284 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.935 -5.890 -2.816 1.00 0.00 C ATOM 1317 C GLU A 83 -13.048 -5.764 -1.299 1.00 0.00 C ATOM 1318 O GLU A 83 -14.133 -5.541 -0.762 1.00 0.00 O ATOM 1319 CB GLU A 83 -13.116 -7.351 -3.235 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.081 -7.560 -4.741 1.00 0.00 C ATOM 1321 CD GLU A 83 -14.174 -6.795 -5.461 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -15.298 -7.327 -5.570 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.904 -5.664 -5.919 1.00 0.00 O ATOM 0 H GLU A 83 -11.013 -6.106 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.722 -5.289 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.332 -7.952 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.067 -7.716 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.110 -7.247 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.183 -8.623 -4.959 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.915 -5.909 -0.617 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.867 -5.813 0.839 1.00 0.00 C ATOM 1332 C LYS A 84 -12.401 -4.468 1.324 1.00 0.00 C ATOM 1333 O LYS A 84 -12.936 -4.367 2.429 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.434 -6.020 1.334 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.303 -6.016 2.849 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.901 -6.408 3.291 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.606 -7.871 2.992 1.00 0.00 C ATOM 1338 NZ LYS A 84 -9.525 -8.785 3.726 1.00 0.00 N ATOM 0 H LYS A 84 -11.012 -6.095 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.505 -6.596 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.059 -6.968 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.800 -5.235 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.542 -5.024 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.027 -6.708 3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.170 -5.778 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.792 -6.226 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.698 -8.048 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.575 -8.097 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.127 -9.746 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.639 -8.451 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.452 -8.798 3.254 1.00 0.00 H new ATOM 1352 N LYS A 85 -12.248 -3.438 0.495 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.710 -2.096 0.840 1.00 0.00 C ATOM 1354 C LYS A 85 -14.168 -2.117 1.286 1.00 0.00 C ATOM 1355 O LYS A 85 -14.569 -1.353 2.164 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.545 -1.157 -0.358 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.958 0.279 -0.072 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.880 1.136 -1.325 1.00 0.00 C ATOM 1359 CE LYS A 85 -13.263 2.579 -1.041 1.00 0.00 C ATOM 1360 NZ LYS A 85 -13.229 3.414 -2.274 1.00 0.00 N ATOM 0 H LYS A 85 -11.807 -3.507 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.103 -1.732 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.503 -1.169 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.137 -1.537 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.975 0.296 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.312 0.699 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.868 1.100 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.542 0.727 -2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.263 2.611 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.581 2.997 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.413 4.407 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.293 3.336 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.957 3.082 -2.938 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.957 -2.996 0.674 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.371 -3.118 1.012 1.00 0.00 C ATOM 1376 C LYS A 86 -16.549 -3.426 2.495 1.00 0.00 C ATOM 1377 O LYS A 86 -17.464 -2.916 3.141 1.00 0.00 O ATOM 1378 CB LYS A 86 -17.024 -4.214 0.167 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.849 -4.017 -1.331 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.596 -2.786 -1.823 1.00 0.00 C ATOM 1381 CE LYS A 86 -17.345 -2.539 -3.301 1.00 0.00 C ATOM 1382 NZ LYS A 86 -17.770 -3.696 -4.137 1.00 0.00 N ATOM 0 H LYS A 86 -14.641 -3.633 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.857 -2.166 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.602 -5.178 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.089 -4.252 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.789 -3.918 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.211 -4.899 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.665 -2.914 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.282 -1.914 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.884 -1.646 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.285 -2.345 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.758 -3.422 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.117 -4.491 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.733 -3.984 -3.868 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.664 -4.264 3.029 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.716 -4.639 4.438 1.00 0.00 C ATOM 1398 C GLU A 87 -15.166 -3.518 5.313 1.00 0.00 C ATOM 1399 O GLU A 87 -15.565 -3.363 6.467 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.919 -5.924 4.676 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.006 -6.436 6.104 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.150 -7.667 6.334 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -14.642 -8.787 6.080 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -12.990 -7.511 6.767 1.00 0.00 O ATOM 0 H GLU A 87 -14.902 -4.696 2.506 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.758 -4.813 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.281 -6.697 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.873 -5.745 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.694 -5.647 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.044 -6.670 6.340 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.243 -2.743 4.753 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.632 -1.634 5.473 1.00 0.00 C ATOM 1413 C ALA A 88 -14.674 -0.590 5.857 1.00 0.00 C ATOM 1414 O ALA A 88 -14.521 0.117 6.854 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.534 -1.001 4.632 1.00 0.00 C ATOM 0 H ALA A 88 -13.902 -2.864 3.800 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.192 -2.026 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.086 -0.174 5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.770 -1.746 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.959 -0.629 3.700 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.730 -0.496 5.056 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.803 0.461 5.301 1.00 0.00 C ATOM 1423 C GLU A 89 -17.371 0.303 6.710 1.00 0.00 C ATOM 1424 O GLU A 89 -17.432 1.266 7.475 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.917 0.283 4.268 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.461 0.518 2.836 1.00 0.00 C ATOM 1427 CD GLU A 89 -16.940 1.924 2.610 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -15.731 2.151 2.826 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -17.741 2.797 2.218 1.00 0.00 O ATOM 0 H GLU A 89 -15.866 -1.074 4.227 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.386 1.464 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.321 -0.726 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.730 0.972 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.679 -0.199 2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.294 0.331 2.159 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.784 -0.915 7.048 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.353 -1.192 8.364 1.00 0.00 C ATOM 1438 C ARG A 90 -17.280 -1.163 9.450 1.00 0.00 C ATOM 1439 O ARG A 90 -17.593 -1.113 10.640 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.058 -2.551 8.367 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.140 -3.717 8.033 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.857 -5.051 8.177 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.336 -5.269 9.538 1.00 0.00 N ATOM 1444 CZ ARG A 90 -19.867 -6.413 9.959 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -19.987 -7.441 9.129 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -20.281 -6.529 11.213 1.00 0.00 N ATOM 0 H ARG A 90 -17.736 -1.725 6.430 1.00 0.00 H new ATOM 0 HA ARG A 90 -19.081 -0.410 8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.501 -2.718 9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.877 -2.527 7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.770 -3.610 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.271 -3.697 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.699 -5.087 7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.181 -5.858 7.897 1.00 0.00 H new ATOM 0 HE ARG A 90 -19.259 -4.500 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.671 -7.356 8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.395 -8.316 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -20.192 -5.741 11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -20.688 -7.406 11.536 1.00 0.00 H new ATOM 1460 N LYS A 91 -16.017 -1.194 9.036 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.903 -1.175 9.981 1.00 0.00 C ATOM 1462 C LYS A 91 -14.630 0.238 10.489 1.00 0.00 C ATOM 1463 O LYS A 91 -14.195 0.423 11.625 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.641 -1.745 9.332 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.694 -3.249 9.115 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.424 -3.766 8.454 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.291 -3.938 9.459 1.00 0.00 C ATOM 1468 NZ LYS A 91 -10.843 -2.637 10.029 1.00 0.00 N ATOM 0 H LYS A 91 -15.739 -1.232 8.055 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.181 -1.797 10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.482 -1.253 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.781 -1.507 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.836 -3.750 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.555 -3.497 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.629 -4.721 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.114 -3.073 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.620 -4.593 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.448 -4.430 8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.847 -2.710 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.941 -1.891 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.428 -2.400 10.856 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.888 1.230 9.644 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.665 2.624 10.012 1.00 0.00 C ATOM 1484 C LEU A 92 -15.839 3.173 10.818 1.00 0.00 C ATOM 1485 O LEU A 92 -15.921 4.375 11.072 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.446 3.477 8.762 1.00 0.00 C ATOM 1487 CG LEU A 92 -13.197 3.128 7.947 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -13.135 3.967 6.681 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.939 3.328 8.780 1.00 0.00 C ATOM 0 H LEU A 92 -15.251 1.095 8.700 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.771 2.668 10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.320 3.380 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.385 4.523 9.061 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.257 2.077 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.241 3.705 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.019 3.774 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -13.100 5.024 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.063 3.075 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.874 4.369 9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.978 2.684 9.658 1.00 0.00 H new ATOM 1501 N MET A 93 -16.744 2.286 11.218 1.00 0.00 N ATOM 1502 CA MET A 93 -17.908 2.684 11.998 1.00 0.00 C ATOM 1503 C MET A 93 -17.591 2.672 13.490 1.00 0.00 C ATOM 1504 O MET A 93 -18.229 3.374 14.277 1.00 0.00 O ATOM 1505 CB MET A 93 -19.089 1.758 11.704 1.00 0.00 C ATOM 1506 CG MET A 93 -19.507 1.752 10.243 1.00 0.00 C ATOM 1507 SD MET A 93 -19.847 3.407 9.608 1.00 0.00 S ATOM 1508 CE MET A 93 -21.148 3.939 10.718 1.00 0.00 C ATOM 0 H MET A 93 -16.693 1.288 11.015 1.00 0.00 H new ATOM 0 HA MET A 93 -18.177 3.701 11.711 1.00 0.00 H new ATOM 0 HB2 MET A 93 -18.827 0.743 12.003 1.00 0.00 H new ATOM 0 HB3 MET A 93 -19.939 2.061 12.315 1.00 0.00 H new ATOM 0 HG2 MET A 93 -18.719 1.293 9.646 1.00 0.00 H new ATOM 0 HG3 MET A 93 -20.397 1.133 10.127 1.00 0.00 H new ATOM 0 HE1 MET A 93 -21.633 4.826 10.311 1.00 0.00 H new ATOM 0 HE2 MET A 93 -21.883 3.141 10.826 1.00 0.00 H new ATOM 0 HE3 MET A 93 -20.721 4.174 11.693 1.00 0.00 H new ATOM 1518 N THR A 94 -16.599 1.871 13.871 1.00 0.00 N ATOM 1519 CA THR A 94 -16.189 1.767 15.267 1.00 0.00 C ATOM 1520 C THR A 94 -14.776 2.303 15.464 1.00 0.00 C ATOM 1521 O THR A 94 -13.956 2.268 14.546 1.00 0.00 O ATOM 1522 CB THR A 94 -16.247 0.311 15.766 1.00 0.00 C ATOM 1523 OG1 THR A 94 -15.783 0.238 17.119 1.00 0.00 O ATOM 1524 CG2 THR A 94 -15.401 -0.599 14.886 1.00 0.00 C ATOM 0 H THR A 94 -16.064 1.284 13.231 1.00 0.00 H new ATOM 0 HA THR A 94 -16.889 2.368 15.847 1.00 0.00 H new ATOM 0 HB THR A 94 -17.283 -0.024 15.718 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.825 -0.691 17.429 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.458 -1.622 15.259 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.774 -0.565 13.862 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.364 -0.263 14.906 1.00 0.00 H new ATOM 1532 N ASN A 95 -14.496 2.796 16.665 1.00 0.00 N ATOM 1533 CA ASN A 95 -13.179 3.340 16.981 1.00 0.00 C ATOM 1534 C ASN A 95 -12.747 2.934 18.386 1.00 0.00 C ATOM 1535 O ASN A 95 -12.067 1.895 18.517 1.00 0.00 O ATOM 1536 CB ASN A 95 -13.190 4.864 16.857 1.00 0.00 C ATOM 1537 CG ASN A 95 -11.835 5.480 17.151 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -10.796 4.870 16.902 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -11.842 6.696 17.684 1.00 0.00 N ATOM 1540 OXT ASN A 95 -13.090 3.660 19.343 1.00 0.00 O ATOM 0 H ASN A 95 -15.163 2.831 17.436 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.463 2.931 16.268 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.501 5.141 15.850 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -13.930 5.276 17.544 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.961 7.162 17.904 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.728 7.165 17.874 1.00 0.00 H new TER 1547 ASN A 95