USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1017 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 90 THR OG1 : rot 180:sc= -1.03 USER MOD Set 1.2: A 93 ASN : amide:sc= -1.63 K(o=-2.7,f=-3.3) USER MOD Set 2.1: A 56 SER OG : rot 140:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -1.74 F(o=-9.5!,f=-6.3) USER MOD Set 3.2: A 147 ASN :FLIP amide:sc= -4.58! F(o=-7,f=-6.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -130:sc= -0.0165 (180deg=-2.54!) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 0.227 (180deg=0.038) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.43) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 158:sc= -7.43! (180deg=-8.82!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 68 HIS : no HD1:sc= -0.364 K(o=-0.36,f=-1.8) USER MOD Single : A 72 HIS : no HD1:sc= -0.0098 X(o=-0.0098,f=0) USER MOD Single : A 73 SER OG : rot 33:sc= 0.0109 USER MOD Single : A 85 TYR OH : rot 30:sc=-0.00464 USER MOD Single : A 88 MET CE :methyl -166:sc= -9.25! (180deg=-10.7!) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.607 USER MOD Single : A 99 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.098) USER MOD Single : A 103 ASN : amide:sc= -2.44 X(o=-2.4,f=-2.4) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0.064 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -59:sc= 0.0253 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -3.42 K(o=-3.4,f=-6!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.495 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc=0.000344 USER MOD Single : A 121 LYS NZ :NH3+ -147:sc= -0.369 (180deg=-1.54!) USER MOD Single : A 127 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.3!) USER MOD Single : A 133 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -1.87 K(o=-1.9,f=-6.5!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.3!) USER MOD Single : A 145 TYR OH : rot 30:sc= -0.0197 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.179 -3.178 -18.315 1.00 0.00 N ATOM 23 CA ILE A 10 -8.997 -2.507 -17.793 1.00 0.00 C ATOM 24 C ILE A 10 -9.268 -1.912 -16.412 1.00 0.00 C ATOM 25 O ILE A 10 -8.600 -2.261 -15.438 1.00 0.00 O ATOM 26 CB ILE A 10 -8.524 -1.395 -18.753 1.00 0.00 C ATOM 27 CG1 ILE A 10 -8.065 -2.008 -20.076 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.403 -0.577 -18.127 1.00 0.00 C ATOM 29 CD1 ILE A 10 -9.177 -2.164 -21.088 1.00 0.00 C ATOM 0 HA ILE A 10 -8.210 -3.256 -17.705 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.362 -0.725 -18.945 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.281 -1.383 -20.504 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.623 -2.985 -19.880 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.087 0.200 -18.823 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.760 -0.116 -17.206 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.558 -1.229 -17.903 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.778 -2.605 -22.002 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.952 -2.813 -20.680 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.604 -1.187 -21.313 1.00 0.00 H new ATOM 41 N ARG A 11 -10.250 -1.017 -16.331 1.00 0.00 N ATOM 42 CA ARG A 11 -10.602 -0.384 -15.063 1.00 0.00 C ATOM 43 C ARG A 11 -10.827 -1.436 -13.980 1.00 0.00 C ATOM 44 O ARG A 11 -10.560 -1.198 -12.801 1.00 0.00 O ATOM 45 CB ARG A 11 -11.855 0.479 -15.223 1.00 0.00 C ATOM 46 CG ARG A 11 -12.275 1.185 -13.942 1.00 0.00 C ATOM 47 CD ARG A 11 -11.401 2.397 -13.658 1.00 0.00 C ATOM 48 NE ARG A 11 -11.987 3.629 -14.182 1.00 0.00 N ATOM 49 CZ ARG A 11 -12.966 4.297 -13.579 1.00 0.00 C ATOM 50 NH1 ARG A 11 -13.471 3.860 -12.432 1.00 0.00 N ATOM 51 NH2 ARG A 11 -13.442 5.409 -14.124 1.00 0.00 N ATOM 0 H ARG A 11 -10.814 -0.715 -17.125 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.772 0.255 -14.762 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.676 1.225 -15.997 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.677 -0.148 -15.569 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.316 1.497 -14.023 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.215 0.489 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.254 2.494 -12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.417 2.246 -14.102 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.624 3.998 -15.061 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.108 3.007 -12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.222 4.378 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.057 5.751 -15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.193 5.922 -13.662 1.00 0.00 H new ATOM 65 N GLU A 12 -11.311 -2.601 -14.392 1.00 0.00 N ATOM 66 CA GLU A 12 -11.561 -3.692 -13.460 1.00 0.00 C ATOM 67 C GLU A 12 -10.259 -4.136 -12.805 1.00 0.00 C ATOM 68 O GLU A 12 -10.153 -4.173 -11.579 1.00 0.00 O ATOM 69 CB GLU A 12 -12.218 -4.871 -14.179 1.00 0.00 C ATOM 70 CG GLU A 12 -13.721 -4.720 -14.345 1.00 0.00 C ATOM 71 CD GLU A 12 -14.461 -6.034 -14.182 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.052 -7.027 -14.818 1.00 0.00 O ATOM 73 OE2 GLU A 12 -15.448 -6.068 -13.419 1.00 0.00 O ATOM 0 H GLU A 12 -11.538 -2.814 -15.363 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.240 -3.335 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.762 -4.986 -15.162 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.012 -5.786 -13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.094 -4.004 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.934 -4.307 -15.331 1.00 0.00 H new ATOM 80 N ARG A 13 -9.265 -4.462 -13.631 1.00 0.00 N ATOM 81 CA ARG A 13 -7.961 -4.895 -13.133 1.00 0.00 C ATOM 82 C ARG A 13 -7.460 -3.949 -12.048 1.00 0.00 C ATOM 83 O ARG A 13 -6.835 -4.373 -11.077 1.00 0.00 O ATOM 84 CB ARG A 13 -6.946 -4.956 -14.274 1.00 0.00 C ATOM 85 CG ARG A 13 -6.857 -6.322 -14.938 1.00 0.00 C ATOM 86 CD ARG A 13 -7.283 -6.264 -16.397 1.00 0.00 C ATOM 87 NE ARG A 13 -7.137 -7.558 -17.061 1.00 0.00 N ATOM 88 CZ ARG A 13 -7.917 -8.609 -16.817 1.00 0.00 C ATOM 89 NH1 ARG A 13 -8.901 -8.522 -15.930 1.00 0.00 N ATOM 90 NH2 ARG A 13 -7.713 -9.750 -17.462 1.00 0.00 N ATOM 0 H ARG A 13 -9.339 -4.434 -14.648 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.075 -5.892 -12.706 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.212 -4.213 -15.026 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.963 -4.683 -13.890 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.834 -6.694 -14.871 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.489 -7.030 -14.402 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.322 -5.940 -16.459 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.685 -5.518 -16.920 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.394 -7.662 -17.752 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.062 -7.647 -15.432 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.496 -9.330 -15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.959 -9.822 -18.145 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.310 -10.555 -17.275 1.00 0.00 H new ATOM 104 N GLN A 14 -7.751 -2.664 -12.220 1.00 0.00 N ATOM 105 CA GLN A 14 -7.341 -1.653 -11.255 1.00 0.00 C ATOM 106 C GLN A 14 -7.890 -1.986 -9.873 1.00 0.00 C ATOM 107 O GLN A 14 -7.152 -2.016 -8.888 1.00 0.00 O ATOM 108 CB GLN A 14 -7.832 -0.274 -11.690 1.00 0.00 C ATOM 109 CG GLN A 14 -7.359 0.129 -13.075 1.00 0.00 C ATOM 110 CD GLN A 14 -7.122 1.620 -13.193 1.00 0.00 C ATOM 111 OE1 GLN A 14 -6.333 2.164 -12.275 1.00 0.00 O flip ATOM 112 NE2 GLN A 14 -7.642 2.275 -14.096 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.269 -2.299 -13.019 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.252 -1.642 -11.209 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.922 -0.262 -11.669 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.491 0.468 -10.968 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.437 -0.402 -13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.100 -0.178 -13.813 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.242 1.814 -14.780 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.473 3.279 -14.160 1.00 0.00 H new ATOM 121 N THR A 15 -9.194 -2.236 -9.812 1.00 0.00 N ATOM 122 CA THR A 15 -9.850 -2.568 -8.556 1.00 0.00 C ATOM 123 C THR A 15 -9.428 -3.948 -8.057 1.00 0.00 C ATOM 124 O THR A 15 -9.466 -4.217 -6.859 1.00 0.00 O ATOM 125 CB THR A 15 -11.370 -2.513 -8.715 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.727 -2.167 -10.041 1.00 0.00 O ATOM 127 CG2 THR A 15 -12.022 -1.513 -7.788 1.00 0.00 C ATOM 0 H THR A 15 -9.816 -2.214 -10.620 1.00 0.00 H new ATOM 0 HA THR A 15 -9.542 -1.829 -7.816 1.00 0.00 H new ATOM 0 HB THR A 15 -11.726 -3.512 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.703 -2.139 -10.120 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.100 -1.519 -7.947 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.806 -1.781 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.631 -0.517 -7.994 1.00 0.00 H new ATOM 135 N VAL A 16 -9.025 -4.821 -8.977 1.00 0.00 N ATOM 136 CA VAL A 16 -8.598 -6.167 -8.603 1.00 0.00 C ATOM 137 C VAL A 16 -7.508 -6.109 -7.538 1.00 0.00 C ATOM 138 O VAL A 16 -7.700 -6.577 -6.416 1.00 0.00 O ATOM 139 CB VAL A 16 -8.084 -6.966 -9.819 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.570 -8.331 -9.387 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.181 -7.116 -10.861 1.00 0.00 C ATOM 0 H VAL A 16 -8.985 -4.624 -9.977 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.473 -6.679 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.257 -6.414 -10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.212 -8.878 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.752 -8.204 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.377 -8.891 -8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.800 -7.682 -11.711 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.028 -7.644 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.502 -6.130 -11.196 1.00 0.00 H new ATOM 151 N ALA A 17 -6.367 -5.524 -7.891 1.00 0.00 N ATOM 152 CA ALA A 17 -5.256 -5.400 -6.955 1.00 0.00 C ATOM 153 C ALA A 17 -5.678 -4.614 -5.720 1.00 0.00 C ATOM 154 O ALA A 17 -5.248 -4.908 -4.605 1.00 0.00 O ATOM 155 CB ALA A 17 -4.069 -4.728 -7.627 1.00 0.00 C ATOM 0 H ALA A 17 -6.189 -5.130 -8.815 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.960 -6.401 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.248 -4.643 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.748 -5.325 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.358 -3.734 -7.967 1.00 0.00 H new ATOM 161 N LEU A 18 -6.524 -3.612 -5.932 1.00 0.00 N ATOM 162 CA LEU A 18 -7.010 -2.776 -4.844 1.00 0.00 C ATOM 163 C LEU A 18 -7.872 -3.580 -3.880 1.00 0.00 C ATOM 164 O LEU A 18 -7.498 -3.793 -2.729 1.00 0.00 O ATOM 165 CB LEU A 18 -7.819 -1.608 -5.401 1.00 0.00 C ATOM 166 CG LEU A 18 -6.997 -0.512 -6.081 1.00 0.00 C ATOM 167 CD1 LEU A 18 -7.889 0.363 -6.951 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.268 0.327 -5.042 1.00 0.00 C ATOM 0 H LEU A 18 -6.888 -3.360 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.146 -2.394 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.541 -1.997 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.389 -1.160 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.254 -0.985 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.287 1.137 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.364 -0.250 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.656 0.829 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.688 1.102 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.994 0.791 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.599 -0.310 -4.464 1.00 0.00 H new ATOM 180 N LYS A 19 -9.030 -4.025 -4.360 1.00 0.00 N ATOM 181 CA LYS A 19 -9.949 -4.809 -3.544 1.00 0.00 C ATOM 182 C LYS A 19 -9.232 -6.003 -2.924 1.00 0.00 C ATOM 183 O LYS A 19 -9.517 -6.393 -1.792 1.00 0.00 O ATOM 184 CB LYS A 19 -11.131 -5.291 -4.387 1.00 0.00 C ATOM 185 CG LYS A 19 -12.054 -4.172 -4.838 1.00 0.00 C ATOM 186 CD LYS A 19 -13.335 -4.719 -5.449 1.00 0.00 C ATOM 187 CE LYS A 19 -13.171 -4.992 -6.935 1.00 0.00 C ATOM 188 NZ LYS A 19 -14.122 -6.032 -7.417 1.00 0.00 N ATOM 0 H LYS A 19 -9.354 -3.855 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.322 -4.171 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.751 -5.813 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.707 -6.015 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.298 -3.535 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.540 -3.546 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.619 -5.639 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.145 -4.006 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.329 -4.069 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.149 -5.314 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.978 -6.189 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.955 -6.920 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.098 -5.714 -7.250 1.00 0.00 H new ATOM 202 N ARG A 20 -8.296 -6.573 -3.674 1.00 0.00 N ATOM 203 CA ARG A 20 -7.533 -7.718 -3.199 1.00 0.00 C ATOM 204 C ARG A 20 -6.735 -7.349 -1.953 1.00 0.00 C ATOM 205 O ARG A 20 -6.836 -8.013 -0.922 1.00 0.00 O ATOM 206 CB ARG A 20 -6.592 -8.222 -4.295 1.00 0.00 C ATOM 207 CG ARG A 20 -5.925 -9.547 -3.964 1.00 0.00 C ATOM 208 CD ARG A 20 -4.852 -9.902 -4.982 1.00 0.00 C ATOM 209 NE ARG A 20 -4.946 -11.294 -5.414 1.00 0.00 N ATOM 210 CZ ARG A 20 -4.563 -12.329 -4.669 1.00 0.00 C ATOM 211 NH1 ARG A 20 -4.065 -12.133 -3.455 1.00 0.00 N ATOM 212 NH2 ARG A 20 -4.680 -13.563 -5.139 1.00 0.00 N ATOM 0 H ARG A 20 -8.048 -6.260 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.232 -8.514 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.154 -8.330 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.822 -7.472 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.481 -9.493 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.676 -10.336 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.943 -9.247 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.868 -9.723 -4.549 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.327 -11.484 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.974 -11.186 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.773 -12.930 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.063 -13.719 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.387 -14.356 -4.568 1.00 0.00 H new ATOM 226 N MET A 21 -5.949 -6.280 -2.051 1.00 0.00 N ATOM 227 CA MET A 21 -5.140 -5.826 -0.924 1.00 0.00 C ATOM 228 C MET A 21 -5.974 -4.997 0.051 1.00 0.00 C ATOM 229 O MET A 21 -5.534 -4.705 1.164 1.00 0.00 O ATOM 230 CB MET A 21 -3.944 -5.008 -1.422 1.00 0.00 C ATOM 231 CG MET A 21 -4.314 -3.627 -1.943 1.00 0.00 C ATOM 232 SD MET A 21 -4.349 -2.380 -0.642 1.00 0.00 S ATOM 233 CE MET A 21 -4.324 -0.874 -1.612 1.00 0.00 C ATOM 0 H MET A 21 -5.855 -5.715 -2.895 1.00 0.00 H new ATOM 0 HA MET A 21 -4.773 -6.706 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.228 -4.898 -0.608 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.443 -5.562 -2.215 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.598 -3.328 -2.708 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.292 -3.674 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.547 -0.210 -1.233 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.118 -1.116 -2.655 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.292 -0.378 -1.539 1.00 0.00 H new ATOM 487 N TRP A 38 -7.545 -4.835 11.379 1.00 0.00 N ATOM 488 CA TRP A 38 -7.289 -3.461 10.967 1.00 0.00 C ATOM 489 C TRP A 38 -5.950 -3.355 10.246 1.00 0.00 C ATOM 490 O TRP A 38 -4.924 -3.795 10.762 1.00 0.00 O ATOM 491 CB TRP A 38 -7.284 -2.528 12.179 1.00 0.00 C ATOM 492 CG TRP A 38 -8.649 -2.180 12.689 1.00 0.00 C ATOM 493 CD1 TRP A 38 -9.146 -2.452 13.928 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.688 -1.490 11.983 1.00 0.00 C ATOM 495 NE1 TRP A 38 -10.432 -1.986 14.037 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.788 -1.389 12.857 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.797 -0.950 10.699 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.979 -0.770 12.488 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.981 -0.334 10.336 1.00 0.00 C ATOM 500 CH2 TRP A 38 -12.057 -0.249 11.227 1.00 0.00 C ATOM 0 HA TRP A 38 -8.087 -3.163 10.286 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.716 -2.997 12.983 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.762 -1.609 11.914 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.605 -2.961 14.712 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.026 -2.070 14.862 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.973 -1.012 10.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.811 -0.704 13.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.077 0.089 9.347 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.968 0.238 10.912 1.00 0.00 H new ATOM 511 N LYS A 39 -5.962 -2.757 9.060 1.00 0.00 N ATOM 512 CA LYS A 39 -4.739 -2.585 8.285 1.00 0.00 C ATOM 513 C LYS A 39 -4.634 -1.154 7.766 1.00 0.00 C ATOM 514 O LYS A 39 -5.644 -0.484 7.551 1.00 0.00 O ATOM 515 CB LYS A 39 -4.682 -3.586 7.127 1.00 0.00 C ATOM 516 CG LYS A 39 -5.665 -3.293 6.007 1.00 0.00 C ATOM 517 CD LYS A 39 -5.854 -4.504 5.104 1.00 0.00 C ATOM 518 CE LYS A 39 -4.542 -4.941 4.472 1.00 0.00 C ATOM 519 NZ LYS A 39 -4.681 -6.224 3.726 1.00 0.00 N ATOM 0 H LYS A 39 -6.801 -2.385 8.616 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.889 -2.778 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.672 -3.594 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.877 -4.586 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.625 -3.000 6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.306 -2.450 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.272 -5.328 5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.574 -4.266 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.190 -4.164 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.785 -5.053 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.765 -6.716 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.387 -6.825 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.989 -6.028 2.752 1.00 0.00 H new ATOM 533 N VAL A 40 -3.406 -0.688 7.587 1.00 0.00 N ATOM 534 CA VAL A 40 -3.156 0.663 7.117 1.00 0.00 C ATOM 535 C VAL A 40 -2.902 0.682 5.614 1.00 0.00 C ATOM 536 O VAL A 40 -2.550 -0.337 5.024 1.00 0.00 O ATOM 537 CB VAL A 40 -1.947 1.269 7.870 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.036 2.055 6.940 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.421 2.136 9.026 1.00 0.00 C ATOM 0 H VAL A 40 -2.562 -1.233 7.763 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.042 1.265 7.318 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.360 0.443 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.200 2.463 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.656 1.395 6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.598 2.870 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.558 2.554 9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.042 2.946 8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.003 1.530 9.720 1.00 0.00 H new ATOM 549 N LEU A 41 -3.065 1.850 5.006 1.00 0.00 N ATOM 550 CA LEU A 41 -2.834 2.008 3.585 1.00 0.00 C ATOM 551 C LEU A 41 -2.196 3.368 3.315 1.00 0.00 C ATOM 552 O LEU A 41 -2.637 4.387 3.845 1.00 0.00 O ATOM 553 CB LEU A 41 -4.150 1.855 2.805 1.00 0.00 C ATOM 554 CG LEU A 41 -4.485 3.001 1.844 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.832 2.772 0.485 1.00 0.00 C ATOM 556 CD2 LEU A 41 -5.989 3.151 1.697 1.00 0.00 C ATOM 0 H LEU A 41 -3.358 2.703 5.482 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.152 1.229 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.108 0.927 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.966 1.754 3.520 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.087 3.926 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.082 3.597 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.750 2.718 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.196 1.837 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.208 3.969 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.410 2.226 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.430 3.366 2.670 1.00 0.00 H new ATOM 568 N ILE A 42 -1.170 3.378 2.481 1.00 0.00 N ATOM 569 CA ILE A 42 -0.487 4.612 2.127 1.00 0.00 C ATOM 570 C ILE A 42 -0.344 4.709 0.617 1.00 0.00 C ATOM 571 O ILE A 42 0.433 3.978 0.002 1.00 0.00 O ATOM 572 CB ILE A 42 0.899 4.729 2.812 1.00 0.00 C ATOM 573 CG1 ILE A 42 0.777 5.499 4.125 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.897 5.431 1.911 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.285 4.660 5.273 1.00 0.00 C ATOM 0 H ILE A 42 -0.790 2.543 2.035 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.094 5.442 2.488 1.00 0.00 H new ATOM 0 HB ILE A 42 1.257 3.719 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.750 5.917 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.097 6.339 3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.860 5.499 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.013 4.866 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.537 6.434 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.224 5.273 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.702 4.263 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.977 3.835 5.443 1.00 0.00 H new ATOM 587 N TYR A 43 -1.113 5.609 0.025 1.00 0.00 N ATOM 588 CA TYR A 43 -1.087 5.797 -1.413 1.00 0.00 C ATOM 589 C TYR A 43 -0.355 7.075 -1.792 1.00 0.00 C ATOM 590 O TYR A 43 -0.075 7.927 -0.942 1.00 0.00 O ATOM 591 CB TYR A 43 -2.505 5.842 -1.969 1.00 0.00 C ATOM 592 CG TYR A 43 -3.430 6.712 -1.163 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.536 8.068 -1.424 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.194 6.175 -0.145 1.00 0.00 C ATOM 595 CE1 TYR A 43 -4.385 8.870 -0.686 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.047 6.965 0.599 1.00 0.00 C ATOM 597 CZ TYR A 43 -5.140 8.314 0.325 1.00 0.00 C ATOM 598 OH TYR A 43 -5.988 9.106 1.063 1.00 0.00 O ATOM 0 H TYR A 43 -1.762 6.220 0.520 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.553 4.950 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.475 6.208 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.907 4.829 -2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.946 8.505 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.123 5.120 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.457 9.926 -0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.638 6.530 1.391 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.446 8.558 1.734 1.00 0.00 H new ATOM 608 N ASP A 44 -0.047 7.197 -3.075 1.00 0.00 N ATOM 609 CA ASP A 44 0.640 8.367 -3.593 1.00 0.00 C ATOM 610 C ASP A 44 -0.267 9.114 -4.565 1.00 0.00 C ATOM 611 O ASP A 44 -1.455 8.808 -4.676 1.00 0.00 O ATOM 612 CB ASP A 44 1.933 7.949 -4.290 1.00 0.00 C ATOM 613 CG ASP A 44 3.043 8.969 -4.118 1.00 0.00 C ATOM 614 OD1 ASP A 44 2.976 9.763 -3.157 1.00 0.00 O ATOM 615 OD2 ASP A 44 3.979 8.971 -4.945 1.00 0.00 O ATOM 0 H ASP A 44 -0.265 6.493 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 44 0.889 9.030 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.262 6.989 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.739 7.804 -5.353 1.00 0.00 H new ATOM 620 N ARG A 45 0.292 10.088 -5.268 1.00 0.00 N ATOM 621 CA ARG A 45 -0.477 10.876 -6.235 1.00 0.00 C ATOM 622 C ARG A 45 -1.285 9.962 -7.155 1.00 0.00 C ATOM 623 O ARG A 45 -2.422 10.271 -7.512 1.00 0.00 O ATOM 624 CB ARG A 45 0.438 11.789 -7.068 1.00 0.00 C ATOM 625 CG ARG A 45 1.910 11.407 -7.027 1.00 0.00 C ATOM 626 CD ARG A 45 2.608 12.007 -5.814 1.00 0.00 C ATOM 627 NE ARG A 45 3.376 13.203 -6.154 1.00 0.00 N ATOM 628 CZ ARG A 45 4.658 13.188 -6.516 1.00 0.00 C ATOM 629 NH1 ARG A 45 5.320 12.041 -6.605 1.00 0.00 N ATOM 630 NH2 ARG A 45 5.279 14.326 -6.796 1.00 0.00 N ATOM 0 H ARG A 45 1.273 10.356 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.165 11.507 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.100 11.775 -8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.331 12.814 -6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.005 10.321 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.402 11.750 -7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.865 12.258 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.273 11.263 -5.375 1.00 0.00 H new ATOM 0 HE ARG A 45 2.901 14.105 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.847 11.162 -6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.301 12.039 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.775 15.211 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.261 14.317 -7.073 1.00 0.00 H new ATOM 644 N PHE A 46 -0.700 8.826 -7.523 1.00 0.00 N ATOM 645 CA PHE A 46 -1.384 7.872 -8.382 1.00 0.00 C ATOM 646 C PHE A 46 -2.263 6.953 -7.545 1.00 0.00 C ATOM 647 O PHE A 46 -3.416 6.700 -7.892 1.00 0.00 O ATOM 648 CB PHE A 46 -0.380 7.056 -9.196 1.00 0.00 C ATOM 649 CG PHE A 46 -0.349 7.434 -10.650 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.277 8.600 -11.062 1.00 0.00 C ATOM 651 CD2 PHE A 46 -0.943 6.624 -11.605 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.309 8.951 -12.398 1.00 0.00 C ATOM 653 CE2 PHE A 46 -0.915 6.971 -12.943 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.288 8.135 -13.339 1.00 0.00 C ATOM 0 H PHE A 46 0.240 8.547 -7.241 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.014 8.424 -9.079 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.615 7.189 -8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.625 5.998 -9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.745 9.242 -10.330 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.433 5.711 -11.300 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.800 9.862 -12.706 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.383 6.332 -13.677 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.264 8.408 -14.384 1.00 0.00 H new ATOM 664 N GLY A 47 -1.719 6.469 -6.425 1.00 0.00 N ATOM 665 CA GLY A 47 -2.485 5.601 -5.545 1.00 0.00 C ATOM 666 C GLY A 47 -3.863 6.168 -5.272 1.00 0.00 C ATOM 667 O GLY A 47 -4.854 5.441 -5.263 1.00 0.00 O ATOM 0 H GLY A 47 -0.767 6.663 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.579 4.614 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.950 5.471 -4.604 1.00 0.00 H new ATOM 671 N GLN A 48 -3.919 7.482 -5.081 1.00 0.00 N ATOM 672 CA GLN A 48 -5.179 8.171 -4.837 1.00 0.00 C ATOM 673 C GLN A 48 -5.929 8.352 -6.152 1.00 0.00 C ATOM 674 O GLN A 48 -7.159 8.350 -6.189 1.00 0.00 O ATOM 675 CB GLN A 48 -4.935 9.534 -4.181 1.00 0.00 C ATOM 676 CG GLN A 48 -3.800 10.325 -4.814 1.00 0.00 C ATOM 677 CD GLN A 48 -4.203 11.742 -5.171 1.00 0.00 C ATOM 678 OE1 GLN A 48 -5.297 11.978 -5.686 1.00 0.00 O ATOM 679 NE2 GLN A 48 -3.320 12.695 -4.898 1.00 0.00 N ATOM 0 H GLN A 48 -3.102 8.092 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.780 7.567 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.851 10.123 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.716 9.384 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.955 10.354 -4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.461 9.810 -5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.426 12.454 -4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.536 13.668 -5.115 1.00 0.00 H new ATOM 688 N ASP A 49 -5.166 8.499 -7.234 1.00 0.00 N ATOM 689 CA ASP A 49 -5.737 8.670 -8.565 1.00 0.00 C ATOM 690 C ASP A 49 -6.517 7.432 -9.003 1.00 0.00 C ATOM 691 O ASP A 49 -7.220 7.460 -10.013 1.00 0.00 O ATOM 692 CB ASP A 49 -4.621 8.950 -9.576 1.00 0.00 C ATOM 693 CG ASP A 49 -5.133 9.635 -10.828 1.00 0.00 C ATOM 694 OD1 ASP A 49 -5.531 10.816 -10.738 1.00 0.00 O ATOM 695 OD2 ASP A 49 -5.138 8.991 -11.898 1.00 0.00 O ATOM 0 H ASP A 49 -4.146 8.503 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.427 9.513 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.860 9.575 -9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.139 8.012 -9.850 1.00 0.00 H new ATOM 700 N ILE A 50 -6.370 6.341 -8.257 1.00 0.00 N ATOM 701 CA ILE A 50 -7.041 5.092 -8.588 1.00 0.00 C ATOM 702 C ILE A 50 -7.942 4.615 -7.454 1.00 0.00 C ATOM 703 O ILE A 50 -9.052 4.137 -7.690 1.00 0.00 O ATOM 704 CB ILE A 50 -6.001 4.006 -8.900 1.00 0.00 C ATOM 705 CG1 ILE A 50 -5.085 4.482 -10.028 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.671 2.689 -9.259 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.620 4.313 -9.716 1.00 0.00 C ATOM 0 H ILE A 50 -5.791 6.299 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.664 5.277 -9.463 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.400 3.830 -8.008 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.322 3.929 -10.937 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.287 5.533 -10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.909 1.940 -9.475 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.284 2.353 -8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.301 2.829 -10.137 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.025 4.670 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.369 4.888 -8.824 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.405 3.259 -9.541 1.00 0.00 H new ATOM 719 N ILE A 51 -7.459 4.743 -6.227 1.00 0.00 N ATOM 720 CA ILE A 51 -8.226 4.317 -5.063 1.00 0.00 C ATOM 721 C ILE A 51 -9.563 5.059 -4.978 1.00 0.00 C ATOM 722 O ILE A 51 -10.603 4.451 -4.733 1.00 0.00 O ATOM 723 CB ILE A 51 -7.419 4.507 -3.745 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.538 3.260 -2.863 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.869 5.746 -2.978 1.00 0.00 C ATOM 726 CD1 ILE A 51 -6.202 2.739 -2.368 1.00 0.00 C ATOM 0 H ILE A 51 -6.543 5.137 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.429 3.253 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.374 4.652 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.170 3.490 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.040 2.473 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.281 5.842 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.724 6.631 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.924 5.652 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.362 1.856 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.575 2.477 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.707 3.510 -1.777 1.00 0.00 H new ATOM 738 N SER A 52 -9.527 6.374 -5.175 1.00 0.00 N ATOM 739 CA SER A 52 -10.736 7.191 -5.106 1.00 0.00 C ATOM 740 C SER A 52 -11.764 6.778 -6.164 1.00 0.00 C ATOM 741 O SER A 52 -12.903 6.450 -5.835 1.00 0.00 O ATOM 742 CB SER A 52 -10.383 8.672 -5.270 1.00 0.00 C ATOM 743 OG SER A 52 -10.321 9.322 -4.012 1.00 0.00 O ATOM 0 H SER A 52 -8.676 6.896 -5.383 1.00 0.00 H new ATOM 0 HA SER A 52 -11.185 7.031 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.424 8.767 -5.780 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.128 9.160 -5.899 1.00 0.00 H new ATOM 0 HG SER A 52 -10.092 10.266 -4.142 1.00 0.00 H new ATOM 749 N PRO A 53 -11.386 6.801 -7.454 1.00 0.00 N ATOM 750 CA PRO A 53 -12.294 6.439 -8.548 1.00 0.00 C ATOM 751 C PRO A 53 -13.057 5.140 -8.289 1.00 0.00 C ATOM 752 O PRO A 53 -14.133 4.926 -8.848 1.00 0.00 O ATOM 753 CB PRO A 53 -11.354 6.267 -9.740 1.00 0.00 C ATOM 754 CG PRO A 53 -10.204 7.168 -9.449 1.00 0.00 C ATOM 755 CD PRO A 53 -10.056 7.203 -7.950 1.00 0.00 C ATOM 0 HA PRO A 53 -13.068 7.193 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.030 5.231 -9.842 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.845 6.541 -10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.293 6.799 -9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.385 8.168 -9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.279 6.519 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.782 8.198 -7.598 1.00 0.00 H new ATOM 763 N LEU A 54 -12.502 4.277 -7.443 1.00 0.00 N ATOM 764 CA LEU A 54 -13.147 3.006 -7.124 1.00 0.00 C ATOM 765 C LEU A 54 -13.336 2.837 -5.618 1.00 0.00 C ATOM 766 O LEU A 54 -13.669 1.750 -5.146 1.00 0.00 O ATOM 767 CB LEU A 54 -12.318 1.842 -7.671 1.00 0.00 C ATOM 768 CG LEU A 54 -11.803 2.027 -9.101 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.349 1.593 -9.209 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.666 1.249 -10.082 1.00 0.00 C ATOM 0 H LEU A 54 -11.613 4.432 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.131 3.007 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.465 1.683 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.923 0.936 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.863 3.086 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.003 1.733 -10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.739 2.194 -8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.262 0.541 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.286 1.392 -11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.638 0.189 -9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.694 1.608 -10.027 1.00 0.00 H new ATOM 782 N LEU A 55 -13.110 3.908 -4.863 1.00 0.00 N ATOM 783 CA LEU A 55 -13.242 3.859 -3.416 1.00 0.00 C ATOM 784 C LEU A 55 -13.429 5.255 -2.823 1.00 0.00 C ATOM 785 O LEU A 55 -13.075 6.256 -3.442 1.00 0.00 O ATOM 786 CB LEU A 55 -11.999 3.207 -2.824 1.00 0.00 C ATOM 787 CG LEU A 55 -12.269 2.190 -1.728 1.00 0.00 C ATOM 788 CD1 LEU A 55 -11.101 1.230 -1.611 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.528 2.904 -0.415 1.00 0.00 C ATOM 0 H LEU A 55 -12.835 4.818 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.127 3.273 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.447 2.717 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.353 3.988 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.157 1.611 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.304 0.505 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.963 0.708 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.196 1.786 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.721 2.169 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.655 3.499 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.394 3.557 -0.521 1.00 0.00 H new ATOM 801 N SER A 56 -13.981 5.311 -1.615 1.00 0.00 N ATOM 802 CA SER A 56 -14.204 6.583 -0.935 1.00 0.00 C ATOM 803 C SER A 56 -13.529 6.581 0.434 1.00 0.00 C ATOM 804 O SER A 56 -13.000 5.562 0.873 1.00 0.00 O ATOM 805 CB SER A 56 -15.703 6.859 -0.790 1.00 0.00 C ATOM 806 OG SER A 56 -16.075 8.032 -1.494 1.00 0.00 O ATOM 0 H SER A 56 -14.282 4.492 -1.087 1.00 0.00 H new ATOM 0 HA SER A 56 -13.764 7.377 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.271 6.009 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.956 6.968 0.265 1.00 0.00 H new ATOM 0 HG SER A 56 -16.938 7.888 -1.936 1.00 0.00 H new ATOM 812 N VAL A 57 -13.548 7.730 1.101 1.00 0.00 N ATOM 813 CA VAL A 57 -12.933 7.863 2.418 1.00 0.00 C ATOM 814 C VAL A 57 -13.759 7.160 3.484 1.00 0.00 C ATOM 815 O VAL A 57 -13.220 6.502 4.374 1.00 0.00 O ATOM 816 CB VAL A 57 -12.777 9.342 2.821 1.00 0.00 C ATOM 817 CG1 VAL A 57 -11.690 9.499 3.873 1.00 0.00 C ATOM 818 CG2 VAL A 57 -12.484 10.207 1.606 1.00 0.00 C ATOM 0 H VAL A 57 -13.983 8.584 0.751 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.949 7.400 2.349 1.00 0.00 H new ATOM 0 HB VAL A 57 -13.720 9.678 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.595 10.550 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.953 8.918 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.742 9.141 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.378 11.246 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.559 9.873 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.304 10.123 0.893 1.00 0.00 H new ATOM 828 N LYS A 58 -15.071 7.318 3.393 1.00 0.00 N ATOM 829 CA LYS A 58 -15.983 6.711 4.357 1.00 0.00 C ATOM 830 C LYS A 58 -16.012 5.194 4.221 1.00 0.00 C ATOM 831 O LYS A 58 -16.191 4.481 5.209 1.00 0.00 O ATOM 832 CB LYS A 58 -17.391 7.285 4.193 1.00 0.00 C ATOM 833 CG LYS A 58 -18.036 6.945 2.858 1.00 0.00 C ATOM 834 CD LYS A 58 -18.324 8.197 2.041 1.00 0.00 C ATOM 835 CE LYS A 58 -19.499 7.990 1.100 1.00 0.00 C ATOM 836 NZ LYS A 58 -19.054 7.595 -0.265 1.00 0.00 N ATOM 0 H LYS A 58 -15.530 7.861 2.662 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.616 6.949 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.023 6.910 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -17.347 8.369 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.378 6.284 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.964 6.400 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.536 9.030 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.439 8.469 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.157 7.221 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.082 8.909 1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.885 7.463 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.447 8.340 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.519 6.705 -0.212 1.00 0.00 H new ATOM 850 N GLU A 59 -15.816 4.697 3.006 1.00 0.00 N ATOM 851 CA GLU A 59 -15.802 3.255 2.784 1.00 0.00 C ATOM 852 C GLU A 59 -14.485 2.688 3.288 1.00 0.00 C ATOM 853 O GLU A 59 -14.425 1.564 3.784 1.00 0.00 O ATOM 854 CB GLU A 59 -16.002 2.898 1.303 1.00 0.00 C ATOM 855 CG GLU A 59 -16.431 4.063 0.426 1.00 0.00 C ATOM 856 CD GLU A 59 -16.945 3.617 -0.930 1.00 0.00 C ATOM 857 OE1 GLU A 59 -16.383 2.652 -1.489 1.00 0.00 O ATOM 858 OE2 GLU A 59 -17.909 4.234 -1.431 1.00 0.00 O ATOM 0 H GLU A 59 -15.666 5.261 2.169 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.635 2.816 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.070 2.489 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.751 2.110 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.210 4.629 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.586 4.737 0.286 1.00 0.00 H new ATOM 865 N LEU A 60 -13.435 3.494 3.172 1.00 0.00 N ATOM 866 CA LEU A 60 -12.110 3.104 3.626 1.00 0.00 C ATOM 867 C LEU A 60 -12.136 2.723 5.096 1.00 0.00 C ATOM 868 O LEU A 60 -11.641 1.665 5.485 1.00 0.00 O ATOM 869 CB LEU A 60 -11.129 4.251 3.406 1.00 0.00 C ATOM 870 CG LEU A 60 -10.606 4.371 1.981 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.150 5.792 1.693 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.483 3.375 1.757 1.00 0.00 C ATOM 0 H LEU A 60 -13.480 4.428 2.764 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.788 2.237 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.616 5.187 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.282 4.123 4.081 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.414 4.139 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.780 5.855 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.989 6.476 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.353 6.065 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.114 3.467 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.672 3.578 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.856 2.364 1.919 1.00 0.00 H new ATOM 884 N ARG A 61 -12.719 3.593 5.907 1.00 0.00 N ATOM 885 CA ARG A 61 -12.814 3.348 7.339 1.00 0.00 C ATOM 886 C ARG A 61 -13.886 2.307 7.645 1.00 0.00 C ATOM 887 O ARG A 61 -13.880 1.690 8.709 1.00 0.00 O ATOM 888 CB ARG A 61 -13.136 4.648 8.073 1.00 0.00 C ATOM 889 CG ARG A 61 -12.099 5.740 7.864 1.00 0.00 C ATOM 890 CD ARG A 61 -11.042 5.720 8.957 1.00 0.00 C ATOM 891 NE ARG A 61 -11.613 5.963 10.278 1.00 0.00 N ATOM 892 CZ ARG A 61 -10.907 6.372 11.330 1.00 0.00 C ATOM 893 NH1 ARG A 61 -9.601 6.582 11.220 1.00 0.00 N ATOM 894 NH2 ARG A 61 -11.507 6.571 12.495 1.00 0.00 N ATOM 0 H ARG A 61 -13.133 4.473 5.599 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.852 2.966 7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.107 5.013 7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.223 4.441 9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.622 5.609 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.591 6.713 7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.536 4.755 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.287 6.477 8.744 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.614 5.810 10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.134 6.430 10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.065 6.895 12.029 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.510 6.411 12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.965 6.884 13.301 1.00 0.00 H new ATOM 908 N ASP A 62 -14.815 2.130 6.712 1.00 0.00 N ATOM 909 CA ASP A 62 -15.907 1.180 6.888 1.00 0.00 C ATOM 910 C ASP A 62 -15.566 -0.210 6.349 1.00 0.00 C ATOM 911 O ASP A 62 -16.269 -1.176 6.648 1.00 0.00 O ATOM 912 CB ASP A 62 -17.172 1.703 6.203 1.00 0.00 C ATOM 913 CG ASP A 62 -18.067 2.475 7.152 1.00 0.00 C ATOM 914 OD1 ASP A 62 -18.130 2.104 8.343 1.00 0.00 O ATOM 915 OD2 ASP A 62 -18.707 3.449 6.704 1.00 0.00 O ATOM 0 H ASP A 62 -14.833 2.633 5.825 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.076 1.082 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.891 2.346 5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.728 0.864 5.785 1.00 0.00 H new ATOM 920 N MET A 63 -14.503 -0.324 5.553 1.00 0.00 N ATOM 921 CA MET A 63 -14.127 -1.618 4.999 1.00 0.00 C ATOM 922 C MET A 63 -13.157 -2.354 5.919 1.00 0.00 C ATOM 923 O MET A 63 -13.018 -3.575 5.833 1.00 0.00 O ATOM 924 CB MET A 63 -13.505 -1.439 3.609 1.00 0.00 C ATOM 925 CG MET A 63 -12.017 -1.732 3.563 1.00 0.00 C ATOM 926 SD MET A 63 -11.318 -1.486 1.925 1.00 0.00 S ATOM 927 CE MET A 63 -11.474 0.288 1.789 1.00 0.00 C ATOM 0 H MET A 63 -13.898 0.451 5.283 1.00 0.00 H new ATOM 0 HA MET A 63 -15.031 -2.221 4.911 1.00 0.00 H new ATOM 0 HB2 MET A 63 -14.017 -2.095 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 63 -13.675 -0.416 3.274 1.00 0.00 H new ATOM 0 HG2 MET A 63 -11.501 -1.088 4.275 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.842 -2.761 3.878 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.766 0.660 1.048 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.488 0.541 1.481 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.263 0.747 2.755 1.00 0.00 H new ATOM 937 N GLY A 64 -12.489 -1.615 6.800 1.00 0.00 N ATOM 938 CA GLY A 64 -11.552 -2.241 7.712 1.00 0.00 C ATOM 939 C GLY A 64 -10.184 -1.581 7.731 1.00 0.00 C ATOM 940 O GLY A 64 -9.183 -2.237 8.021 1.00 0.00 O ATOM 0 H GLY A 64 -12.579 -0.604 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.970 -2.220 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.436 -3.289 7.437 1.00 0.00 H new ATOM 944 N ILE A 65 -10.130 -0.284 7.439 1.00 0.00 N ATOM 945 CA ILE A 65 -8.862 0.436 7.448 1.00 0.00 C ATOM 946 C ILE A 65 -8.652 1.157 8.778 1.00 0.00 C ATOM 947 O ILE A 65 -9.583 1.737 9.336 1.00 0.00 O ATOM 948 CB ILE A 65 -8.765 1.443 6.278 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.308 1.596 5.844 1.00 0.00 C ATOM 950 CG2 ILE A 65 -9.351 2.799 6.659 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.106 2.620 4.749 1.00 0.00 C ATOM 0 H ILE A 65 -10.941 0.284 7.196 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.073 -0.306 7.321 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.350 1.053 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.708 1.878 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.937 0.631 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.266 3.482 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.401 2.680 6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.805 3.205 7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.048 2.674 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.678 2.329 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.446 3.596 5.096 1.00 0.00 H new ATOM 963 N THR A 66 -7.424 1.117 9.281 1.00 0.00 N ATOM 964 CA THR A 66 -7.102 1.770 10.548 1.00 0.00 C ATOM 965 C THR A 66 -6.505 3.158 10.318 1.00 0.00 C ATOM 966 O THR A 66 -6.442 3.971 11.241 1.00 0.00 O ATOM 967 CB THR A 66 -6.134 0.915 11.379 1.00 0.00 C ATOM 968 OG1 THR A 66 -5.335 1.730 12.221 1.00 0.00 O ATOM 969 CG2 THR A 66 -5.195 0.061 10.551 1.00 0.00 C ATOM 0 H THR A 66 -6.638 0.643 8.836 1.00 0.00 H new ATOM 0 HA THR A 66 -8.034 1.881 11.103 1.00 0.00 H new ATOM 0 HB THR A 66 -6.779 0.252 11.955 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.727 1.165 12.742 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.545 -0.512 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.776 -0.623 9.932 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.588 0.702 9.912 1.00 0.00 H new ATOM 977 N LEU A 67 -6.062 3.429 9.091 1.00 0.00 N ATOM 978 CA LEU A 67 -5.469 4.723 8.770 1.00 0.00 C ATOM 979 C LEU A 67 -5.076 4.800 7.296 1.00 0.00 C ATOM 980 O LEU A 67 -4.516 3.855 6.737 1.00 0.00 O ATOM 981 CB LEU A 67 -4.249 4.972 9.675 1.00 0.00 C ATOM 982 CG LEU A 67 -3.209 5.987 9.174 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.337 5.384 8.080 1.00 0.00 C ATOM 984 CD2 LEU A 67 -3.882 7.260 8.685 1.00 0.00 C ATOM 0 H LEU A 67 -6.102 2.775 8.310 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.211 5.501 8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.610 5.308 10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.744 4.019 9.834 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.565 6.245 10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.611 6.124 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.813 4.512 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.963 5.083 7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.124 7.961 8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.560 7.021 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.445 7.711 9.502 1.00 0.00 H new ATOM 996 N HIS A 68 -5.361 5.941 6.684 1.00 0.00 N ATOM 997 CA HIS A 68 -5.027 6.176 5.283 1.00 0.00 C ATOM 998 C HIS A 68 -4.141 7.411 5.174 1.00 0.00 C ATOM 999 O HIS A 68 -4.606 8.534 5.363 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.298 6.364 4.451 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.305 7.269 5.090 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -8.015 6.926 6.221 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -7.719 8.514 4.752 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -8.824 7.918 6.550 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -8.662 8.893 5.675 1.00 0.00 N ATOM 0 H HIS A 68 -5.827 6.726 7.139 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.491 5.309 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.027 6.767 3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.756 5.390 4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.372 9.099 3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.502 7.929 7.391 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.158 9.784 5.683 1.00 0.00 H new ATOM 1014 N LEU A 69 -2.855 7.200 4.909 1.00 0.00 N ATOM 1015 CA LEU A 69 -1.913 8.310 4.825 1.00 0.00 C ATOM 1016 C LEU A 69 -1.226 8.407 3.470 1.00 0.00 C ATOM 1017 O LEU A 69 -1.220 7.465 2.679 1.00 0.00 O ATOM 1018 CB LEU A 69 -0.853 8.176 5.917 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.356 9.496 6.506 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.069 9.330 7.993 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.884 9.986 5.760 1.00 0.00 C ATOM 0 H LEU A 69 -2.445 6.280 4.750 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.493 9.223 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.260 7.567 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.000 7.635 5.509 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.135 10.249 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.285 10.276 8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.981 9.029 8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.695 8.566 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.222 10.927 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.676 9.242 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.639 10.139 4.709 1.00 0.00 H new ATOM 1033 N LEU A 70 -0.641 9.571 3.228 1.00 0.00 N ATOM 1034 CA LEU A 70 0.074 9.841 1.997 1.00 0.00 C ATOM 1035 C LEU A 70 1.575 9.802 2.225 1.00 0.00 C ATOM 1036 O LEU A 70 2.088 10.473 3.121 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.282 11.232 1.483 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.471 11.309 0.539 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -1.489 12.666 -0.137 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -1.412 10.205 -0.505 1.00 0.00 C ATOM 0 H LEU A 70 -0.651 10.353 3.883 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.211 9.077 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.482 11.874 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.589 11.643 0.973 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.385 11.175 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.341 12.724 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.572 13.448 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.567 12.804 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.274 10.284 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.497 10.304 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.423 9.234 -0.009 1.00 0.00 H new ATOM 1052 N LEU A 71 2.287 9.056 1.390 1.00 0.00 N ATOM 1053 CA LEU A 71 3.748 9.001 1.503 1.00 0.00 C ATOM 1054 C LEU A 71 4.315 10.415 1.590 1.00 0.00 C ATOM 1055 O LEU A 71 5.386 10.640 2.154 1.00 0.00 O ATOM 1056 CB LEU A 71 4.371 8.295 0.299 1.00 0.00 C ATOM 1057 CG LEU A 71 3.694 7.000 -0.114 1.00 0.00 C ATOM 1058 CD1 LEU A 71 2.842 7.221 -1.347 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.726 5.907 -0.350 1.00 0.00 C ATOM 0 H LEU A 71 1.892 8.489 0.640 1.00 0.00 H new ATOM 0 HA LEU A 71 3.991 8.440 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.359 8.979 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.417 8.084 0.523 1.00 0.00 H new ATOM 0 HG LEU A 71 3.041 6.674 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.363 6.284 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.078 7.968 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.471 7.570 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.221 4.987 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.409 6.216 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.289 5.734 0.567 1.00 0.00 H new ATOM 1071 N HIS A 72 3.575 11.366 1.021 1.00 0.00 N ATOM 1072 CA HIS A 72 3.972 12.767 1.020 1.00 0.00 C ATOM 1073 C HIS A 72 3.401 13.496 2.225 1.00 0.00 C ATOM 1074 O HIS A 72 3.094 14.686 2.161 1.00 0.00 O ATOM 1075 CB HIS A 72 3.484 13.441 -0.256 1.00 0.00 C ATOM 1076 CG HIS A 72 4.342 14.585 -0.699 1.00 0.00 C ATOM 1077 ND1 HIS A 72 4.344 15.068 -1.990 1.00 0.00 N ATOM 1078 CD2 HIS A 72 5.228 15.346 -0.014 1.00 0.00 C ATOM 1079 CE1 HIS A 72 5.195 16.075 -2.081 1.00 0.00 C ATOM 1080 NE2 HIS A 72 5.743 16.263 -0.895 1.00 0.00 N ATOM 0 H HIS A 72 2.688 11.185 0.551 1.00 0.00 H new ATOM 0 HA HIS A 72 5.060 12.812 1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.442 12.700 -1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.467 13.800 -0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.482 15.249 1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.406 16.646 -2.973 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.437 16.975 -0.670 1.00 0.00 H new ATOM 1089 N SER A 73 3.259 12.771 3.319 1.00 0.00 N ATOM 1090 CA SER A 73 2.722 13.338 4.547 1.00 0.00 C ATOM 1091 C SER A 73 3.327 12.648 5.763 1.00 0.00 C ATOM 1092 O SER A 73 3.728 11.487 5.692 1.00 0.00 O ATOM 1093 CB SER A 73 1.199 13.205 4.573 1.00 0.00 C ATOM 1094 OG SER A 73 0.575 14.397 4.125 1.00 0.00 O ATOM 0 H SER A 73 3.509 11.784 3.384 1.00 0.00 H new ATOM 0 HA SER A 73 2.984 14.396 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.893 12.371 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.868 12.976 5.586 1.00 0.00 H new ATOM 0 HG SER A 73 1.136 14.824 3.445 1.00 0.00 H new ATOM 1100 N ASP A 74 3.388 13.365 6.879 1.00 0.00 N ATOM 1101 CA ASP A 74 3.944 12.808 8.107 1.00 0.00 C ATOM 1102 C ASP A 74 3.180 11.557 8.516 1.00 0.00 C ATOM 1103 O ASP A 74 2.077 11.638 9.056 1.00 0.00 O ATOM 1104 CB ASP A 74 3.898 13.839 9.234 1.00 0.00 C ATOM 1105 CG ASP A 74 2.555 14.536 9.329 1.00 0.00 C ATOM 1106 OD1 ASP A 74 2.354 15.536 8.609 1.00 0.00 O ATOM 1107 OD2 ASP A 74 1.705 14.081 10.123 1.00 0.00 O ATOM 0 H ASP A 74 3.061 14.328 6.959 1.00 0.00 H new ATOM 0 HA ASP A 74 4.984 12.541 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.116 13.347 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.679 14.582 9.074 1.00 0.00 H new ATOM 1112 N ARG A 75 3.767 10.399 8.240 1.00 0.00 N ATOM 1113 CA ARG A 75 3.137 9.132 8.562 1.00 0.00 C ATOM 1114 C ARG A 75 2.853 9.002 10.052 1.00 0.00 C ATOM 1115 O ARG A 75 3.440 9.704 10.874 1.00 0.00 O ATOM 1116 CB ARG A 75 4.005 7.969 8.089 1.00 0.00 C ATOM 1117 CG ARG A 75 3.263 7.030 7.160 1.00 0.00 C ATOM 1118 CD ARG A 75 4.085 6.687 5.934 1.00 0.00 C ATOM 1119 NE ARG A 75 4.414 7.877 5.160 1.00 0.00 N ATOM 1120 CZ ARG A 75 5.601 8.485 5.189 1.00 0.00 C ATOM 1121 NH1 ARG A 75 6.582 8.018 5.952 1.00 0.00 N ATOM 1122 NH2 ARG A 75 5.804 9.571 4.456 1.00 0.00 N ATOM 0 H ARG A 75 4.680 10.315 7.793 1.00 0.00 H new ATOM 0 HA ARG A 75 2.181 9.102 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.884 8.361 7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.362 7.411 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.009 6.115 7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.324 7.490 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.003 6.185 6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.532 5.986 5.308 1.00 0.00 H new ATOM 0 HE ARG A 75 3.691 8.270 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.432 7.187 6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.486 8.491 5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.054 9.940 3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.711 10.038 4.476 1.00 0.00 H new ATOM 1136 N ASP A 76 1.948 8.088 10.386 1.00 0.00 N ATOM 1137 CA ASP A 76 1.580 7.848 11.776 1.00 0.00 C ATOM 1138 C ASP A 76 2.332 6.635 12.321 1.00 0.00 C ATOM 1139 O ASP A 76 2.339 5.574 11.698 1.00 0.00 O ATOM 1140 CB ASP A 76 0.071 7.627 11.899 1.00 0.00 C ATOM 1141 CG ASP A 76 -0.697 8.930 12.009 1.00 0.00 C ATOM 1142 OD1 ASP A 76 -0.860 9.613 10.976 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -1.134 9.269 13.130 1.00 0.00 O ATOM 0 H ASP A 76 1.456 7.501 9.712 1.00 0.00 H new ATOM 0 HA ASP A 76 1.854 8.726 12.362 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.284 7.071 11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.133 7.013 12.776 1.00 0.00 H new ATOM 1148 N PRO A 77 2.992 6.776 13.484 1.00 0.00 N ATOM 1149 CA PRO A 77 3.756 5.685 14.083 1.00 0.00 C ATOM 1150 C PRO A 77 2.883 4.684 14.835 1.00 0.00 C ATOM 1151 O PRO A 77 2.347 4.987 15.901 1.00 0.00 O ATOM 1152 CB PRO A 77 4.683 6.413 15.053 1.00 0.00 C ATOM 1153 CG PRO A 77 3.910 7.616 15.475 1.00 0.00 C ATOM 1154 CD PRO A 77 3.059 8.009 14.294 1.00 0.00 C ATOM 0 HA PRO A 77 4.269 5.088 13.329 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.937 5.785 15.907 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.621 6.692 14.572 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.290 7.395 16.344 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.579 8.428 15.759 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.068 8.337 14.606 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.505 8.831 13.735 1.00 0.00 H new ATOM 1162 N ILE A 78 2.759 3.486 14.275 1.00 0.00 N ATOM 1163 CA ILE A 78 1.971 2.423 14.892 1.00 0.00 C ATOM 1164 C ILE A 78 2.735 1.101 14.850 1.00 0.00 C ATOM 1165 O ILE A 78 3.000 0.561 13.779 1.00 0.00 O ATOM 1166 CB ILE A 78 0.605 2.249 14.198 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -0.015 3.613 13.888 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -0.329 1.426 15.072 1.00 0.00 C ATOM 1169 CD1 ILE A 78 0.186 4.058 12.457 1.00 0.00 C ATOM 0 H ILE A 78 3.196 3.225 13.391 1.00 0.00 H new ATOM 0 HA ILE A 78 1.794 2.711 15.928 1.00 0.00 H new ATOM 0 HB ILE A 78 0.758 1.719 13.258 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.083 3.574 14.101 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.416 4.359 14.556 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.290 1.311 14.570 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.109 0.443 15.248 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.476 1.933 16.025 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.280 5.033 12.310 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.253 4.130 12.245 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.270 3.333 11.783 1.00 0.00 H new ATOM 1181 N ARG A 79 3.110 0.599 16.022 1.00 0.00 N ATOM 1182 CA ARG A 79 3.873 -0.644 16.116 1.00 0.00 C ATOM 1183 C ARG A 79 2.974 -1.875 16.201 1.00 0.00 C ATOM 1184 O ARG A 79 3.402 -2.985 15.886 1.00 0.00 O ATOM 1185 CB ARG A 79 4.784 -0.600 17.340 1.00 0.00 C ATOM 1186 CG ARG A 79 4.035 -0.399 18.648 1.00 0.00 C ATOM 1187 CD ARG A 79 4.007 1.065 19.058 1.00 0.00 C ATOM 1188 NE ARG A 79 2.688 1.474 19.539 1.00 0.00 N ATOM 1189 CZ ARG A 79 2.347 2.735 19.789 1.00 0.00 C ATOM 1190 NH1 ARG A 79 3.224 3.715 19.607 1.00 0.00 N ATOM 1191 NH2 ARG A 79 1.127 3.019 20.223 1.00 0.00 N ATOM 0 H ARG A 79 2.899 1.033 16.921 1.00 0.00 H new ATOM 0 HA ARG A 79 4.464 -0.728 15.204 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.351 -1.529 17.394 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.506 0.207 17.217 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.015 -0.768 18.544 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.508 -0.988 19.433 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.747 1.237 19.839 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.291 1.685 18.208 1.00 0.00 H new ATOM 0 HE ARG A 79 1.987 0.749 19.692 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.164 3.503 19.274 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.957 4.680 19.800 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.449 2.270 20.365 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.866 3.986 20.415 1.00 0.00 H new ATOM 1205 N ASP A 80 1.743 -1.682 16.645 1.00 0.00 N ATOM 1206 CA ASP A 80 0.804 -2.791 16.789 1.00 0.00 C ATOM 1207 C ASP A 80 -0.236 -2.800 15.673 1.00 0.00 C ATOM 1208 O ASP A 80 -1.370 -3.229 15.881 1.00 0.00 O ATOM 1209 CB ASP A 80 0.105 -2.717 18.147 1.00 0.00 C ATOM 1210 CG ASP A 80 -0.499 -4.046 18.560 1.00 0.00 C ATOM 1211 OD1 ASP A 80 0.155 -5.088 18.343 1.00 0.00 O ATOM 1212 OD2 ASP A 80 -1.625 -4.044 19.100 1.00 0.00 O ATOM 0 H ASP A 80 1.368 -0.772 16.912 1.00 0.00 H new ATOM 0 HA ASP A 80 1.376 -3.716 16.722 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.821 -2.395 18.904 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.679 -1.961 18.108 1.00 0.00 H new ATOM 1217 N VAL A 81 0.146 -2.324 14.493 1.00 0.00 N ATOM 1218 CA VAL A 81 -0.778 -2.285 13.367 1.00 0.00 C ATOM 1219 C VAL A 81 -0.066 -2.512 12.029 1.00 0.00 C ATOM 1220 O VAL A 81 1.006 -1.958 11.789 1.00 0.00 O ATOM 1221 CB VAL A 81 -1.519 -0.936 13.316 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -2.404 -0.845 12.082 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -2.337 -0.730 14.582 1.00 0.00 C ATOM 0 H VAL A 81 1.079 -1.963 14.293 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.491 -3.095 13.521 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.775 -0.142 13.253 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.915 0.118 12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.790 -0.940 11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.141 -1.647 12.103 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.854 0.228 14.529 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.069 -1.532 14.677 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.675 -0.738 15.448 1.00 0.00 H new ATOM 1233 N PRO A 82 -0.670 -3.318 11.128 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.102 -3.594 9.806 1.00 0.00 C ATOM 1235 C PRO A 82 -0.255 -2.393 8.879 1.00 0.00 C ATOM 1236 O PRO A 82 -0.969 -1.446 9.206 1.00 0.00 O ATOM 1237 CB PRO A 82 -0.930 -4.781 9.282 1.00 0.00 C ATOM 1238 CG PRO A 82 -1.816 -5.198 10.412 1.00 0.00 C ATOM 1239 CD PRO A 82 -1.952 -4.004 11.310 1.00 0.00 C ATOM 0 HA PRO A 82 0.966 -3.807 9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.519 -4.492 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.283 -5.601 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.790 -5.519 10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.386 -6.042 10.951 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.793 -3.374 11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.112 -4.294 12.348 1.00 0.00 H new ATOM 1247 N ALA A 83 0.416 -2.420 7.729 1.00 0.00 N ATOM 1248 CA ALA A 83 0.327 -1.303 6.793 1.00 0.00 C ATOM 1249 C ALA A 83 0.316 -1.751 5.334 1.00 0.00 C ATOM 1250 O ALA A 83 0.752 -2.851 4.995 1.00 0.00 O ATOM 1251 CB ALA A 83 1.470 -0.333 7.029 1.00 0.00 C ATOM 0 H ALA A 83 1.016 -3.188 7.427 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.626 -0.808 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.394 0.496 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.418 0.050 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.420 -0.847 6.883 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.184 -0.861 4.480 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.269 -1.099 3.043 1.00 0.00 C ATOM 1259 C VAL A 84 0.239 0.122 2.285 1.00 0.00 C ATOM 1260 O VAL A 84 0.045 1.251 2.728 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.722 -1.386 2.613 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.809 -1.689 1.123 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.301 -2.522 3.436 1.00 0.00 C ATOM 0 H VAL A 84 -0.543 0.049 4.768 1.00 0.00 H new ATOM 0 HA VAL A 84 0.346 -1.968 2.810 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.314 -0.490 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.846 -1.887 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.443 -0.833 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.201 -2.564 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.327 -2.713 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.702 -3.421 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.290 -2.249 4.491 1.00 0.00 H new ATOM 1273 N TYR A 85 0.893 -0.097 1.150 1.00 0.00 N ATOM 1274 CA TYR A 85 1.418 1.012 0.364 1.00 0.00 C ATOM 1275 C TYR A 85 1.144 0.829 -1.128 1.00 0.00 C ATOM 1276 O TYR A 85 1.938 0.216 -1.843 1.00 0.00 O ATOM 1277 CB TYR A 85 2.919 1.162 0.602 1.00 0.00 C ATOM 1278 CG TYR A 85 3.264 1.779 1.938 1.00 0.00 C ATOM 1279 CD1 TYR A 85 3.124 1.056 3.117 1.00 0.00 C ATOM 1280 CD2 TYR A 85 3.730 3.085 2.022 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.436 1.618 4.340 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.045 3.654 3.242 1.00 0.00 C ATOM 1283 CZ TYR A 85 3.897 2.916 4.398 1.00 0.00 C ATOM 1284 OH TYR A 85 4.210 3.477 5.617 1.00 0.00 O ATOM 0 H TYR A 85 1.071 -1.021 0.757 1.00 0.00 H new ATOM 0 HA TYR A 85 0.905 1.917 0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.389 0.181 0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.344 1.776 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.765 0.038 3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.848 3.666 1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.319 1.043 5.247 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.405 4.671 3.290 1.00 0.00 H new ATOM 0 HH TYR A 85 4.513 2.776 6.231 1.00 0.00 H new ATOM 1294 N PHE A 86 0.030 1.387 -1.594 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.332 1.310 -3.007 1.00 0.00 C ATOM 1296 C PHE A 86 0.135 2.576 -3.716 1.00 0.00 C ATOM 1297 O PHE A 86 -0.603 3.556 -3.810 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.848 1.115 -3.166 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.401 1.602 -4.478 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.711 1.389 -5.658 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.613 2.266 -4.526 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -2.221 1.830 -6.861 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -4.130 2.708 -5.726 1.00 0.00 C ATOM 1304 CZ PHE A 86 -3.432 2.489 -6.895 1.00 0.00 C ATOM 0 H PHE A 86 -0.637 1.897 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 86 0.160 0.450 -3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.079 0.055 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.357 1.636 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.763 0.872 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.162 2.441 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.673 1.659 -7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.078 3.224 -5.750 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.833 2.833 -7.837 1.00 0.00 H new ATOM 1314 N VAL A 87 1.381 2.560 -4.185 1.00 0.00 N ATOM 1315 CA VAL A 87 1.956 3.722 -4.850 1.00 0.00 C ATOM 1316 C VAL A 87 2.808 3.332 -6.056 1.00 0.00 C ATOM 1317 O VAL A 87 3.007 2.155 -6.335 1.00 0.00 O ATOM 1318 CB VAL A 87 2.813 4.547 -3.868 1.00 0.00 C ATOM 1319 CG1 VAL A 87 2.119 4.672 -2.522 1.00 0.00 C ATOM 1320 CG2 VAL A 87 4.189 3.931 -3.690 1.00 0.00 C ATOM 0 H VAL A 87 2.008 1.758 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 87 1.119 4.325 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 87 2.936 5.543 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.741 5.258 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.158 5.169 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.960 3.679 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.770 4.534 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.087 2.919 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.699 3.896 -4.652 1.00 0.00 H new ATOM 1330 N MET A 88 3.308 4.335 -6.768 1.00 0.00 N ATOM 1331 CA MET A 88 4.141 4.107 -7.944 1.00 0.00 C ATOM 1332 C MET A 88 5.588 3.847 -7.538 1.00 0.00 C ATOM 1333 O MET A 88 6.053 4.367 -6.528 1.00 0.00 O ATOM 1334 CB MET A 88 4.072 5.323 -8.869 1.00 0.00 C ATOM 1335 CG MET A 88 4.555 5.048 -10.283 1.00 0.00 C ATOM 1336 SD MET A 88 3.979 6.281 -11.461 1.00 0.00 S ATOM 1337 CE MET A 88 2.211 6.121 -11.249 1.00 0.00 C ATOM 0 H MET A 88 3.150 5.319 -6.550 1.00 0.00 H new ATOM 0 HA MET A 88 3.767 3.229 -8.470 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.042 5.678 -8.910 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.670 6.127 -8.441 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.645 5.022 -10.293 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.210 4.062 -10.596 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.699 6.625 -12.069 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.939 5.065 -11.246 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.915 6.574 -10.303 1.00 0.00 H new ATOM 1347 N PRO A 89 6.329 3.040 -8.319 1.00 0.00 N ATOM 1348 CA PRO A 89 7.722 2.735 -8.024 1.00 0.00 C ATOM 1349 C PRO A 89 8.665 3.790 -8.584 1.00 0.00 C ATOM 1350 O PRO A 89 9.690 3.467 -9.183 1.00 0.00 O ATOM 1351 CB PRO A 89 7.940 1.396 -8.719 1.00 0.00 C ATOM 1352 CG PRO A 89 6.972 1.375 -9.859 1.00 0.00 C ATOM 1353 CD PRO A 89 5.875 2.368 -9.549 1.00 0.00 C ATOM 0 HA PRO A 89 7.924 2.710 -6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.966 1.301 -9.074 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.760 0.566 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.473 1.637 -10.791 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.557 0.376 -9.990 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.740 3.079 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.917 1.869 -9.399 1.00 0.00 H new ATOM 1361 N THR A 90 8.307 5.053 -8.388 1.00 0.00 N ATOM 1362 CA THR A 90 9.112 6.156 -8.871 1.00 0.00 C ATOM 1363 C THR A 90 10.286 6.416 -7.937 1.00 0.00 C ATOM 1364 O THR A 90 10.228 6.093 -6.750 1.00 0.00 O ATOM 1365 CB THR A 90 8.241 7.403 -8.999 1.00 0.00 C ATOM 1366 OG1 THR A 90 7.720 7.783 -7.739 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.071 7.217 -9.943 1.00 0.00 C ATOM 0 H THR A 90 7.460 5.334 -7.895 1.00 0.00 H new ATOM 0 HA THR A 90 9.515 5.899 -9.851 1.00 0.00 H new ATOM 0 HB THR A 90 8.896 8.175 -9.402 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.166 8.585 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.491 8.139 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.442 6.970 -10.938 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.437 6.408 -9.581 1.00 0.00 H new ATOM 1375 N GLU A 91 11.355 6.994 -8.481 1.00 0.00 N ATOM 1376 CA GLU A 91 12.557 7.293 -7.699 1.00 0.00 C ATOM 1377 C GLU A 91 12.197 7.877 -6.336 1.00 0.00 C ATOM 1378 O GLU A 91 12.766 7.493 -5.314 1.00 0.00 O ATOM 1379 CB GLU A 91 13.462 8.272 -8.455 1.00 0.00 C ATOM 1380 CG GLU A 91 13.512 8.030 -9.954 1.00 0.00 C ATOM 1381 CD GLU A 91 14.894 8.251 -10.536 1.00 0.00 C ATOM 1382 OE1 GLU A 91 15.792 7.428 -10.262 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.079 9.248 -11.265 1.00 0.00 O ATOM 0 H GLU A 91 11.415 7.266 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 91 13.091 6.356 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.114 9.289 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.472 8.203 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.193 7.009 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.803 8.694 -10.449 1.00 0.00 H new ATOM 1390 N GLU A 92 11.250 8.806 -6.331 1.00 0.00 N ATOM 1391 CA GLU A 92 10.815 9.445 -5.095 1.00 0.00 C ATOM 1392 C GLU A 92 10.077 8.454 -4.196 1.00 0.00 C ATOM 1393 O GLU A 92 10.297 8.423 -2.985 1.00 0.00 O ATOM 1394 CB GLU A 92 9.921 10.650 -5.399 1.00 0.00 C ATOM 1395 CG GLU A 92 8.765 10.335 -6.335 1.00 0.00 C ATOM 1396 CD GLU A 92 8.616 11.359 -7.442 1.00 0.00 C ATOM 1397 OE1 GLU A 92 8.685 12.570 -7.144 1.00 0.00 O ATOM 1398 OE2 GLU A 92 8.431 10.951 -8.608 1.00 0.00 O ATOM 0 H GLU A 92 10.768 9.134 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 92 11.703 9.791 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.522 11.040 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.529 11.440 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.917 9.349 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.840 10.289 -5.761 1.00 0.00 H new ATOM 1405 N ASN A 93 9.206 7.643 -4.791 1.00 0.00 N ATOM 1406 CA ASN A 93 8.452 6.652 -4.028 1.00 0.00 C ATOM 1407 C ASN A 93 9.395 5.652 -3.379 1.00 0.00 C ATOM 1408 O ASN A 93 9.289 5.358 -2.189 1.00 0.00 O ATOM 1409 CB ASN A 93 7.462 5.913 -4.924 1.00 0.00 C ATOM 1410 CG ASN A 93 6.098 6.574 -4.942 1.00 0.00 C ATOM 1411 OD1 ASN A 93 5.492 6.801 -3.896 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.606 6.885 -6.136 1.00 0.00 N ATOM 0 H ASN A 93 9.006 7.652 -5.791 1.00 0.00 H new ATOM 0 HA ASN A 93 7.897 7.179 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.856 5.870 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.360 4.884 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.691 7.330 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 93 6.143 6.679 -6.978 1.00 0.00 H new ATOM 1419 N ILE A 94 10.320 5.134 -4.177 1.00 0.00 N ATOM 1420 CA ILE A 94 11.292 4.165 -3.695 1.00 0.00 C ATOM 1421 C ILE A 94 12.018 4.696 -2.465 1.00 0.00 C ATOM 1422 O ILE A 94 12.386 3.936 -1.568 1.00 0.00 O ATOM 1423 CB ILE A 94 12.325 3.810 -4.788 1.00 0.00 C ATOM 1424 CG1 ILE A 94 11.646 3.505 -6.135 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.182 2.638 -4.345 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.201 3.052 -6.036 1.00 0.00 C ATOM 0 H ILE A 94 10.416 5.371 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 94 10.743 3.262 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 94 12.965 4.680 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.689 4.399 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.219 2.732 -6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.905 2.400 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.711 2.900 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.547 1.771 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.810 2.862 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.146 2.138 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.608 3.831 -5.557 1.00 0.00 H new ATOM 1438 N ASP A 95 12.209 6.012 -2.423 1.00 0.00 N ATOM 1439 CA ASP A 95 12.876 6.649 -1.296 1.00 0.00 C ATOM 1440 C ASP A 95 11.955 6.692 -0.082 1.00 0.00 C ATOM 1441 O ASP A 95 12.415 6.671 1.059 1.00 0.00 O ATOM 1442 CB ASP A 95 13.320 8.064 -1.670 1.00 0.00 C ATOM 1443 CG ASP A 95 14.683 8.411 -1.103 1.00 0.00 C ATOM 1444 OD1 ASP A 95 14.805 8.501 0.137 1.00 0.00 O ATOM 1445 OD2 ASP A 95 15.629 8.590 -1.898 1.00 0.00 O ATOM 0 H ASP A 95 11.911 6.655 -3.156 1.00 0.00 H new ATOM 0 HA ASP A 95 13.757 6.060 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.346 8.159 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.584 8.781 -1.305 1.00 0.00 H new ATOM 1450 N ARG A 96 10.648 6.747 -0.334 1.00 0.00 N ATOM 1451 CA ARG A 96 9.667 6.786 0.743 1.00 0.00 C ATOM 1452 C ARG A 96 9.485 5.401 1.359 1.00 0.00 C ATOM 1453 O ARG A 96 9.105 5.276 2.523 1.00 0.00 O ATOM 1454 CB ARG A 96 8.328 7.328 0.235 1.00 0.00 C ATOM 1455 CG ARG A 96 8.030 8.739 0.724 1.00 0.00 C ATOM 1456 CD ARG A 96 8.138 9.761 -0.396 1.00 0.00 C ATOM 1457 NE ARG A 96 6.847 10.027 -1.026 1.00 0.00 N ATOM 1458 CZ ARG A 96 6.705 10.580 -2.228 1.00 0.00 C ATOM 1459 NH1 ARG A 96 7.772 10.926 -2.936 1.00 0.00 N ATOM 1460 NH2 ARG A 96 5.493 10.789 -2.723 1.00 0.00 N ATOM 0 H ARG A 96 10.247 6.765 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 96 10.038 7.458 1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.330 7.321 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.528 6.662 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.027 8.772 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.724 9.001 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.545 10.691 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.840 9.401 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 96 6.003 9.773 -0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.707 10.768 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.658 11.350 -3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.669 10.526 -2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.385 11.213 -3.644 1.00 0.00 H new ATOM 1474 N LEU A 97 9.777 4.363 0.578 1.00 0.00 N ATOM 1475 CA LEU A 97 9.662 2.994 1.061 1.00 0.00 C ATOM 1476 C LEU A 97 10.762 2.713 2.073 1.00 0.00 C ATOM 1477 O LEU A 97 10.527 2.100 3.113 1.00 0.00 O ATOM 1478 CB LEU A 97 9.755 2.002 -0.102 1.00 0.00 C ATOM 1479 CG LEU A 97 8.438 1.716 -0.828 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.337 1.382 0.166 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.037 2.901 -1.692 1.00 0.00 C ATOM 0 H LEU A 97 10.094 4.446 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 97 8.691 2.873 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.474 2.384 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.153 1.061 0.277 1.00 0.00 H new ATOM 0 HG LEU A 97 8.586 0.852 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.410 1.182 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.621 0.500 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.190 2.224 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.099 2.680 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.910 3.783 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.814 3.091 -2.432 1.00 0.00 H new ATOM 1493 N CYS A 98 11.964 3.184 1.760 1.00 0.00 N ATOM 1494 CA CYS A 98 13.110 3.004 2.639 1.00 0.00 C ATOM 1495 C CYS A 98 12.992 3.900 3.866 1.00 0.00 C ATOM 1496 O CYS A 98 13.588 3.624 4.908 1.00 0.00 O ATOM 1497 CB CYS A 98 14.402 3.310 1.881 1.00 0.00 C ATOM 1498 SG CYS A 98 15.897 2.685 2.685 1.00 0.00 S ATOM 0 H CYS A 98 12.169 3.695 0.901 1.00 0.00 H new ATOM 0 HA CYS A 98 13.132 1.967 2.974 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.334 2.881 0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.492 4.389 1.759 1.00 0.00 H new ATOM 0 HG CYS A 98 16.936 2.992 1.967 1.00 0.00 H new ATOM 1504 N GLN A 99 12.212 4.969 3.739 1.00 0.00 N ATOM 1505 CA GLN A 99 12.010 5.899 4.839 1.00 0.00 C ATOM 1506 C GLN A 99 10.974 5.358 5.820 1.00 0.00 C ATOM 1507 O GLN A 99 11.176 5.398 7.032 1.00 0.00 O ATOM 1508 CB GLN A 99 11.566 7.264 4.308 1.00 0.00 C ATOM 1509 CG GLN A 99 12.692 8.284 4.238 1.00 0.00 C ATOM 1510 CD GLN A 99 13.211 8.673 5.609 1.00 0.00 C ATOM 1511 OE1 GLN A 99 12.607 9.488 6.306 1.00 0.00 O ATOM 1512 NE2 GLN A 99 14.338 8.091 6.000 1.00 0.00 N ATOM 0 H GLN A 99 11.710 5.211 2.884 1.00 0.00 H new ATOM 0 HA GLN A 99 12.958 6.015 5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.140 7.137 3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.773 7.653 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.511 7.876 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.338 9.176 3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.805 7.421 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.737 8.314 6.912 1.00 0.00 H new ATOM 1521 N ASP A 100 9.863 4.852 5.289 1.00 0.00 N ATOM 1522 CA ASP A 100 8.800 4.310 6.125 1.00 0.00 C ATOM 1523 C ASP A 100 9.165 2.926 6.655 1.00 0.00 C ATOM 1524 O ASP A 100 8.728 2.532 7.737 1.00 0.00 O ATOM 1525 CB ASP A 100 7.489 4.249 5.338 1.00 0.00 C ATOM 1526 CG ASP A 100 7.531 3.245 4.200 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.813 2.057 4.464 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.277 3.648 3.046 1.00 0.00 O ATOM 0 H ASP A 100 9.678 4.807 4.287 1.00 0.00 H new ATOM 0 HA ASP A 100 8.671 4.973 6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.676 3.989 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.266 5.237 4.936 1.00 0.00 H new ATOM 1533 N LEU A 101 9.964 2.190 5.890 1.00 0.00 N ATOM 1534 CA LEU A 101 10.378 0.850 6.288 1.00 0.00 C ATOM 1535 C LEU A 101 11.405 0.904 7.415 1.00 0.00 C ATOM 1536 O LEU A 101 11.442 0.023 8.274 1.00 0.00 O ATOM 1537 CB LEU A 101 10.958 0.091 5.093 1.00 0.00 C ATOM 1538 CG LEU A 101 9.922 -0.525 4.150 1.00 0.00 C ATOM 1539 CD1 LEU A 101 10.602 -1.113 2.922 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.112 -1.591 4.873 1.00 0.00 C ATOM 0 H LEU A 101 10.337 2.498 4.992 1.00 0.00 H new ATOM 0 HA LEU A 101 9.495 0.323 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.588 0.772 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.605 -0.703 5.466 1.00 0.00 H new ATOM 0 HG LEU A 101 9.242 0.262 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.850 -1.547 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.139 -0.327 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.304 -1.888 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.380 -2.019 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.779 -2.377 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.596 -1.142 5.722 1.00 0.00 H new ATOM 1552 N ARG A 102 12.236 1.940 7.408 1.00 0.00 N ATOM 1553 CA ARG A 102 13.258 2.100 8.433 1.00 0.00 C ATOM 1554 C ARG A 102 12.655 2.676 9.710 1.00 0.00 C ATOM 1555 O ARG A 102 13.101 2.368 10.815 1.00 0.00 O ATOM 1556 CB ARG A 102 14.381 3.009 7.928 1.00 0.00 C ATOM 1557 CG ARG A 102 15.363 2.308 7.002 1.00 0.00 C ATOM 1558 CD ARG A 102 16.744 2.199 7.628 1.00 0.00 C ATOM 1559 NE ARG A 102 17.540 3.406 7.413 1.00 0.00 N ATOM 1560 CZ ARG A 102 18.864 3.453 7.539 1.00 0.00 C ATOM 1561 NH1 ARG A 102 19.545 2.365 7.880 1.00 0.00 N ATOM 1562 NH2 ARG A 102 19.510 4.591 7.324 1.00 0.00 N ATOM 0 H ARG A 102 12.222 2.679 6.705 1.00 0.00 H new ATOM 0 HA ARG A 102 13.673 1.117 8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.942 3.857 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.924 3.410 8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.991 1.311 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.431 2.855 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 102 16.644 2.017 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 102 17.266 1.340 7.206 1.00 0.00 H new ATOM 0 HE ARG A 102 17.052 4.263 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 102 19.053 1.487 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.560 2.407 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 102 18.992 5.430 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.525 4.627 7.420 1.00 0.00 H new ATOM 1576 N ASN A 103 11.635 3.513 9.547 1.00 0.00 N ATOM 1577 CA ASN A 103 10.963 4.134 10.683 1.00 0.00 C ATOM 1578 C ASN A 103 10.150 3.106 11.465 1.00 0.00 C ATOM 1579 O ASN A 103 9.895 3.281 12.656 1.00 0.00 O ATOM 1580 CB ASN A 103 10.049 5.263 10.207 1.00 0.00 C ATOM 1581 CG ASN A 103 10.816 6.405 9.573 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.970 6.661 9.917 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.177 7.099 8.638 1.00 0.00 N ATOM 0 H ASN A 103 11.255 3.777 8.638 1.00 0.00 H new ATOM 0 HA ASN A 103 11.727 4.546 11.342 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.333 4.867 9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.474 5.641 11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.643 7.879 8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.221 6.852 8.384 1.00 0.00 H new ATOM 1590 N GLN A 104 9.738 2.039 10.785 1.00 0.00 N ATOM 1591 CA GLN A 104 8.946 0.992 11.420 1.00 0.00 C ATOM 1592 C GLN A 104 7.612 1.551 11.899 1.00 0.00 C ATOM 1593 O GLN A 104 7.074 1.120 12.920 1.00 0.00 O ATOM 1594 CB GLN A 104 9.711 0.380 12.595 1.00 0.00 C ATOM 1595 CG GLN A 104 11.051 -0.219 12.203 1.00 0.00 C ATOM 1596 CD GLN A 104 11.854 -0.688 13.401 1.00 0.00 C ATOM 1597 OE1 GLN A 104 11.944 -1.885 13.672 1.00 0.00 O ATOM 1598 NE2 GLN A 104 12.440 0.257 14.128 1.00 0.00 N ATOM 0 H GLN A 104 9.939 1.878 9.798 1.00 0.00 H new ATOM 0 HA GLN A 104 8.755 0.212 10.683 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.873 1.148 13.351 1.00 0.00 H new ATOM 0 HB3 GLN A 104 9.097 -0.395 13.054 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.886 -1.060 11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.629 0.523 11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 104 12.339 1.238 13.867 1.00 0.00 H new ATOM 0 HE22 GLN A 104 12.991 0.002 14.947 1.00 0.00 H new ATOM 1607 N LEU A 105 7.084 2.517 11.154 1.00 0.00 N ATOM 1608 CA LEU A 105 5.812 3.145 11.496 1.00 0.00 C ATOM 1609 C LEU A 105 4.692 2.116 11.563 1.00 0.00 C ATOM 1610 O LEU A 105 3.673 2.340 12.212 1.00 0.00 O ATOM 1611 CB LEU A 105 5.464 4.228 10.472 1.00 0.00 C ATOM 1612 CG LEU A 105 6.513 5.324 10.321 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.396 5.987 8.958 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.370 6.346 11.437 1.00 0.00 C ATOM 0 H LEU A 105 7.519 2.883 10.307 1.00 0.00 H new ATOM 0 HA LEU A 105 5.917 3.602 12.480 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.310 3.755 9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.517 4.687 10.757 1.00 0.00 H new ATOM 0 HG LEU A 105 7.503 4.875 10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.152 6.767 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.547 5.242 8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.405 6.428 8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.125 7.123 11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.377 6.795 11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.505 5.854 12.400 1.00 0.00 H new ATOM 1626 N TYR A 106 4.877 0.991 10.881 1.00 0.00 N ATOM 1627 CA TYR A 106 3.861 -0.053 10.872 1.00 0.00 C ATOM 1628 C TYR A 106 4.486 -1.446 10.927 1.00 0.00 C ATOM 1629 O TYR A 106 5.686 -1.610 10.713 1.00 0.00 O ATOM 1630 CB TYR A 106 2.977 0.098 9.638 1.00 0.00 C ATOM 1631 CG TYR A 106 2.442 1.501 9.479 1.00 0.00 C ATOM 1632 CD1 TYR A 106 3.262 2.521 9.019 1.00 0.00 C ATOM 1633 CD2 TYR A 106 1.129 1.812 9.804 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.792 3.810 8.886 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.649 3.103 9.673 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.486 4.099 9.214 1.00 0.00 C ATOM 1637 OH TYR A 106 1.013 5.387 9.077 1.00 0.00 O ATOM 0 H TYR A 106 5.711 0.780 10.333 1.00 0.00 H new ATOM 0 HA TYR A 106 3.247 0.059 11.766 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.549 -0.172 8.750 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.143 -0.600 9.705 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.287 2.301 8.760 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.472 1.034 10.165 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.446 4.591 8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.375 3.330 9.929 1.00 0.00 H new ATOM 0 HH TYR A 106 0.072 5.421 9.350 1.00 0.00 H new ATOM 1647 N GLU A 107 3.659 -2.445 11.235 1.00 0.00 N ATOM 1648 CA GLU A 107 4.125 -3.824 11.342 1.00 0.00 C ATOM 1649 C GLU A 107 4.413 -4.434 9.972 1.00 0.00 C ATOM 1650 O GLU A 107 5.468 -5.031 9.758 1.00 0.00 O ATOM 1651 CB GLU A 107 3.086 -4.674 12.076 1.00 0.00 C ATOM 1652 CG GLU A 107 2.883 -4.266 13.524 1.00 0.00 C ATOM 1653 CD GLU A 107 2.333 -5.392 14.377 1.00 0.00 C ATOM 1654 OE1 GLU A 107 1.097 -5.572 14.398 1.00 0.00 O ATOM 1655 OE2 GLU A 107 3.138 -6.096 15.023 1.00 0.00 O ATOM 0 H GLU A 107 2.662 -2.323 11.415 1.00 0.00 H new ATOM 0 HA GLU A 107 5.057 -3.812 11.907 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.134 -4.604 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.393 -5.719 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.834 -3.932 13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.201 -3.417 13.566 1.00 0.00 H new ATOM 1662 N SER A 108 3.469 -4.283 9.050 1.00 0.00 N ATOM 1663 CA SER A 108 3.622 -4.824 7.705 1.00 0.00 C ATOM 1664 C SER A 108 3.602 -3.706 6.672 1.00 0.00 C ATOM 1665 O SER A 108 3.363 -2.548 7.007 1.00 0.00 O ATOM 1666 CB SER A 108 2.509 -5.830 7.406 1.00 0.00 C ATOM 1667 OG SER A 108 2.729 -7.051 8.091 1.00 0.00 O ATOM 0 H SER A 108 2.590 -3.791 9.209 1.00 0.00 H new ATOM 0 HA SER A 108 4.584 -5.334 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.547 -5.412 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.460 -6.015 6.333 1.00 0.00 H new ATOM 0 HG SER A 108 2.004 -7.677 7.885 1.00 0.00 H new ATOM 1673 N TYR A 109 3.856 -4.054 5.417 1.00 0.00 N ATOM 1674 CA TYR A 109 3.868 -3.066 4.346 1.00 0.00 C ATOM 1675 C TYR A 109 3.415 -3.667 3.018 1.00 0.00 C ATOM 1676 O TYR A 109 4.238 -3.990 2.162 1.00 0.00 O ATOM 1677 CB TYR A 109 5.270 -2.473 4.187 1.00 0.00 C ATOM 1678 CG TYR A 109 5.836 -1.886 5.461 1.00 0.00 C ATOM 1679 CD1 TYR A 109 6.404 -2.703 6.432 1.00 0.00 C ATOM 1680 CD2 TYR A 109 5.807 -0.516 5.691 1.00 0.00 C ATOM 1681 CE1 TYR A 109 6.926 -2.169 7.595 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.326 0.024 6.851 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.885 -0.806 7.800 1.00 0.00 C ATOM 1684 OH TYR A 109 7.405 -0.270 8.956 1.00 0.00 O ATOM 0 H TYR A 109 4.056 -5.008 5.117 1.00 0.00 H new ATOM 0 HA TYR A 109 3.165 -2.279 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.944 -3.250 3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.241 -1.697 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.438 -3.771 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.371 0.138 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.364 -2.817 8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.294 1.091 7.014 1.00 0.00 H new ATOM 0 HH TYR A 109 6.941 -0.650 9.731 1.00 0.00 H new ATOM 1694 N TYR A 110 2.103 -3.795 2.840 1.00 0.00 N ATOM 1695 CA TYR A 110 1.556 -4.331 1.599 1.00 0.00 C ATOM 1696 C TYR A 110 1.871 -3.372 0.455 1.00 0.00 C ATOM 1697 O TYR A 110 1.116 -2.441 0.187 1.00 0.00 O ATOM 1698 CB TYR A 110 0.045 -4.528 1.730 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.556 -5.413 0.660 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.495 -5.058 -0.682 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.187 -6.605 0.995 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -1.045 -5.865 -1.659 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.739 -7.418 0.025 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.666 -7.044 -1.301 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.215 -7.850 -2.271 1.00 0.00 O ATOM 0 H TYR A 110 1.403 -3.536 3.535 1.00 0.00 H new ATOM 0 HA TYR A 110 2.010 -5.300 1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.171 -4.959 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.442 -3.554 1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.010 -4.136 -0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.247 -6.901 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.989 -5.575 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.225 -8.342 0.303 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.612 -8.642 -1.852 1.00 0.00 H new ATOM 1715 N LEU A 111 3.008 -3.589 -0.196 1.00 0.00 N ATOM 1716 CA LEU A 111 3.444 -2.722 -1.284 1.00 0.00 C ATOM 1717 C LEU A 111 2.768 -3.066 -2.605 1.00 0.00 C ATOM 1718 O LEU A 111 2.404 -4.212 -2.854 1.00 0.00 O ATOM 1719 CB LEU A 111 4.966 -2.798 -1.439 1.00 0.00 C ATOM 1720 CG LEU A 111 5.762 -2.482 -0.171 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.259 -2.500 -0.450 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.347 -1.137 0.394 1.00 0.00 C ATOM 0 H LEU A 111 3.645 -4.358 0.011 1.00 0.00 H new ATOM 0 HA LEU A 111 3.151 -1.705 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.232 -3.800 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.271 -2.106 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 111 5.544 -3.254 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.803 -2.272 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.550 -3.487 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.497 -1.753 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.923 -0.928 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.535 -0.358 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.285 -1.157 0.638 1.00 0.00 H new ATOM 1734 N ASN A 112 2.618 -2.048 -3.445 1.00 0.00 N ATOM 1735 CA ASN A 112 2.007 -2.195 -4.760 1.00 0.00 C ATOM 1736 C ASN A 112 2.468 -1.061 -5.661 1.00 0.00 C ATOM 1737 O ASN A 112 2.650 0.065 -5.202 1.00 0.00 O ATOM 1738 CB ASN A 112 0.481 -2.203 -4.660 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.178 -2.378 -6.015 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.697 -3.448 -6.331 1.00 0.00 O ATOM 1741 ND2 ASN A 112 -0.156 -1.325 -6.825 1.00 0.00 N ATOM 0 H ASN A 112 2.917 -1.096 -3.233 1.00 0.00 H new ATOM 0 HA ASN A 112 2.319 -3.149 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.166 -3.009 -3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.143 -1.269 -4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -0.581 -1.385 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.286 -0.457 -6.521 1.00 0.00 H new ATOM 1748 N PHE A 113 2.681 -1.364 -6.936 1.00 0.00 N ATOM 1749 CA PHE A 113 3.150 -0.355 -7.873 1.00 0.00 C ATOM 1750 C PHE A 113 2.197 -0.164 -9.048 1.00 0.00 C ATOM 1751 O PHE A 113 1.783 -1.122 -9.698 1.00 0.00 O ATOM 1752 CB PHE A 113 4.547 -0.721 -8.360 1.00 0.00 C ATOM 1753 CG PHE A 113 5.587 -0.543 -7.291 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.749 0.685 -6.671 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.387 -1.600 -6.897 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.696 0.858 -5.681 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.336 -1.435 -5.904 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.491 -0.203 -5.296 1.00 0.00 C ATOM 0 H PHE A 113 2.538 -2.290 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 113 3.186 0.599 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.551 -1.757 -8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.803 -0.102 -9.220 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.127 1.517 -6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.270 -2.564 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.815 1.822 -5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 113 7.955 -2.268 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.232 -0.071 -4.522 1.00 0.00 H new ATOM 1768 N ILE A 114 1.860 1.097 -9.303 1.00 0.00 N ATOM 1769 CA ILE A 114 0.954 1.451 -10.404 1.00 0.00 C ATOM 1770 C ILE A 114 1.631 1.265 -11.763 1.00 0.00 C ATOM 1771 O ILE A 114 0.963 1.062 -12.775 1.00 0.00 O ATOM 1772 CB ILE A 114 0.426 2.914 -10.331 1.00 0.00 C ATOM 1773 CG1 ILE A 114 1.018 3.693 -9.150 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -1.094 2.930 -10.269 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.418 3.334 -7.806 1.00 0.00 C ATOM 0 H ILE A 114 2.198 1.895 -8.765 1.00 0.00 H new ATOM 0 HA ILE A 114 0.108 0.773 -10.296 1.00 0.00 H new ATOM 0 HB ILE A 114 0.753 3.416 -11.242 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.093 3.516 -9.114 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.877 4.759 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.445 3.961 -10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.500 2.452 -11.161 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.428 2.389 -9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.892 3.929 -7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.653 3.539 -7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.583 2.275 -7.605 1.00 0.00 H new ATOM 1787 N SER A 115 2.957 1.338 -11.787 1.00 0.00 N ATOM 1788 CA SER A 115 3.704 1.182 -13.030 1.00 0.00 C ATOM 1789 C SER A 115 4.669 0.003 -12.953 1.00 0.00 C ATOM 1790 O SER A 115 4.964 -0.502 -11.871 1.00 0.00 O ATOM 1791 CB SER A 115 4.471 2.467 -13.347 1.00 0.00 C ATOM 1792 OG SER A 115 5.695 2.521 -12.634 1.00 0.00 O ATOM 0 H SER A 115 3.535 1.504 -10.963 1.00 0.00 H new ATOM 0 HA SER A 115 2.990 0.982 -13.829 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.668 2.522 -14.418 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.859 3.332 -13.091 1.00 0.00 H new ATOM 0 HG SER A 115 6.166 3.351 -12.856 1.00 0.00 H new ATOM 1798 N ALA A 116 5.157 -0.428 -14.113 1.00 0.00 N ATOM 1799 CA ALA A 116 6.091 -1.545 -14.184 1.00 0.00 C ATOM 1800 C ALA A 116 7.471 -1.139 -13.679 1.00 0.00 C ATOM 1801 O ALA A 116 8.248 -0.512 -14.398 1.00 0.00 O ATOM 1802 CB ALA A 116 6.182 -2.066 -15.611 1.00 0.00 C ATOM 0 H ALA A 116 4.920 -0.019 -15.017 1.00 0.00 H new ATOM 0 HA ALA A 116 5.717 -2.341 -13.541 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.883 -2.900 -15.650 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.199 -2.403 -15.939 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.530 -1.269 -16.268 1.00 0.00 H new ATOM 1808 N ILE A 117 7.767 -1.498 -12.434 1.00 0.00 N ATOM 1809 CA ILE A 117 9.052 -1.170 -11.828 1.00 0.00 C ATOM 1810 C ILE A 117 10.170 -2.044 -12.388 1.00 0.00 C ATOM 1811 O ILE A 117 9.920 -3.128 -12.917 1.00 0.00 O ATOM 1812 CB ILE A 117 9.006 -1.333 -10.295 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.316 -0.850 -9.665 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.729 -2.782 -9.923 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.300 -0.855 -8.153 1.00 0.00 C ATOM 0 H ILE A 117 7.134 -2.016 -11.825 1.00 0.00 H new ATOM 0 HA ILE A 117 9.258 -0.128 -12.072 1.00 0.00 H new ATOM 0 HB ILE A 117 8.194 -0.719 -9.904 1.00 0.00 H new ATOM 0 HG12 ILE A 117 11.132 -1.483 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.526 0.161 -10.014 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.700 -2.880 -8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.770 -3.088 -10.341 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.519 -3.418 -10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.260 -0.501 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.506 -0.199 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 117 10.122 -1.869 -7.794 1.00 0.00 H new ATOM 1827 N SER A 118 11.405 -1.569 -12.261 1.00 0.00 N ATOM 1828 CA SER A 118 12.564 -2.307 -12.746 1.00 0.00 C ATOM 1829 C SER A 118 13.101 -3.236 -11.662 1.00 0.00 C ATOM 1830 O SER A 118 12.586 -3.263 -10.544 1.00 0.00 O ATOM 1831 CB SER A 118 13.660 -1.339 -13.195 1.00 0.00 C ATOM 1832 OG SER A 118 13.551 -1.050 -14.578 1.00 0.00 O ATOM 0 H SER A 118 11.628 -0.674 -11.825 1.00 0.00 H new ATOM 0 HA SER A 118 12.253 -2.910 -13.599 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.591 -0.415 -12.621 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.639 -1.771 -12.987 1.00 0.00 H new ATOM 0 HG SER A 118 14.262 -0.428 -14.839 1.00 0.00 H new ATOM 1838 N ARG A 119 14.137 -3.997 -11.999 1.00 0.00 N ATOM 1839 CA ARG A 119 14.741 -4.927 -11.052 1.00 0.00 C ATOM 1840 C ARG A 119 15.617 -4.189 -10.043 1.00 0.00 C ATOM 1841 O ARG A 119 15.751 -4.614 -8.895 1.00 0.00 O ATOM 1842 CB ARG A 119 15.571 -5.976 -11.794 1.00 0.00 C ATOM 1843 CG ARG A 119 14.733 -7.066 -12.444 1.00 0.00 C ATOM 1844 CD ARG A 119 15.265 -8.452 -12.114 1.00 0.00 C ATOM 1845 NE ARG A 119 16.635 -8.640 -12.584 1.00 0.00 N ATOM 1846 CZ ARG A 119 17.391 -9.686 -12.264 1.00 0.00 C ATOM 1847 NH1 ARG A 119 16.915 -10.641 -11.474 1.00 0.00 N ATOM 1848 NH2 ARG A 119 18.628 -9.781 -12.734 1.00 0.00 N ATOM 0 H ARG A 119 14.575 -3.988 -12.920 1.00 0.00 H new ATOM 0 HA ARG A 119 13.937 -5.425 -10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 119 16.166 -5.480 -12.561 1.00 0.00 H new ATOM 0 HB3 ARG A 119 16.270 -6.435 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 119 13.700 -6.982 -12.106 1.00 0.00 H new ATOM 0 HG3 ARG A 119 14.727 -6.926 -13.525 1.00 0.00 H new ATOM 0 HD2 ARG A 119 15.227 -8.607 -11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 119 14.620 -9.205 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 119 17.035 -7.927 -13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 119 15.965 -10.575 -11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 119 17.500 -11.441 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 119 19.000 -9.051 -13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 119 19.207 -10.584 -12.488 1.00 0.00 H new ATOM 1862 N SER A 120 16.211 -3.082 -10.479 1.00 0.00 N ATOM 1863 CA SER A 120 17.075 -2.287 -9.613 1.00 0.00 C ATOM 1864 C SER A 120 16.254 -1.494 -8.600 1.00 0.00 C ATOM 1865 O SER A 120 16.519 -1.538 -7.399 1.00 0.00 O ATOM 1866 CB SER A 120 17.932 -1.336 -10.450 1.00 0.00 C ATOM 1867 OG SER A 120 18.333 -1.946 -11.664 1.00 0.00 O ATOM 0 H SER A 120 16.110 -2.716 -11.426 1.00 0.00 H new ATOM 0 HA SER A 120 17.727 -2.969 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.369 -0.428 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 120 18.813 -1.038 -9.881 1.00 0.00 H new ATOM 0 HG SER A 120 18.878 -1.317 -12.182 1.00 0.00 H new ATOM 1873 N LYS A 121 15.257 -0.768 -9.094 1.00 0.00 N ATOM 1874 CA LYS A 121 14.398 0.035 -8.231 1.00 0.00 C ATOM 1875 C LYS A 121 13.763 -0.823 -7.143 1.00 0.00 C ATOM 1876 O LYS A 121 13.663 -0.408 -5.990 1.00 0.00 O ATOM 1877 CB LYS A 121 13.309 0.723 -9.056 1.00 0.00 C ATOM 1878 CG LYS A 121 13.795 1.961 -9.793 1.00 0.00 C ATOM 1879 CD LYS A 121 12.773 3.085 -9.731 1.00 0.00 C ATOM 1880 CE LYS A 121 11.818 3.035 -10.912 1.00 0.00 C ATOM 1881 NZ LYS A 121 12.542 2.936 -12.210 1.00 0.00 N ATOM 0 H LYS A 121 15.024 -0.719 -10.086 1.00 0.00 H new ATOM 0 HA LYS A 121 15.016 0.795 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.910 0.013 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.487 1.002 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.735 2.299 -9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 121 13.998 1.710 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.208 3.014 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.288 4.046 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.151 2.180 -10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.194 3.929 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.006 3.439 -12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.485 3.364 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.642 1.936 -12.477 1.00 0.00 H new ATOM 1895 N LEU A 122 13.338 -2.023 -7.518 1.00 0.00 N ATOM 1896 CA LEU A 122 12.717 -2.939 -6.570 1.00 0.00 C ATOM 1897 C LEU A 122 13.710 -3.377 -5.508 1.00 0.00 C ATOM 1898 O LEU A 122 13.343 -3.583 -4.351 1.00 0.00 O ATOM 1899 CB LEU A 122 12.138 -4.138 -7.298 1.00 0.00 C ATOM 1900 CG LEU A 122 10.700 -3.943 -7.772 1.00 0.00 C ATOM 1901 CD1 LEU A 122 10.158 -5.239 -8.299 1.00 0.00 C ATOM 1902 CD2 LEU A 122 9.815 -3.437 -6.642 1.00 0.00 C ATOM 0 H LEU A 122 13.412 -2.384 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 122 11.904 -2.415 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.766 -4.365 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.178 -5.005 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 122 10.701 -3.197 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.132 -5.094 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.770 -5.576 -9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.178 -5.990 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.796 -3.307 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.818 -4.160 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.196 -2.481 -6.282 1.00 0.00 H new ATOM 1914 N GLU A 123 14.974 -3.496 -5.896 1.00 0.00 N ATOM 1915 CA GLU A 123 16.015 -3.884 -4.958 1.00 0.00 C ATOM 1916 C GLU A 123 16.092 -2.869 -3.826 1.00 0.00 C ATOM 1917 O GLU A 123 16.406 -3.212 -2.687 1.00 0.00 O ATOM 1918 CB GLU A 123 17.366 -3.987 -5.669 1.00 0.00 C ATOM 1919 CG GLU A 123 17.809 -5.419 -5.910 1.00 0.00 C ATOM 1920 CD GLU A 123 19.104 -5.506 -6.693 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.100 -5.145 -7.889 1.00 0.00 O ATOM 1922 OE2 GLU A 123 20.122 -5.936 -6.111 1.00 0.00 O ATOM 0 H GLU A 123 15.300 -3.330 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 123 15.769 -4.862 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.307 -3.466 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 123 18.122 -3.475 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.934 -5.923 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.026 -5.951 -6.450 1.00 0.00 H new ATOM 1929 N ASP A 124 15.790 -1.615 -4.153 1.00 0.00 N ATOM 1930 CA ASP A 124 15.809 -0.544 -3.167 1.00 0.00 C ATOM 1931 C ASP A 124 14.711 -0.746 -2.128 1.00 0.00 C ATOM 1932 O ASP A 124 14.983 -0.769 -0.930 1.00 0.00 O ATOM 1933 CB ASP A 124 15.644 0.817 -3.845 1.00 0.00 C ATOM 1934 CG ASP A 124 16.974 1.501 -4.103 1.00 0.00 C ATOM 1935 OD1 ASP A 124 17.826 0.901 -4.790 1.00 0.00 O ATOM 1936 OD2 ASP A 124 17.160 2.636 -3.617 1.00 0.00 O ATOM 0 H ASP A 124 15.530 -1.318 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 124 16.775 -0.569 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.116 0.687 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.024 1.459 -3.219 1.00 0.00 H new ATOM 1941 N ILE A 125 13.468 -0.900 -2.587 1.00 0.00 N ATOM 1942 CA ILE A 125 12.349 -1.110 -1.673 1.00 0.00 C ATOM 1943 C ILE A 125 12.521 -2.415 -0.903 1.00 0.00 C ATOM 1944 O ILE A 125 12.325 -2.461 0.313 1.00 0.00 O ATOM 1945 CB ILE A 125 10.992 -1.130 -2.406 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.751 0.199 -3.116 1.00 0.00 C ATOM 1947 CG2 ILE A 125 9.864 -1.412 -1.425 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.131 0.173 -4.574 1.00 0.00 C ATOM 0 H ILE A 125 13.214 -0.883 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 125 12.350 -0.268 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 125 11.014 -1.925 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.698 0.465 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.321 0.980 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.913 -1.423 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.026 -2.381 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.843 -0.635 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 125 10.935 1.149 -5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.191 -0.063 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.543 -0.586 -5.090 1.00 0.00 H new ATOM 1960 N ALA A 126 12.897 -3.476 -1.612 1.00 0.00 N ATOM 1961 CA ALA A 126 13.102 -4.771 -0.979 1.00 0.00 C ATOM 1962 C ALA A 126 14.112 -4.639 0.147 1.00 0.00 C ATOM 1963 O ALA A 126 13.897 -5.138 1.250 1.00 0.00 O ATOM 1964 CB ALA A 126 13.573 -5.800 -1.996 1.00 0.00 C ATOM 0 H ALA A 126 13.064 -3.463 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 126 12.152 -5.113 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.720 -6.760 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.823 -5.907 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.514 -5.471 -2.437 1.00 0.00 H new ATOM 1970 N ASN A 127 15.207 -3.943 -0.139 1.00 0.00 N ATOM 1971 CA ASN A 127 16.247 -3.724 0.851 1.00 0.00 C ATOM 1972 C ASN A 127 15.830 -2.639 1.828 1.00 0.00 C ATOM 1973 O ASN A 127 16.258 -2.638 2.982 1.00 0.00 O ATOM 1974 CB ASN A 127 17.567 -3.348 0.175 1.00 0.00 C ATOM 1975 CG ASN A 127 18.390 -4.564 -0.204 1.00 0.00 C ATOM 1976 OD1 ASN A 127 19.359 -4.907 0.472 1.00 0.00 O ATOM 1977 ND2 ASN A 127 18.004 -5.224 -1.290 1.00 0.00 N ATOM 0 H ASN A 127 15.394 -3.522 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 127 16.394 -4.653 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.359 -2.760 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.148 -2.714 0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 127 18.518 -6.051 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 127 17.194 -4.904 -1.821 1.00 0.00 H new ATOM 1984 N ALA A 128 14.977 -1.727 1.371 1.00 0.00 N ATOM 1985 CA ALA A 128 14.492 -0.657 2.227 1.00 0.00 C ATOM 1986 C ALA A 128 13.999 -1.234 3.547 1.00 0.00 C ATOM 1987 O ALA A 128 14.143 -0.624 4.606 1.00 0.00 O ATOM 1988 CB ALA A 128 13.377 0.106 1.529 1.00 0.00 C ATOM 0 H ALA A 128 14.611 -1.710 0.419 1.00 0.00 H new ATOM 0 HA ALA A 128 15.309 0.035 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.021 0.905 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.755 0.534 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.555 -0.574 1.306 1.00 0.00 H new ATOM 1994 N ALA A 129 13.420 -2.429 3.462 1.00 0.00 N ATOM 1995 CA ALA A 129 12.903 -3.120 4.633 1.00 0.00 C ATOM 1996 C ALA A 129 13.988 -3.950 5.304 1.00 0.00 C ATOM 1997 O ALA A 129 14.068 -4.003 6.527 1.00 0.00 O ATOM 1998 CB ALA A 129 11.725 -4.003 4.246 1.00 0.00 C ATOM 0 H ALA A 129 13.298 -2.939 2.587 1.00 0.00 H new ATOM 0 HA ALA A 129 12.563 -2.369 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.347 -4.515 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 129 10.934 -3.387 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.049 -4.740 3.511 1.00 0.00 H new ATOM 2004 N LEU A 130 14.819 -4.600 4.493 1.00 0.00 N ATOM 2005 CA LEU A 130 15.900 -5.437 5.010 1.00 0.00 C ATOM 2006 C LEU A 130 16.707 -4.703 6.076 1.00 0.00 C ATOM 2007 O LEU A 130 17.284 -5.326 6.968 1.00 0.00 O ATOM 2008 CB LEU A 130 16.813 -5.882 3.865 1.00 0.00 C ATOM 2009 CG LEU A 130 16.133 -6.740 2.796 1.00 0.00 C ATOM 2010 CD1 LEU A 130 17.052 -6.947 1.598 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.700 -8.077 3.380 1.00 0.00 C ATOM 0 H LEU A 130 14.765 -4.564 3.475 1.00 0.00 H new ATOM 0 HA LEU A 130 15.455 -6.317 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.231 -4.996 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.649 -6.443 4.283 1.00 0.00 H new ATOM 0 HG LEU A 130 15.244 -6.212 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.545 -7.560 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.305 -5.980 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 130 17.964 -7.449 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.218 -8.674 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.573 -8.609 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.998 -7.907 4.196 1.00 0.00 H new ATOM 2023 N ALA A 131 16.739 -3.379 5.984 1.00 0.00 N ATOM 2024 CA ALA A 131 17.468 -2.566 6.950 1.00 0.00 C ATOM 2025 C ALA A 131 16.797 -2.624 8.318 1.00 0.00 C ATOM 2026 O ALA A 131 17.459 -2.543 9.353 1.00 0.00 O ATOM 2027 CB ALA A 131 17.561 -1.127 6.466 1.00 0.00 C ATOM 0 H ALA A 131 16.270 -2.846 5.252 1.00 0.00 H new ATOM 0 HA ALA A 131 18.477 -2.968 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 131 18.108 -0.532 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 131 18.084 -1.098 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.558 -0.719 6.343 1.00 0.00 H new ATOM 2033 N ALA A 132 15.476 -2.770 8.311 1.00 0.00 N ATOM 2034 CA ALA A 132 14.699 -2.845 9.544 1.00 0.00 C ATOM 2035 C ALA A 132 14.036 -4.214 9.702 1.00 0.00 C ATOM 2036 O ALA A 132 13.410 -4.496 10.723 1.00 0.00 O ATOM 2037 CB ALA A 132 13.648 -1.746 9.564 1.00 0.00 C ATOM 0 H ALA A 132 14.918 -2.839 7.460 1.00 0.00 H new ATOM 0 HA ALA A 132 15.381 -2.705 10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.073 -1.809 10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 132 14.137 -0.774 9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.980 -1.866 8.711 1.00 0.00 H new ATOM 2043 N ASN A 133 14.169 -5.056 8.680 1.00 0.00 N ATOM 2044 CA ASN A 133 13.577 -6.389 8.696 1.00 0.00 C ATOM 2045 C ASN A 133 12.058 -6.306 8.783 1.00 0.00 C ATOM 2046 O ASN A 133 11.408 -7.194 9.336 1.00 0.00 O ATOM 2047 CB ASN A 133 14.125 -7.207 9.863 1.00 0.00 C ATOM 2048 CG ASN A 133 14.175 -8.691 9.556 1.00 0.00 C ATOM 2049 OD1 ASN A 133 13.519 -9.496 10.217 1.00 0.00 O ATOM 2050 ND2 ASN A 133 14.957 -9.060 8.548 1.00 0.00 N ATOM 0 H ASN A 133 14.684 -4.836 7.827 1.00 0.00 H new ATOM 0 HA ASN A 133 13.844 -6.887 7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 133 15.127 -6.856 10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 133 13.503 -7.042 10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 133 15.032 -10.045 8.295 1.00 0.00 H new ATOM 0 HD22 ASN A 133 15.483 -8.358 8.027 1.00 0.00 H new ATOM 2057 N ALA A 134 11.497 -5.235 8.231 1.00 0.00 N ATOM 2058 CA ALA A 134 10.055 -5.036 8.243 1.00 0.00 C ATOM 2059 C ALA A 134 9.377 -5.909 7.192 1.00 0.00 C ATOM 2060 O ALA A 134 9.728 -5.860 6.012 1.00 0.00 O ATOM 2061 CB ALA A 134 9.723 -3.569 8.013 1.00 0.00 C ATOM 0 H ALA A 134 12.021 -4.492 7.770 1.00 0.00 H new ATOM 0 HA ALA A 134 9.677 -5.330 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.641 -3.435 8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 134 10.172 -2.966 8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.118 -3.254 7.047 1.00 0.00 H new ATOM 2067 N VAL A 135 8.409 -6.707 7.626 1.00 0.00 N ATOM 2068 CA VAL A 135 7.684 -7.592 6.721 1.00 0.00 C ATOM 2069 C VAL A 135 7.029 -6.802 5.594 1.00 0.00 C ATOM 2070 O VAL A 135 6.115 -6.010 5.827 1.00 0.00 O ATOM 2071 CB VAL A 135 6.602 -8.398 7.465 1.00 0.00 C ATOM 2072 CG1 VAL A 135 6.077 -9.524 6.586 1.00 0.00 C ATOM 2073 CG2 VAL A 135 7.145 -8.942 8.780 1.00 0.00 C ATOM 0 H VAL A 135 8.107 -6.760 8.599 1.00 0.00 H new ATOM 0 HA VAL A 135 8.414 -8.284 6.302 1.00 0.00 H new ATOM 0 HB VAL A 135 5.772 -7.730 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.314 -10.083 7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.644 -9.105 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.897 -10.192 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.365 -9.508 9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.995 -9.594 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.464 -8.114 9.412 1.00 0.00 H new ATOM 2083 N THR A 136 7.505 -7.017 4.372 1.00 0.00 N ATOM 2084 CA THR A 136 6.967 -6.319 3.211 1.00 0.00 C ATOM 2085 C THR A 136 6.589 -7.295 2.105 1.00 0.00 C ATOM 2086 O THR A 136 7.031 -8.444 2.095 1.00 0.00 O ATOM 2087 CB THR A 136 7.985 -5.310 2.681 1.00 0.00 C ATOM 2088 OG1 THR A 136 9.217 -5.947 2.390 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.269 -4.184 3.649 1.00 0.00 C ATOM 0 H THR A 136 8.261 -7.668 4.161 1.00 0.00 H new ATOM 0 HA THR A 136 6.066 -5.793 3.528 1.00 0.00 H new ATOM 0 HB THR A 136 7.535 -4.890 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 136 9.855 -5.285 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 136 8.999 -3.503 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.347 -3.642 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.666 -4.594 4.578 1.00 0.00 H new ATOM 2097 N GLN A 137 5.773 -6.822 1.171 1.00 0.00 N ATOM 2098 CA GLN A 137 5.332 -7.639 0.049 1.00 0.00 C ATOM 2099 C GLN A 137 4.825 -6.757 -1.085 1.00 0.00 C ATOM 2100 O GLN A 137 3.856 -6.016 -0.921 1.00 0.00 O ATOM 2101 CB GLN A 137 4.232 -8.608 0.494 1.00 0.00 C ATOM 2102 CG GLN A 137 3.188 -7.972 1.399 1.00 0.00 C ATOM 2103 CD GLN A 137 3.495 -8.169 2.871 1.00 0.00 C ATOM 2104 OE1 GLN A 137 4.219 -7.381 3.477 1.00 0.00 O ATOM 2105 NE2 GLN A 137 2.941 -9.226 3.453 1.00 0.00 N ATOM 0 H GLN A 137 5.402 -5.872 1.169 1.00 0.00 H new ATOM 0 HA GLN A 137 6.183 -8.217 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.737 -9.012 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.689 -9.448 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 137 3.127 -6.905 1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.210 -8.398 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 137 2.347 -9.853 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 137 3.110 -9.411 4.442 1.00 0.00 H new ATOM 2114 N VAL A 138 5.486 -6.838 -2.235 1.00 0.00 N ATOM 2115 CA VAL A 138 5.097 -6.043 -3.392 1.00 0.00 C ATOM 2116 C VAL A 138 4.007 -6.744 -4.192 1.00 0.00 C ATOM 2117 O VAL A 138 4.125 -7.920 -4.533 1.00 0.00 O ATOM 2118 CB VAL A 138 6.303 -5.740 -4.301 1.00 0.00 C ATOM 2119 CG1 VAL A 138 5.927 -4.723 -5.367 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.476 -5.238 -3.471 1.00 0.00 C ATOM 0 H VAL A 138 6.291 -7.445 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 138 4.706 -5.097 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 138 6.601 -6.662 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 138 6.792 -4.522 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.115 -5.119 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.604 -3.798 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.322 -5.028 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.187 -4.327 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.760 -6.000 -2.745 1.00 0.00 H new ATOM 2130 N ALA A 139 2.934 -6.012 -4.465 1.00 0.00 N ATOM 2131 CA ALA A 139 1.796 -6.547 -5.197 1.00 0.00 C ATOM 2132 C ALA A 139 1.928 -6.314 -6.700 1.00 0.00 C ATOM 2133 O ALA A 139 2.912 -5.742 -7.169 1.00 0.00 O ATOM 2134 CB ALA A 139 0.513 -5.926 -4.666 1.00 0.00 C ATOM 0 H ALA A 139 2.829 -5.036 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 139 1.767 -7.626 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.339 -6.327 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.406 -6.161 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.552 -4.844 -4.795 1.00 0.00 H new ATOM 2140 N LYS A 140 0.928 -6.773 -7.449 1.00 0.00 N ATOM 2141 CA LYS A 140 0.921 -6.629 -8.903 1.00 0.00 C ATOM 2142 C LYS A 140 0.583 -5.201 -9.321 1.00 0.00 C ATOM 2143 O LYS A 140 0.106 -4.401 -8.515 1.00 0.00 O ATOM 2144 CB LYS A 140 -0.081 -7.603 -9.526 1.00 0.00 C ATOM 2145 CG LYS A 140 -0.011 -9.007 -8.943 1.00 0.00 C ATOM 2146 CD LYS A 140 0.469 -10.018 -9.972 1.00 0.00 C ATOM 2147 CE LYS A 140 -0.214 -11.365 -9.793 1.00 0.00 C ATOM 2148 NZ LYS A 140 0.758 -12.491 -9.845 1.00 0.00 N ATOM 0 H LYS A 140 0.109 -7.250 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 140 1.923 -6.860 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.089 -7.212 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 140 0.096 -7.656 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 140 0.662 -9.012 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -0.995 -9.299 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 140 0.271 -9.639 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 140 1.548 -10.142 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -0.739 -11.382 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -0.965 -11.498 -10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 0.253 -13.391 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 1.241 -12.491 -10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.460 -12.379 -9.086 1.00 0.00 H new ATOM 2162 N VAL A 141 0.835 -4.891 -10.590 1.00 0.00 N ATOM 2163 CA VAL A 141 0.562 -3.564 -11.129 1.00 0.00 C ATOM 2164 C VAL A 141 -0.660 -3.578 -12.044 1.00 0.00 C ATOM 2165 O VAL A 141 -0.820 -4.478 -12.868 1.00 0.00 O ATOM 2166 CB VAL A 141 1.775 -3.028 -11.917 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.538 -1.599 -12.377 1.00 0.00 C ATOM 2168 CG2 VAL A 141 3.038 -3.106 -11.075 1.00 0.00 C ATOM 0 H VAL A 141 1.230 -5.545 -11.266 1.00 0.00 H new ATOM 0 HA VAL A 141 0.364 -2.909 -10.281 1.00 0.00 H new ATOM 0 HB VAL A 141 1.904 -3.655 -12.799 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.408 -1.246 -12.930 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.660 -1.565 -13.022 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.375 -0.960 -11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 141 3.882 -2.723 -11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 141 2.911 -2.508 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.228 -4.143 -10.799 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.520 -2.573 -11.897 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.726 -2.469 -12.714 1.00 0.00 C ATOM 2180 C PHE A 142 -2.623 -1.315 -13.702 1.00 0.00 C ATOM 2181 O PHE A 142 -3.236 -1.339 -14.768 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.973 -2.268 -11.849 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.700 -1.756 -10.470 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -3.056 -2.550 -9.540 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -4.103 -0.485 -10.099 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.815 -2.087 -8.265 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.868 -0.016 -8.823 1.00 0.00 C ATOM 2188 CZ PHE A 142 -3.221 -0.821 -7.903 1.00 0.00 C ATOM 0 H PHE A 142 -1.404 -1.819 -11.220 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.817 -3.408 -13.260 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.641 -1.571 -12.355 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.502 -3.218 -11.771 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.738 -3.545 -9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.607 0.146 -10.816 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.308 -2.717 -7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.188 0.977 -8.543 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.034 -0.458 -6.903 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.863 -0.295 -13.325 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.698 0.887 -14.159 1.00 0.00 C ATOM 2200 C ASP A 143 -0.518 0.755 -15.118 1.00 0.00 C ATOM 2201 O ASP A 143 0.038 1.757 -15.568 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.522 2.117 -13.276 1.00 0.00 C ATOM 2203 CG ASP A 143 -2.839 2.596 -12.696 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -3.776 1.776 -12.597 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -2.935 3.788 -12.342 1.00 0.00 O ATOM 0 H ASP A 143 -1.350 -0.263 -12.444 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.597 0.993 -14.766 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.832 1.885 -12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -1.070 2.919 -13.859 1.00 0.00 H new ATOM 2210 N GLN A 144 -0.142 -0.477 -15.436 1.00 0.00 N ATOM 2211 CA GLN A 144 0.968 -0.712 -16.354 1.00 0.00 C ATOM 2212 C GLN A 144 0.528 -0.482 -17.798 1.00 0.00 C ATOM 2213 O GLN A 144 1.341 -0.133 -18.653 1.00 0.00 O ATOM 2214 CB GLN A 144 1.551 -2.126 -16.195 1.00 0.00 C ATOM 2215 CG GLN A 144 0.696 -3.078 -15.372 1.00 0.00 C ATOM 2216 CD GLN A 144 1.186 -4.511 -15.442 1.00 0.00 C ATOM 2217 OE1 GLN A 144 1.430 -5.146 -14.417 1.00 0.00 O ATOM 2218 NE2 GLN A 144 1.333 -5.027 -16.656 1.00 0.00 N ATOM 0 H GLN A 144 -0.584 -1.323 -15.076 1.00 0.00 H new ATOM 0 HA GLN A 144 1.753 0.001 -16.104 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.699 -2.556 -17.185 1.00 0.00 H new ATOM 0 HB3 GLN A 144 2.534 -2.049 -15.731 1.00 0.00 H new ATOM 0 HG2 GLN A 144 0.691 -2.750 -14.333 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -0.334 -3.033 -15.725 1.00 0.00 H new ATOM 0 HE21 GLN A 144 1.119 -4.464 -17.479 1.00 0.00 H new ATOM 0 HE22 GLN A 144 1.660 -5.987 -16.766 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.763 -0.676 -18.067 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.298 -0.483 -19.405 1.00 0.00 C ATOM 2229 C TYR A 145 -2.120 0.805 -19.496 1.00 0.00 C ATOM 2230 O TYR A 145 -2.409 1.285 -20.592 1.00 0.00 O ATOM 2231 CB TYR A 145 -2.153 -1.677 -19.834 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.672 -2.526 -18.699 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -1.805 -3.273 -17.916 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -4.028 -2.583 -18.415 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -2.274 -4.052 -16.881 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -4.508 -3.359 -17.380 1.00 0.00 C ATOM 2237 CZ TYR A 145 -3.625 -4.093 -16.614 1.00 0.00 C ATOM 2238 OH TYR A 145 -4.098 -4.870 -15.581 1.00 0.00 O ATOM 0 H TYR A 145 -1.453 -0.966 -17.374 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.448 -0.399 -20.083 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -3.001 -1.309 -20.411 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -1.564 -2.307 -20.500 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -0.745 -3.244 -18.121 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -4.720 -2.010 -19.014 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -1.585 -4.628 -16.281 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -5.567 -3.392 -17.171 1.00 0.00 H new ATOM 0 HH TYR A 145 -3.417 -4.931 -14.879 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.495 1.361 -18.345 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.282 2.591 -18.314 1.00 0.00 C ATOM 2250 C LEU A 146 -2.803 3.524 -17.207 1.00 0.00 C ATOM 2251 O LEU A 146 -1.855 3.213 -16.485 1.00 0.00 O ATOM 2252 CB LEU A 146 -4.781 2.289 -18.142 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.172 1.399 -16.950 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.498 0.040 -17.039 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -4.846 2.075 -15.624 1.00 0.00 C ATOM 0 H LEU A 146 -2.268 0.981 -17.426 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.140 3.091 -19.272 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.311 3.237 -18.048 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.140 1.813 -19.055 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.251 1.248 -16.993 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.792 -0.569 -16.184 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.802 -0.457 -17.960 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.416 0.170 -17.037 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.134 1.421 -14.801 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.776 2.275 -15.571 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.394 3.014 -15.550 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.467 4.669 -17.079 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.113 5.650 -16.061 1.00 0.00 C ATOM 2269 C ASN A 147 -1.670 6.116 -16.231 1.00 0.00 C ATOM 2270 O ASN A 147 -0.764 5.445 -15.694 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.309 5.060 -14.662 1.00 0.00 C ATOM 2272 CG ASN A 147 -3.866 6.074 -13.682 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -4.726 5.614 -12.780 1.00 0.00 O flip ATOM 2274 ND2 ASN A 147 -3.528 7.256 -13.733 1.00 0.00 N flip ATOM 2275 OXT ASN A 147 -1.458 7.148 -16.903 1.00 0.00 O ATOM 0 H ASN A 147 -4.254 4.940 -17.669 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.770 6.511 -16.180 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -3.985 4.207 -14.722 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.355 4.686 -14.291 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.864 7.566 -14.443 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.911 7.925 -13.066 1.00 0.00 H new