USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1069 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 130 HIS : no HD1:sc= -0.556 X(o=-0.99,f=-0.54) USER MOD Set 1.2: A 139 HIS : no HD1:sc= -0.43 X(o=-0.99,f=-0.86) USER MOD Set 2.1: A 94 GLN :FLIP amide:sc= 0.519 F(o=0.033,f=1.1) USER MOD Set 2.2: A 109 SER OG : rot 76:sc= 0.601 USER MOD Set 3.1: A 91 THR OG1 : rot -118:sc= 1.06 USER MOD Set 3.2: A 116 THR OG1 : rot -82:sc= 1.21 USER MOD Set 4.1: A 35 CYS SG : rot 180:sc= -0.391 USER MOD Set 4.2: A 96 GLN :FLIP amide:sc= 0.186 F(o=-0.71,f=-0.21) USER MOD Set 5.1: A 14 GLN : amide:sc= -0.0356 K(o=-0.058,f=-0.65) USER MOD Set 5.2: A 135 SER OG : rot -170:sc= -0.0223 USER MOD Single : A 3 HIS : no HD1:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 7 TYR OH : rot -63:sc= 1.23 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 1.24 (180deg=0.527) USER MOD Single : A 16 ASN : amide:sc= -0.435 X(o=-0.44,f=0.00087) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -146:sc= -1.01 (180deg=-1.57) USER MOD Single : A 23 HIS : no HD1:sc= -0.0245 X(o=-0.024,f=-0.006) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 39 SER OG : rot 171:sc= -1.09 USER MOD Single : A 48 HIS : no HD1:sc= -0.0211 K(o=-0.021,f=-1.3) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.386 F(o=-1.7,f=-0.39) USER MOD Single : A 55 TYR OH : rot 31:sc= 0.441 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.46) USER MOD Single : A 74 MET CE :methyl 161:sc= -0.374 (180deg=-1.2) USER MOD Single : A 84 CYS SG : rot 176:sc= 0.574 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 87 MET CE :methyl 155:sc= -0.912 (180deg=-2.07) USER MOD Single : A 88 TYR OH : rot 157:sc= 0.579 USER MOD Single : A 89 GLN : amide:sc= 0.605 K(o=0.6,f=-3.1!) USER MOD Single : A 111 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.01) USER MOD Single : A 112 CYS SG : rot 82:sc= -3.71! USER MOD Single : A 115 TYR OH : rot 6:sc= 1.24 USER MOD Single : A 117 THR OG1 : rot 111:sc= 0.564 USER MOD Single : A 119 THR OG1 : rot -37:sc= 0.493 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 35:sc= 0.906 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 150:sc=-0.00389 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -13.388 -3.332 7.459 1.00 0.00 N ATOM 19 CA ALA A 2 -12.599 -2.135 7.200 1.00 0.00 C ATOM 20 C ALA A 2 -12.554 -1.913 5.682 1.00 0.00 C ATOM 21 O ALA A 2 -13.026 -2.753 4.909 1.00 0.00 O ATOM 22 CB ALA A 2 -11.181 -2.329 7.758 1.00 0.00 C ATOM 0 HA ALA A 2 -13.044 -1.266 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.589 -1.435 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.234 -2.505 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.713 -3.186 7.273 1.00 0.00 H new ATOM 28 N HIS A 3 -11.932 -0.823 5.240 1.00 0.00 N ATOM 29 CA HIS A 3 -11.509 -0.642 3.860 1.00 0.00 C ATOM 30 C HIS A 3 -10.058 -0.188 3.866 1.00 0.00 C ATOM 31 O HIS A 3 -9.604 0.466 4.813 1.00 0.00 O ATOM 32 CB HIS A 3 -12.358 0.418 3.164 1.00 0.00 C ATOM 33 CG HIS A 3 -13.828 0.107 3.056 1.00 0.00 C ATOM 34 ND1 HIS A 3 -14.810 0.468 3.951 1.00 0.00 N ATOM 35 CD2 HIS A 3 -14.439 -0.482 1.987 1.00 0.00 C ATOM 36 CE1 HIS A 3 -15.990 0.075 3.440 1.00 0.00 C ATOM 37 NE2 HIS A 3 -15.812 -0.513 2.246 1.00 0.00 N ATOM 0 H HIS A 3 -11.706 -0.031 5.842 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.625 -1.583 3.322 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.243 1.360 3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.963 0.573 2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.949 -0.857 1.100 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.947 0.213 3.922 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.537 -0.906 1.645 1.00 0.00 H new ATOM 45 N ILE A 4 -9.329 -0.500 2.798 1.00 0.00 N ATOM 46 CA ILE A 4 -7.957 -0.051 2.624 1.00 0.00 C ATOM 47 C ILE A 4 -7.732 0.377 1.172 1.00 0.00 C ATOM 48 O ILE A 4 -8.572 0.159 0.289 1.00 0.00 O ATOM 49 CB ILE A 4 -6.953 -1.129 3.099 1.00 0.00 C ATOM 50 CG1 ILE A 4 -7.047 -2.413 2.253 1.00 0.00 C ATOM 51 CG2 ILE A 4 -7.121 -1.422 4.601 1.00 0.00 C ATOM 52 CD1 ILE A 4 -5.914 -3.380 2.576 1.00 0.00 C ATOM 0 H ILE A 4 -9.677 -1.073 2.029 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.779 0.822 3.252 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.950 -0.728 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.005 -2.900 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.016 -2.155 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.403 -2.183 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.947 -0.510 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.132 -1.781 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.012 -4.274 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.957 -2.901 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.961 -3.657 3.629 1.00 0.00 H new ATOM 64 N PHE A 5 -6.566 0.960 0.920 1.00 0.00 N ATOM 65 CA PHE A 5 -6.113 1.436 -0.374 1.00 0.00 C ATOM 66 C PHE A 5 -4.851 0.649 -0.750 1.00 0.00 C ATOM 67 O PHE A 5 -3.981 0.467 0.109 1.00 0.00 O ATOM 68 CB PHE A 5 -5.898 2.947 -0.236 1.00 0.00 C ATOM 69 CG PHE A 5 -5.590 3.637 -1.529 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.608 3.761 -2.482 1.00 0.00 C ATOM 71 CD2 PHE A 5 -4.318 4.173 -1.772 1.00 0.00 C ATOM 72 CE1 PHE A 5 -6.327 4.332 -3.732 1.00 0.00 C ATOM 73 CE2 PHE A 5 -4.039 4.753 -3.022 1.00 0.00 C ATOM 74 CZ PHE A 5 -5.042 4.833 -3.997 1.00 0.00 C ATOM 0 H PHE A 5 -5.877 1.120 1.655 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.827 1.277 -1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.793 3.393 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.081 3.125 0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.607 3.418 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.558 4.141 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.096 4.386 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.051 5.137 -3.231 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.826 5.281 -4.956 1.00 0.00 H new ATOM 84 N VAL A 6 -4.749 0.137 -1.983 1.00 0.00 N ATOM 85 CA VAL A 6 -3.591 -0.638 -2.439 1.00 0.00 C ATOM 86 C VAL A 6 -2.546 0.277 -3.084 1.00 0.00 C ATOM 87 O VAL A 6 -2.862 1.138 -3.909 1.00 0.00 O ATOM 88 CB VAL A 6 -3.963 -1.794 -3.392 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.403 -3.026 -2.598 1.00 0.00 C ATOM 90 CG2 VAL A 6 -5.032 -1.454 -4.429 1.00 0.00 C ATOM 0 H VAL A 6 -5.471 0.250 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.164 -1.100 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.050 -1.998 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.661 -3.830 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.589 -3.351 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.273 -2.776 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.226 -2.327 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.950 -1.159 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.683 -0.632 -5.055 1.00 0.00 H new ATOM 100 N TYR A 7 -1.284 0.011 -2.762 1.00 0.00 N ATOM 101 CA TYR A 7 -0.086 0.700 -3.220 1.00 0.00 C ATOM 102 C TYR A 7 0.270 0.340 -4.658 1.00 0.00 C ATOM 103 O TYR A 7 0.782 1.173 -5.413 1.00 0.00 O ATOM 104 CB TYR A 7 1.059 0.253 -2.297 1.00 0.00 C ATOM 105 CG TYR A 7 0.796 0.645 -0.861 1.00 0.00 C ATOM 106 CD1 TYR A 7 0.949 1.990 -0.508 1.00 0.00 C ATOM 107 CD2 TYR A 7 0.250 -0.263 0.067 1.00 0.00 C ATOM 108 CE1 TYR A 7 0.536 2.446 0.745 1.00 0.00 C ATOM 109 CE2 TYR A 7 -0.171 0.190 1.332 1.00 0.00 C ATOM 110 CZ TYR A 7 -0.029 1.552 1.674 1.00 0.00 C ATOM 111 OH TYR A 7 -0.524 2.022 2.839 1.00 0.00 O ATOM 0 H TYR A 7 -1.057 -0.752 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.253 1.777 -3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.181 -0.828 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.994 0.701 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.390 2.681 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.154 -1.307 -0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.650 3.489 1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.602 -0.503 2.039 1.00 0.00 H new ATOM 0 HH TYR A 7 0.199 2.428 3.362 1.00 0.00 H new ATOM 121 N GLY A 8 0.035 -0.919 -5.022 1.00 0.00 N ATOM 122 CA GLY A 8 0.508 -1.520 -6.257 1.00 0.00 C ATOM 123 C GLY A 8 0.585 -3.032 -6.100 1.00 0.00 C ATOM 124 O GLY A 8 0.230 -3.791 -7.009 1.00 0.00 O ATOM 0 H GLY A 8 -0.506 -1.564 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.163 -1.264 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.490 -1.122 -6.513 1.00 0.00 H new ATOM 128 N THR A 9 1.000 -3.471 -4.907 1.00 0.00 N ATOM 129 CA THR A 9 1.389 -4.830 -4.600 1.00 0.00 C ATOM 130 C THR A 9 0.256 -5.828 -4.783 1.00 0.00 C ATOM 131 O THR A 9 0.531 -6.986 -5.103 1.00 0.00 O ATOM 132 CB THR A 9 1.984 -4.890 -3.189 1.00 0.00 C ATOM 133 OG1 THR A 9 1.285 -4.060 -2.296 1.00 0.00 O ATOM 134 CG2 THR A 9 3.421 -4.396 -3.212 1.00 0.00 C ATOM 0 H THR A 9 1.073 -2.852 -4.100 1.00 0.00 H new ATOM 0 HA THR A 9 2.153 -5.128 -5.318 1.00 0.00 H new ATOM 0 HB THR A 9 1.919 -5.928 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.689 -4.124 -1.406 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.838 -4.441 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.011 -5.025 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.446 -3.366 -3.569 1.00 0.00 H new ATOM 142 N LEU A 10 -0.999 -5.383 -4.721 1.00 0.00 N ATOM 143 CA LEU A 10 -2.162 -6.177 -5.074 1.00 0.00 C ATOM 144 C LEU A 10 -3.063 -5.295 -5.955 1.00 0.00 C ATOM 145 O LEU A 10 -4.149 -4.894 -5.556 1.00 0.00 O ATOM 146 CB LEU A 10 -2.866 -6.697 -3.806 1.00 0.00 C ATOM 147 CG LEU A 10 -1.952 -7.416 -2.790 1.00 0.00 C ATOM 148 CD1 LEU A 10 -1.390 -6.477 -1.717 1.00 0.00 C ATOM 149 CD2 LEU A 10 -2.730 -8.510 -2.062 1.00 0.00 C ATOM 0 H LEU A 10 -1.234 -4.438 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.887 -7.069 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.346 -5.856 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.658 -7.383 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.126 -7.823 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.756 -7.043 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.802 -5.692 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.212 -6.027 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.074 -9.009 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.572 -8.066 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.099 -9.237 -2.786 1.00 0.00 H new ATOM 161 N LYS A 11 -2.557 -4.884 -7.123 1.00 0.00 N ATOM 162 CA LYS A 11 -3.218 -3.985 -8.074 1.00 0.00 C ATOM 163 C LYS A 11 -2.687 -4.213 -9.490 1.00 0.00 C ATOM 164 O LYS A 11 -3.500 -4.344 -10.399 1.00 0.00 O ATOM 165 CB LYS A 11 -3.041 -2.520 -7.632 1.00 0.00 C ATOM 166 CG LYS A 11 -3.826 -1.486 -8.475 1.00 0.00 C ATOM 167 CD LYS A 11 -2.938 -0.748 -9.493 1.00 0.00 C ATOM 168 CE LYS A 11 -3.577 0.518 -10.085 1.00 0.00 C ATOM 169 NZ LYS A 11 -4.311 0.257 -11.335 1.00 0.00 N ATOM 0 H LYS A 11 -1.636 -5.182 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.285 -4.206 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.352 -2.430 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.981 -2.269 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.633 -1.993 -9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.289 -0.758 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.000 -0.476 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.692 -1.431 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.258 0.952 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.799 1.258 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.195 1.064 -11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.936 -0.602 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.321 0.125 -11.124 1.00 0.00 H new ATOM 183 N ARG A 12 -1.360 -4.245 -9.687 1.00 0.00 N ATOM 184 CA ARG A 12 -0.777 -4.592 -10.988 1.00 0.00 C ATOM 185 C ARG A 12 -0.672 -6.103 -11.131 1.00 0.00 C ATOM 186 O ARG A 12 -1.602 -6.744 -11.609 1.00 0.00 O ATOM 187 CB ARG A 12 0.592 -3.910 -11.216 1.00 0.00 C ATOM 188 CG ARG A 12 0.515 -2.567 -11.945 1.00 0.00 C ATOM 189 CD ARG A 12 0.235 -1.414 -10.998 1.00 0.00 C ATOM 190 NE ARG A 12 -0.208 -0.221 -11.735 1.00 0.00 N ATOM 191 CZ ARG A 12 -0.217 1.026 -11.255 1.00 0.00 C ATOM 192 NH1 ARG A 12 0.378 1.297 -10.098 1.00 0.00 N ATOM 193 NH2 ARG A 12 -0.880 1.964 -11.909 1.00 0.00 N ATOM 0 H ARG A 12 -0.674 -4.035 -8.962 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.445 -4.213 -11.762 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.074 -3.758 -10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.229 -4.584 -11.788 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.454 -2.385 -12.468 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.268 -2.611 -12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.531 -1.707 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.134 -1.180 -10.428 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.535 -0.357 -12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.842 0.553 -9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.371 2.249 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.377 1.732 -12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.895 2.920 -11.554 1.00 0.00 H new ATOM 207 N GLY A 13 0.421 -6.684 -10.644 1.00 0.00 N ATOM 208 CA GLY A 13 0.728 -8.091 -10.818 1.00 0.00 C ATOM 209 C GLY A 13 1.949 -8.486 -9.995 1.00 0.00 C ATOM 210 O GLY A 13 2.764 -9.297 -10.427 1.00 0.00 O ATOM 0 H GLY A 13 1.127 -6.177 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.129 -8.694 -10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.911 -8.300 -11.872 1.00 0.00 H new ATOM 214 N GLN A 14 2.164 -7.808 -8.866 1.00 0.00 N ATOM 215 CA GLN A 14 3.287 -8.026 -7.954 1.00 0.00 C ATOM 216 C GLN A 14 3.242 -9.450 -7.392 1.00 0.00 C ATOM 217 O GLN A 14 2.166 -10.057 -7.368 1.00 0.00 O ATOM 218 CB GLN A 14 3.235 -6.968 -6.846 1.00 0.00 C ATOM 219 CG GLN A 14 4.190 -5.786 -7.049 1.00 0.00 C ATOM 220 CD GLN A 14 3.655 -4.778 -8.064 1.00 0.00 C ATOM 221 OE1 GLN A 14 3.074 -3.763 -7.692 1.00 0.00 O ATOM 222 NE2 GLN A 14 3.755 -5.075 -9.344 1.00 0.00 N ATOM 0 H GLN A 14 1.539 -7.066 -8.551 1.00 0.00 H new ATOM 0 HA GLN A 14 4.233 -7.923 -8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.216 -6.587 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.466 -7.446 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.354 -5.286 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.158 -6.157 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.242 -5.923 -9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.346 -4.457 -10.044 1.00 0.00 H new ATOM 231 N PRO A 15 4.358 -9.950 -6.825 1.00 0.00 N ATOM 232 CA PRO A 15 4.439 -11.313 -6.300 1.00 0.00 C ATOM 233 C PRO A 15 3.424 -11.583 -5.187 1.00 0.00 C ATOM 234 O PRO A 15 3.098 -12.732 -4.885 1.00 0.00 O ATOM 235 CB PRO A 15 5.880 -11.501 -5.804 1.00 0.00 C ATOM 236 CG PRO A 15 6.449 -10.092 -5.702 1.00 0.00 C ATOM 237 CD PRO A 15 5.629 -9.254 -6.667 1.00 0.00 C ATOM 0 HA PRO A 15 4.190 -12.030 -7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.902 -12.006 -4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.459 -12.111 -6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.370 -9.709 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.506 -10.075 -5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.477 -8.248 -6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.139 -9.151 -7.625 1.00 0.00 H new ATOM 245 N ASN A 16 2.866 -10.535 -4.587 1.00 0.00 N ATOM 246 CA ASN A 16 1.959 -10.654 -3.466 1.00 0.00 C ATOM 247 C ASN A 16 0.536 -10.891 -3.952 1.00 0.00 C ATOM 248 O ASN A 16 -0.281 -11.308 -3.155 1.00 0.00 O ATOM 249 CB ASN A 16 2.011 -9.376 -2.607 1.00 0.00 C ATOM 250 CG ASN A 16 3.429 -8.843 -2.467 1.00 0.00 C ATOM 251 OD1 ASN A 16 4.242 -9.346 -1.698 1.00 0.00 O ATOM 252 ND2 ASN A 16 3.755 -7.876 -3.315 1.00 0.00 N ATOM 0 H ASN A 16 3.038 -9.571 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 16 2.268 -11.506 -2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.378 -8.611 -3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.603 -9.586 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.712 -7.524 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.049 -7.485 -3.938 1.00 0.00 H new ATOM 259 N HIS A 17 0.189 -10.634 -5.218 1.00 0.00 N ATOM 260 CA HIS A 17 -1.212 -10.506 -5.622 1.00 0.00 C ATOM 261 C HIS A 17 -2.027 -11.775 -5.312 1.00 0.00 C ATOM 262 O HIS A 17 -3.175 -11.660 -4.879 1.00 0.00 O ATOM 263 CB HIS A 17 -1.272 -10.085 -7.104 1.00 0.00 C ATOM 264 CG HIS A 17 -2.516 -9.341 -7.538 1.00 0.00 C ATOM 265 ND1 HIS A 17 -2.527 -8.132 -8.208 1.00 0.00 N ATOM 266 CD2 HIS A 17 -3.813 -9.773 -7.446 1.00 0.00 C ATOM 267 CE1 HIS A 17 -3.807 -7.840 -8.506 1.00 0.00 C ATOM 268 NE2 HIS A 17 -4.616 -8.819 -8.076 1.00 0.00 N ATOM 0 H HIS A 17 0.859 -10.511 -5.977 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.688 -9.724 -5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.406 -9.458 -7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.176 -10.980 -7.718 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.152 -10.683 -6.974 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.135 -6.947 -9.017 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.629 -8.860 -8.188 1.00 0.00 H new ATOM 276 N LYS A 18 -1.447 -12.981 -5.437 1.00 0.00 N ATOM 277 CA LYS A 18 -2.155 -14.225 -5.095 1.00 0.00 C ATOM 278 C LYS A 18 -2.579 -14.329 -3.632 1.00 0.00 C ATOM 279 O LYS A 18 -3.429 -15.161 -3.323 1.00 0.00 O ATOM 280 CB LYS A 18 -1.387 -15.481 -5.553 1.00 0.00 C ATOM 281 CG LYS A 18 -0.031 -15.798 -4.892 1.00 0.00 C ATOM 282 CD LYS A 18 -0.058 -16.514 -3.535 1.00 0.00 C ATOM 283 CE LYS A 18 1.366 -16.953 -3.139 1.00 0.00 C ATOM 284 NZ LYS A 18 1.506 -18.421 -3.021 1.00 0.00 N ATOM 0 H LYS A 18 -0.493 -13.120 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.084 -14.175 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.039 -16.341 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.220 -15.394 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.547 -16.410 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.511 -14.860 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.467 -15.851 -2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.714 -17.383 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.074 -16.585 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.632 -16.491 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.483 -18.656 -2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.853 -18.775 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.281 -18.866 -3.934 1.00 0.00 H new ATOM 298 N VAL A 19 -2.031 -13.528 -2.717 1.00 0.00 N ATOM 299 CA VAL A 19 -2.357 -13.651 -1.301 1.00 0.00 C ATOM 300 C VAL A 19 -3.834 -13.335 -1.061 1.00 0.00 C ATOM 301 O VAL A 19 -4.475 -14.041 -0.277 1.00 0.00 O ATOM 302 CB VAL A 19 -1.381 -12.847 -0.420 1.00 0.00 C ATOM 303 CG1 VAL A 19 0.054 -13.355 -0.646 1.00 0.00 C ATOM 304 CG2 VAL A 19 -1.487 -11.329 -0.556 1.00 0.00 C ATOM 0 H VAL A 19 -1.361 -12.790 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.218 -14.687 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.675 -13.029 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.744 -12.786 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.112 -14.411 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.324 -13.229 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.761 -10.853 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.285 -11.041 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.492 -11.008 -0.280 1.00 0.00 H new ATOM 314 N MET A 20 -4.395 -12.337 -1.762 1.00 0.00 N ATOM 315 CA MET A 20 -5.798 -11.948 -1.601 1.00 0.00 C ATOM 316 C MET A 20 -6.777 -12.893 -2.298 1.00 0.00 C ATOM 317 O MET A 20 -7.988 -12.752 -2.126 1.00 0.00 O ATOM 318 CB MET A 20 -6.050 -10.503 -2.070 1.00 0.00 C ATOM 319 CG MET A 20 -5.930 -10.233 -3.575 1.00 0.00 C ATOM 320 SD MET A 20 -7.004 -8.893 -4.176 1.00 0.00 S ATOM 321 CE MET A 20 -6.551 -7.528 -3.066 1.00 0.00 C ATOM 0 H MET A 20 -3.889 -11.782 -2.452 1.00 0.00 H new ATOM 0 HA MET A 20 -5.987 -12.015 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.051 -10.212 -1.752 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.348 -9.850 -1.551 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.894 -9.986 -3.808 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.169 -11.147 -4.118 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.428 -6.911 -2.872 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.176 -7.933 -2.126 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.776 -6.920 -3.534 1.00 0.00 H new ATOM 331 N LEU A 21 -6.275 -13.808 -3.130 1.00 0.00 N ATOM 332 CA LEU A 21 -7.111 -14.675 -3.949 1.00 0.00 C ATOM 333 C LEU A 21 -7.610 -15.874 -3.149 1.00 0.00 C ATOM 334 O LEU A 21 -8.534 -16.550 -3.597 1.00 0.00 O ATOM 335 CB LEU A 21 -6.330 -15.144 -5.190 1.00 0.00 C ATOM 336 CG LEU A 21 -5.850 -14.010 -6.113 1.00 0.00 C ATOM 337 CD1 LEU A 21 -5.208 -14.619 -7.368 1.00 0.00 C ATOM 338 CD2 LEU A 21 -6.972 -13.052 -6.525 1.00 0.00 C ATOM 0 H LEU A 21 -5.275 -13.965 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.981 -14.104 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.464 -15.718 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.962 -15.820 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.125 -13.422 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.866 -13.820 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.359 -15.239 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.942 -15.231 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.568 -12.276 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.745 -13.605 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.403 -12.592 -5.636 1.00 0.00 H new ATOM 350 N ASP A 22 -7.027 -16.146 -1.982 1.00 0.00 N ATOM 351 CA ASP A 22 -7.382 -17.286 -1.155 1.00 0.00 C ATOM 352 C ASP A 22 -8.163 -16.728 0.022 1.00 0.00 C ATOM 353 O ASP A 22 -7.580 -16.180 0.956 1.00 0.00 O ATOM 354 CB ASP A 22 -6.133 -18.059 -0.711 1.00 0.00 C ATOM 355 CG ASP A 22 -5.384 -18.765 -1.843 1.00 0.00 C ATOM 356 OD1 ASP A 22 -6.009 -19.120 -2.867 1.00 0.00 O ATOM 357 OD2 ASP A 22 -4.160 -19.004 -1.706 1.00 0.00 O ATOM 0 H ASP A 22 -6.286 -15.570 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.987 -18.007 -1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.450 -17.367 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.426 -18.801 0.031 1.00 0.00 H new ATOM 362 N HIS A 23 -9.490 -16.829 -0.038 1.00 0.00 N ATOM 363 CA HIS A 23 -10.408 -16.190 0.901 1.00 0.00 C ATOM 364 C HIS A 23 -10.144 -16.566 2.370 1.00 0.00 C ATOM 365 O HIS A 23 -10.502 -15.811 3.272 1.00 0.00 O ATOM 366 CB HIS A 23 -11.846 -16.528 0.479 1.00 0.00 C ATOM 367 CG HIS A 23 -12.906 -15.887 1.333 1.00 0.00 C ATOM 368 ND1 HIS A 23 -13.897 -16.534 2.039 1.00 0.00 N ATOM 369 CD2 HIS A 23 -13.037 -14.546 1.559 1.00 0.00 C ATOM 370 CE1 HIS A 23 -14.607 -15.601 2.692 1.00 0.00 C ATOM 371 NE2 HIS A 23 -14.115 -14.372 2.437 1.00 0.00 N ATOM 0 H HIS A 23 -9.967 -17.371 -0.759 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.246 -15.113 0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.992 -16.217 -0.556 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.977 -17.610 0.508 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.423 -13.764 1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.453 -15.806 3.331 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.460 -13.488 2.810 1.00 0.00 H new ATOM 379 N SER A 24 -9.495 -17.698 2.652 1.00 0.00 N ATOM 380 CA SER A 24 -9.095 -18.087 4.005 1.00 0.00 C ATOM 381 C SER A 24 -7.973 -17.211 4.590 1.00 0.00 C ATOM 382 O SER A 24 -7.827 -17.135 5.812 1.00 0.00 O ATOM 383 CB SER A 24 -8.721 -19.552 4.021 1.00 0.00 C ATOM 384 OG SER A 24 -9.749 -20.323 3.428 1.00 0.00 O ATOM 0 H SER A 24 -9.230 -18.377 1.939 1.00 0.00 H new ATOM 0 HA SER A 24 -9.953 -17.924 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.786 -19.702 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.554 -19.882 5.047 1.00 0.00 H new ATOM 0 HG SER A 24 -9.497 -21.270 3.441 1.00 0.00 H new ATOM 390 N HIS A 25 -7.198 -16.516 3.753 1.00 0.00 N ATOM 391 CA HIS A 25 -6.298 -15.460 4.208 1.00 0.00 C ATOM 392 C HIS A 25 -7.098 -14.194 4.520 1.00 0.00 C ATOM 393 O HIS A 25 -6.692 -13.415 5.375 1.00 0.00 O ATOM 394 CB HIS A 25 -5.229 -15.183 3.145 1.00 0.00 C ATOM 395 CG HIS A 25 -4.430 -16.403 2.740 1.00 0.00 C ATOM 396 ND1 HIS A 25 -3.761 -16.559 1.545 1.00 0.00 N ATOM 397 CD2 HIS A 25 -4.305 -17.577 3.441 1.00 0.00 C ATOM 398 CE1 HIS A 25 -3.255 -17.804 1.521 1.00 0.00 C ATOM 399 NE2 HIS A 25 -3.549 -18.457 2.658 1.00 0.00 N ATOM 0 H HIS A 25 -7.179 -16.671 2.745 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.795 -15.784 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.711 -14.767 2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.545 -14.423 3.522 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -3.667 -15.857 0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.715 -17.784 4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.690 -18.222 0.701 1.00 0.00 H new ATOM 407 N GLY A 26 -8.253 -14.015 3.878 1.00 0.00 N ATOM 408 CA GLY A 26 -9.259 -13.031 4.222 1.00 0.00 C ATOM 409 C GLY A 26 -9.962 -12.504 2.979 1.00 0.00 C ATOM 410 O GLY A 26 -9.615 -12.860 1.853 1.00 0.00 O ATOM 0 H GLY A 26 -8.516 -14.580 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.991 -13.476 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.794 -12.204 4.758 1.00 0.00 H new ATOM 414 N LEU A 27 -10.967 -11.658 3.200 1.00 0.00 N ATOM 415 CA LEU A 27 -11.757 -11.033 2.147 1.00 0.00 C ATOM 416 C LEU A 27 -11.076 -9.782 1.591 1.00 0.00 C ATOM 417 O LEU A 27 -10.550 -8.993 2.374 1.00 0.00 O ATOM 418 CB LEU A 27 -13.115 -10.660 2.746 1.00 0.00 C ATOM 419 CG LEU A 27 -14.113 -10.081 1.730 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.362 -11.057 0.573 1.00 0.00 C ATOM 421 CD2 LEU A 27 -15.431 -9.798 2.449 1.00 0.00 C ATOM 0 H LEU A 27 -11.259 -11.384 4.138 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.868 -11.732 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.553 -11.546 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.961 -9.932 3.543 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.697 -9.164 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.072 -10.617 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.422 -11.259 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.769 -11.989 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.150 -9.386 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.823 -10.725 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.261 -9.081 3.252 1.00 0.00 H new ATOM 433 N ALA A 28 -11.169 -9.562 0.276 1.00 0.00 N ATOM 434 CA ALA A 28 -10.764 -8.347 -0.427 1.00 0.00 C ATOM 435 C ALA A 28 -11.718 -8.070 -1.606 1.00 0.00 C ATOM 436 O ALA A 28 -11.510 -8.576 -2.710 1.00 0.00 O ATOM 437 CB ALA A 28 -9.313 -8.500 -0.894 1.00 0.00 C ATOM 0 H ALA A 28 -11.549 -10.265 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.822 -7.490 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.003 -7.597 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.667 -8.657 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.235 -9.355 -1.565 1.00 0.00 H new ATOM 443 N ALA A 29 -12.769 -7.271 -1.397 1.00 0.00 N ATOM 444 CA ALA A 29 -13.827 -6.993 -2.369 1.00 0.00 C ATOM 445 C ALA A 29 -13.623 -5.609 -2.985 1.00 0.00 C ATOM 446 O ALA A 29 -13.481 -4.630 -2.259 1.00 0.00 O ATOM 447 CB ALA A 29 -15.193 -7.065 -1.682 1.00 0.00 C ATOM 0 H ALA A 29 -12.910 -6.783 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.787 -7.740 -3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.978 -6.857 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.339 -8.062 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.237 -6.327 -0.881 1.00 0.00 H new ATOM 453 N PHE A 30 -13.595 -5.525 -4.313 1.00 0.00 N ATOM 454 CA PHE A 30 -13.313 -4.320 -5.096 1.00 0.00 C ATOM 455 C PHE A 30 -14.407 -3.266 -4.871 1.00 0.00 C ATOM 456 O PHE A 30 -15.505 -3.370 -5.421 1.00 0.00 O ATOM 457 CB PHE A 30 -13.167 -4.702 -6.583 1.00 0.00 C ATOM 458 CG PHE A 30 -12.436 -3.710 -7.481 1.00 0.00 C ATOM 459 CD1 PHE A 30 -12.869 -2.373 -7.627 1.00 0.00 C ATOM 460 CD2 PHE A 30 -11.316 -4.147 -8.217 1.00 0.00 C ATOM 461 CE1 PHE A 30 -12.176 -1.482 -8.471 1.00 0.00 C ATOM 462 CE2 PHE A 30 -10.625 -3.261 -9.060 1.00 0.00 C ATOM 463 CZ PHE A 30 -11.050 -1.930 -9.180 1.00 0.00 C ATOM 0 H PHE A 30 -13.777 -6.336 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.374 -3.875 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.646 -5.658 -6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.165 -4.859 -6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.739 -2.031 -7.087 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.986 -5.172 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.509 -0.460 -8.572 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.766 -3.605 -9.616 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.510 -1.248 -9.820 1.00 0.00 H new ATOM 473 N ARG A 31 -14.109 -2.216 -4.109 1.00 0.00 N ATOM 474 CA ARG A 31 -15.020 -1.126 -3.762 1.00 0.00 C ATOM 475 C ARG A 31 -14.462 0.193 -4.283 1.00 0.00 C ATOM 476 O ARG A 31 -14.135 1.092 -3.513 1.00 0.00 O ATOM 477 CB ARG A 31 -15.215 -1.096 -2.224 1.00 0.00 C ATOM 478 CG ARG A 31 -16.125 -2.168 -1.624 1.00 0.00 C ATOM 479 CD ARG A 31 -17.545 -2.153 -2.172 1.00 0.00 C ATOM 480 NE ARG A 31 -18.376 -3.127 -1.450 1.00 0.00 N ATOM 481 CZ ARG A 31 -19.553 -3.594 -1.871 1.00 0.00 C ATOM 482 NH1 ARG A 31 -20.023 -3.266 -3.075 1.00 0.00 N ATOM 483 NH2 ARG A 31 -20.254 -4.395 -1.083 1.00 0.00 N ATOM 0 H ARG A 31 -13.184 -2.096 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 31 -15.993 -1.283 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.235 -1.181 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.615 -0.119 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.686 -3.148 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.162 -2.035 -0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.971 -1.155 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.535 -2.390 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.025 -3.473 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.482 -2.653 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.924 -3.629 -3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.893 -4.650 -0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.155 -4.757 -1.396 1.00 0.00 H new ATOM 497 N GLY A 32 -14.402 0.324 -5.605 1.00 0.00 N ATOM 498 CA GLY A 32 -14.042 1.577 -6.241 1.00 0.00 C ATOM 499 C GLY A 32 -12.553 1.657 -6.549 1.00 0.00 C ATOM 500 O GLY A 32 -11.796 0.704 -6.345 1.00 0.00 O ATOM 0 H GLY A 32 -14.601 -0.434 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.609 1.690 -7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.322 2.406 -5.591 1.00 0.00 H new ATOM 504 N ARG A 33 -12.128 2.796 -7.093 1.00 0.00 N ATOM 505 CA ARG A 33 -10.729 3.078 -7.426 1.00 0.00 C ATOM 506 C ARG A 33 -10.362 4.456 -6.872 1.00 0.00 C ATOM 507 O ARG A 33 -11.272 5.226 -6.567 1.00 0.00 O ATOM 508 CB ARG A 33 -10.474 2.899 -8.929 1.00 0.00 C ATOM 509 CG ARG A 33 -11.095 4.007 -9.782 1.00 0.00 C ATOM 510 CD ARG A 33 -11.434 3.505 -11.182 1.00 0.00 C ATOM 511 NE ARG A 33 -12.089 4.564 -11.977 1.00 0.00 N ATOM 512 CZ ARG A 33 -13.284 4.500 -12.579 1.00 0.00 C ATOM 513 NH1 ARG A 33 -13.820 3.335 -12.932 1.00 0.00 N ATOM 514 NH2 ARG A 33 -13.973 5.617 -12.769 1.00 0.00 N ATOM 0 H ARG A 33 -12.758 3.566 -7.320 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.062 2.358 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.399 2.871 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.875 1.937 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.998 4.378 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.403 4.846 -9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.525 3.177 -11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.091 2.638 -11.113 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.575 5.439 -12.079 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.320 2.466 -12.745 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.731 3.311 -13.389 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.592 6.511 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.884 5.583 -13.226 1.00 0.00 H new ATOM 528 N GLY A 34 -9.079 4.812 -6.769 1.00 0.00 N ATOM 529 CA GLY A 34 -8.739 6.094 -6.177 1.00 0.00 C ATOM 530 C GLY A 34 -7.298 6.523 -6.288 1.00 0.00 C ATOM 531 O GLY A 34 -6.465 5.847 -6.887 1.00 0.00 O ATOM 0 H GLY A 34 -8.287 4.248 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.360 6.860 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.006 6.064 -5.121 1.00 0.00 H new ATOM 535 N CYS A 35 -7.015 7.687 -5.716 1.00 0.00 N ATOM 536 CA CYS A 35 -5.672 8.218 -5.585 1.00 0.00 C ATOM 537 C CYS A 35 -5.493 8.897 -4.230 1.00 0.00 C ATOM 538 O CYS A 35 -6.417 9.569 -3.769 1.00 0.00 O ATOM 539 CB CYS A 35 -5.378 9.144 -6.763 1.00 0.00 C ATOM 540 SG CYS A 35 -6.308 10.699 -6.824 1.00 0.00 S ATOM 0 H CYS A 35 -7.731 8.298 -5.323 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.943 7.408 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.315 9.383 -6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.571 8.595 -7.685 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.951 11.377 -7.874 1.00 0.00 H new ATOM 546 N THR A 36 -4.362 8.683 -3.558 1.00 0.00 N ATOM 547 CA THR A 36 -4.069 9.347 -2.295 1.00 0.00 C ATOM 548 C THR A 36 -3.863 10.826 -2.629 1.00 0.00 C ATOM 549 O THR A 36 -2.829 11.209 -3.171 1.00 0.00 O ATOM 550 CB THR A 36 -2.860 8.687 -1.605 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.820 8.433 -2.515 1.00 0.00 O ATOM 552 CG2 THR A 36 -3.191 7.321 -0.991 1.00 0.00 C ATOM 0 H THR A 36 -3.629 8.048 -3.874 1.00 0.00 H new ATOM 0 HA THR A 36 -4.881 9.254 -1.574 1.00 0.00 H new ATOM 0 HB THR A 36 -2.571 9.401 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.068 8.016 -2.045 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.299 6.908 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.975 7.439 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.535 6.644 -1.773 1.00 0.00 H new ATOM 560 N VAL A 37 -4.885 11.644 -2.383 1.00 0.00 N ATOM 561 CA VAL A 37 -4.862 13.060 -2.743 1.00 0.00 C ATOM 562 C VAL A 37 -3.864 13.823 -1.890 1.00 0.00 C ATOM 563 O VAL A 37 -3.276 14.811 -2.332 1.00 0.00 O ATOM 564 CB VAL A 37 -6.243 13.696 -2.576 1.00 0.00 C ATOM 565 CG1 VAL A 37 -7.089 13.362 -3.793 1.00 0.00 C ATOM 566 CG2 VAL A 37 -6.980 13.316 -1.284 1.00 0.00 C ATOM 0 H VAL A 37 -5.749 11.345 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.564 13.118 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.080 14.770 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.076 13.811 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.609 13.755 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.190 12.280 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.948 13.816 -1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.128 12.237 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.388 13.626 -0.423 1.00 0.00 H new ATOM 576 N GLU A 38 -3.692 13.375 -0.652 1.00 0.00 N ATOM 577 CA GLU A 38 -2.565 13.761 0.142 1.00 0.00 C ATOM 578 C GLU A 38 -1.356 13.171 -0.550 1.00 0.00 C ATOM 579 O GLU A 38 -1.251 11.950 -0.704 1.00 0.00 O ATOM 580 CB GLU A 38 -2.700 13.219 1.567 1.00 0.00 C ATOM 581 CG GLU A 38 -3.044 14.342 2.540 1.00 0.00 C ATOM 582 CD GLU A 38 -4.528 14.592 2.762 1.00 0.00 C ATOM 583 OE1 GLU A 38 -5.123 15.470 2.090 1.00 0.00 O ATOM 584 OE2 GLU A 38 -5.040 14.066 3.776 1.00 0.00 O ATOM 0 H GLU A 38 -4.336 12.737 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.484 14.844 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.475 12.454 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.768 12.741 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.584 14.117 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.589 15.264 2.177 1.00 0.00 H new ATOM 591 N SER A 39 -0.440 14.038 -0.967 1.00 0.00 N ATOM 592 CA SER A 39 0.839 13.549 -1.408 1.00 0.00 C ATOM 593 C SER A 39 1.512 12.818 -0.254 1.00 0.00 C ATOM 594 O SER A 39 1.181 13.019 0.915 1.00 0.00 O ATOM 595 CB SER A 39 1.663 14.677 -2.011 1.00 0.00 C ATOM 596 OG SER A 39 2.628 15.284 -1.227 1.00 0.00 O ATOM 0 H SER A 39 -0.562 15.050 -1.005 1.00 0.00 H new ATOM 0 HA SER A 39 0.725 12.824 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.157 14.287 -2.901 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.971 15.451 -2.343 1.00 0.00 H new ATOM 0 HG SER A 39 3.171 15.882 -1.781 1.00 0.00 H new ATOM 602 N PHE A 40 2.457 11.966 -0.590 1.00 0.00 N ATOM 603 CA PHE A 40 3.222 11.274 0.438 1.00 0.00 C ATOM 604 C PHE A 40 4.613 11.000 -0.173 1.00 0.00 C ATOM 605 O PHE A 40 4.749 10.918 -1.404 1.00 0.00 O ATOM 606 CB PHE A 40 2.494 9.967 0.786 1.00 0.00 C ATOM 607 CG PHE A 40 1.308 10.019 1.740 1.00 0.00 C ATOM 608 CD1 PHE A 40 1.413 10.501 3.059 1.00 0.00 C ATOM 609 CD2 PHE A 40 0.061 9.546 1.290 1.00 0.00 C ATOM 610 CE1 PHE A 40 0.303 10.433 3.928 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.045 9.490 2.147 1.00 0.00 C ATOM 612 CZ PHE A 40 -0.919 9.898 3.480 1.00 0.00 C ATOM 0 H PHE A 40 2.715 11.735 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 40 3.325 11.854 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.147 9.524 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.229 9.283 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.344 10.923 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.045 9.221 0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.392 10.793 4.942 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.995 9.132 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.753 9.803 4.159 1.00 0.00 H new ATOM 622 N PRO A 41 5.665 10.857 0.644 1.00 0.00 N ATOM 623 CA PRO A 41 7.023 10.540 0.203 1.00 0.00 C ATOM 624 C PRO A 41 7.217 9.041 -0.065 1.00 0.00 C ATOM 625 O PRO A 41 7.560 8.293 0.854 1.00 0.00 O ATOM 626 CB PRO A 41 7.924 10.991 1.353 1.00 0.00 C ATOM 627 CG PRO A 41 7.010 10.906 2.575 1.00 0.00 C ATOM 628 CD PRO A 41 5.645 11.259 2.040 1.00 0.00 C ATOM 0 HA PRO A 41 7.251 11.038 -0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.795 10.345 1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.295 12.004 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.021 9.907 3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.323 11.599 3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.861 10.737 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.448 12.326 2.139 1.00 0.00 H new ATOM 636 N LEU A 42 6.953 8.552 -1.277 1.00 0.00 N ATOM 637 CA LEU A 42 7.064 7.119 -1.566 1.00 0.00 C ATOM 638 C LEU A 42 8.507 6.745 -1.878 1.00 0.00 C ATOM 639 O LEU A 42 8.923 6.814 -3.026 1.00 0.00 O ATOM 640 CB LEU A 42 6.045 6.723 -2.657 1.00 0.00 C ATOM 641 CG LEU A 42 6.281 5.515 -3.602 1.00 0.00 C ATOM 642 CD1 LEU A 42 6.443 4.185 -2.886 1.00 0.00 C ATOM 643 CD2 LEU A 42 5.152 5.355 -4.631 1.00 0.00 C ATOM 0 H LEU A 42 6.662 9.122 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 42 6.803 6.533 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.096 6.546 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.909 7.598 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 42 7.222 5.757 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.604 3.394 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.299 4.236 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.542 3.969 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.361 4.497 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.206 5.199 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.087 6.255 -5.242 1.00 0.00 H new ATOM 655 N VAL A 43 9.307 6.401 -0.874 1.00 0.00 N ATOM 656 CA VAL A 43 10.670 6.031 -0.967 1.00 0.00 C ATOM 657 C VAL A 43 10.786 4.528 -1.100 1.00 0.00 C ATOM 658 O VAL A 43 10.004 3.769 -0.533 1.00 0.00 O ATOM 659 CB VAL A 43 11.286 6.541 0.336 1.00 0.00 C ATOM 660 CG1 VAL A 43 12.717 6.268 0.384 1.00 0.00 C ATOM 661 CG2 VAL A 43 11.115 8.060 0.558 1.00 0.00 C ATOM 0 H VAL A 43 8.970 6.380 0.089 1.00 0.00 H new ATOM 0 HA VAL A 43 11.177 6.448 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 43 10.745 6.006 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 43 13.127 6.642 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.885 5.193 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.210 6.765 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.578 8.344 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.592 8.603 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.054 8.306 0.586 1.00 0.00 H new ATOM 671 N ILE A 44 11.852 4.132 -1.774 1.00 0.00 N ATOM 672 CA ILE A 44 12.266 2.758 -1.999 1.00 0.00 C ATOM 673 C ILE A 44 13.650 2.590 -1.376 1.00 0.00 C ATOM 674 O ILE A 44 14.624 3.205 -1.827 1.00 0.00 O ATOM 675 CB ILE A 44 12.206 2.405 -3.503 1.00 0.00 C ATOM 676 CG1 ILE A 44 10.778 2.650 -4.051 1.00 0.00 C ATOM 677 CG2 ILE A 44 12.645 0.938 -3.658 1.00 0.00 C ATOM 678 CD1 ILE A 44 10.567 2.359 -5.541 1.00 0.00 C ATOM 0 H ILE A 44 12.490 4.802 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 44 11.588 2.051 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 44 12.876 3.040 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.082 2.036 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.513 3.691 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.613 0.658 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.661 0.821 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.972 0.295 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.531 2.567 -5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.229 2.992 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.791 1.311 -5.742 1.00 0.00 H new ATOM 690 N ALA A 45 13.744 1.768 -0.328 1.00 0.00 N ATOM 691 CA ALA A 45 14.956 1.619 0.461 1.00 0.00 C ATOM 692 C ALA A 45 15.239 0.164 0.804 1.00 0.00 C ATOM 693 O ALA A 45 14.330 -0.673 0.885 1.00 0.00 O ATOM 694 CB ALA A 45 14.839 2.440 1.737 1.00 0.00 C ATOM 0 H ALA A 45 12.972 1.185 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 45 15.791 1.981 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.748 2.327 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.700 3.491 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.985 2.091 2.317 1.00 0.00 H new ATOM 700 N GLY A 46 16.510 -0.093 1.104 1.00 0.00 N ATOM 701 CA GLY A 46 17.012 -1.374 1.555 1.00 0.00 C ATOM 702 C GLY A 46 17.196 -2.336 0.371 1.00 0.00 C ATOM 703 O GLY A 46 16.698 -2.082 -0.730 1.00 0.00 O ATOM 0 H GLY A 46 17.240 0.616 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.963 -1.236 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.320 -1.807 2.277 1.00 0.00 H new ATOM 707 N GLU A 47 17.858 -3.472 0.600 1.00 0.00 N ATOM 708 CA GLU A 47 18.312 -4.347 -0.481 1.00 0.00 C ATOM 709 C GLU A 47 17.204 -4.944 -1.327 1.00 0.00 C ATOM 710 O GLU A 47 17.424 -5.248 -2.501 1.00 0.00 O ATOM 711 CB GLU A 47 19.161 -5.494 0.085 1.00 0.00 C ATOM 712 CG GLU A 47 20.389 -5.770 -0.791 1.00 0.00 C ATOM 713 CD GLU A 47 21.638 -5.206 -0.123 1.00 0.00 C ATOM 714 OE1 GLU A 47 22.163 -5.892 0.784 1.00 0.00 O ATOM 715 OE2 GLU A 47 22.008 -4.063 -0.475 1.00 0.00 O ATOM 0 H GLU A 47 18.093 -3.809 1.534 1.00 0.00 H new ATOM 0 HA GLU A 47 18.894 -3.700 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.483 -5.245 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.554 -6.396 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.502 -6.843 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.255 -5.317 -1.774 1.00 0.00 H new ATOM 722 N HIS A 48 16.029 -5.130 -0.741 1.00 0.00 N ATOM 723 CA HIS A 48 15.033 -6.035 -1.283 1.00 0.00 C ATOM 724 C HIS A 48 14.018 -5.277 -2.136 1.00 0.00 C ATOM 725 O HIS A 48 13.069 -5.869 -2.651 1.00 0.00 O ATOM 726 CB HIS A 48 14.358 -6.797 -0.135 1.00 0.00 C ATOM 727 CG HIS A 48 15.239 -7.004 1.075 1.00 0.00 C ATOM 728 ND1 HIS A 48 15.265 -6.234 2.219 1.00 0.00 N ATOM 729 CD2 HIS A 48 16.311 -7.840 1.124 1.00 0.00 C ATOM 730 CE1 HIS A 48 16.326 -6.615 2.948 1.00 0.00 C ATOM 731 NE2 HIS A 48 17.009 -7.575 2.306 1.00 0.00 N ATOM 0 H HIS A 48 15.744 -4.660 0.118 1.00 0.00 H new ATOM 0 HA HIS A 48 15.519 -6.759 -1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 48 13.463 -6.254 0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 48 14.031 -7.770 -0.503 1.00 0.00 H new ATOM 0 HD2 HIS A 48 16.576 -8.578 0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.592 -6.207 3.912 1.00 0.00 H new ATOM 0 HE2 HIS A 48 17.870 -8.024 2.619 1.00 0.00 H new ATOM 739 N ASN A 49 14.233 -3.962 -2.276 1.00 0.00 N ATOM 740 CA ASN A 49 13.463 -3.030 -3.080 1.00 0.00 C ATOM 741 C ASN A 49 12.064 -2.894 -2.463 1.00 0.00 C ATOM 742 O ASN A 49 11.040 -3.133 -3.097 1.00 0.00 O ATOM 743 CB ASN A 49 13.477 -3.433 -4.570 1.00 0.00 C ATOM 744 CG ASN A 49 14.864 -3.830 -5.076 1.00 0.00 C ATOM 745 OD1 ASN A 49 15.640 -2.896 -5.591 1.00 0.00 O flip ATOM 746 ND2 ASN A 49 15.293 -4.972 -4.961 1.00 0.00 N flip ATOM 0 H ASN A 49 15.004 -3.500 -1.794 1.00 0.00 H new ATOM 0 HA ASN A 49 13.916 -2.039 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 49 12.791 -4.266 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.104 -2.601 -5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 49 14.701 -5.702 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.242 -5.193 -5.262 1.00 0.00 H new ATOM 753 N ILE A 50 12.034 -2.457 -1.204 1.00 0.00 N ATOM 754 CA ILE A 50 10.921 -2.419 -0.250 1.00 0.00 C ATOM 755 C ILE A 50 10.415 -0.968 -0.137 1.00 0.00 C ATOM 756 O ILE A 50 11.144 -0.151 0.424 1.00 0.00 O ATOM 757 CB ILE A 50 11.241 -3.067 1.121 1.00 0.00 C ATOM 758 CG1 ILE A 50 11.716 -4.520 0.963 1.00 0.00 C ATOM 759 CG2 ILE A 50 9.982 -3.124 1.991 1.00 0.00 C ATOM 760 CD1 ILE A 50 12.122 -5.233 2.275 1.00 0.00 C ATOM 0 H ILE A 50 12.881 -2.079 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 50 10.118 -3.046 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 50 12.020 -2.455 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.921 -5.095 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.568 -4.534 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.223 -3.582 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.607 -2.114 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.219 -3.717 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.441 -6.251 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.942 -4.691 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.269 -5.260 2.953 1.00 0.00 H new ATOM 772 N PRO A 51 9.425 -0.520 -0.935 1.00 0.00 N ATOM 773 CA PRO A 51 8.834 0.803 -0.732 1.00 0.00 C ATOM 774 C PRO A 51 8.277 0.953 0.697 1.00 0.00 C ATOM 775 O PRO A 51 7.614 0.045 1.213 1.00 0.00 O ATOM 776 CB PRO A 51 7.742 0.937 -1.792 1.00 0.00 C ATOM 777 CG PRO A 51 7.323 -0.496 -2.097 1.00 0.00 C ATOM 778 CD PRO A 51 8.448 -1.387 -1.569 1.00 0.00 C ATOM 0 HA PRO A 51 9.575 1.596 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.902 1.525 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.116 1.439 -2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.376 -0.736 -1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.181 -0.641 -3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.060 -2.114 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.905 -1.951 -2.382 1.00 0.00 H new ATOM 786 N TRP A 52 8.526 2.104 1.323 1.00 0.00 N ATOM 787 CA TRP A 52 8.141 2.440 2.691 1.00 0.00 C ATOM 788 C TRP A 52 7.318 3.712 2.662 1.00 0.00 C ATOM 789 O TRP A 52 7.870 4.770 2.344 1.00 0.00 O ATOM 790 CB TRP A 52 9.379 2.694 3.543 1.00 0.00 C ATOM 791 CG TRP A 52 10.303 1.543 3.704 1.00 0.00 C ATOM 792 CD1 TRP A 52 11.350 1.238 2.911 1.00 0.00 C ATOM 793 CD2 TRP A 52 10.268 0.530 4.736 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.957 0.087 3.377 1.00 0.00 N ATOM 795 CE2 TRP A 52 11.345 -0.378 4.525 1.00 0.00 C ATOM 796 CE3 TRP A 52 9.428 0.317 5.840 1.00 0.00 C ATOM 797 CZ2 TRP A 52 11.581 -1.450 5.398 1.00 0.00 C ATOM 798 CZ3 TRP A 52 9.654 -0.745 6.718 1.00 0.00 C ATOM 799 CH2 TRP A 52 10.730 -1.624 6.501 1.00 0.00 C ATOM 0 H TRP A 52 9.027 2.865 0.865 1.00 0.00 H new ATOM 0 HA TRP A 52 7.573 1.612 3.115 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.935 3.522 3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.055 3.016 4.533 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.665 1.804 2.047 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.756 -0.362 2.930 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.596 0.983 6.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.403 -2.129 5.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.001 -0.892 7.566 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.903 -2.439 7.188 1.00 0.00 H new ATOM 810 N LEU A 53 5.999 3.657 2.852 1.00 0.00 N ATOM 811 CA LEU A 53 5.176 4.861 2.735 1.00 0.00 C ATOM 812 C LEU A 53 5.379 5.689 4.019 1.00 0.00 C ATOM 813 O LEU A 53 4.635 5.565 4.990 1.00 0.00 O ATOM 814 CB LEU A 53 3.700 4.477 2.513 1.00 0.00 C ATOM 815 CG LEU A 53 2.825 5.663 2.069 1.00 0.00 C ATOM 816 CD1 LEU A 53 2.857 5.879 0.554 1.00 0.00 C ATOM 817 CD2 LEU A 53 1.366 5.465 2.497 1.00 0.00 C ATOM 0 H LEU A 53 5.485 2.807 3.084 1.00 0.00 H new ATOM 0 HA LEU A 53 5.471 5.460 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.645 3.691 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.296 4.062 3.437 1.00 0.00 H new ATOM 0 HG LEU A 53 3.245 6.542 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.224 6.727 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.880 6.080 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.490 4.984 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.772 6.318 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.974 4.555 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.313 5.381 3.583 1.00 0.00 H new ATOM 829 N LEU A 54 6.459 6.459 4.091 1.00 0.00 N ATOM 830 CA LEU A 54 6.791 7.398 5.136 1.00 0.00 C ATOM 831 C LEU A 54 5.606 8.330 5.399 1.00 0.00 C ATOM 832 O LEU A 54 5.082 8.942 4.466 1.00 0.00 O ATOM 833 CB LEU A 54 8.029 8.161 4.633 1.00 0.00 C ATOM 834 CG LEU A 54 9.355 7.588 5.086 1.00 0.00 C ATOM 835 CD1 LEU A 54 9.596 6.210 4.517 1.00 0.00 C ATOM 836 CD2 LEU A 54 10.504 8.513 4.673 1.00 0.00 C ATOM 0 H LEU A 54 7.173 6.435 3.363 1.00 0.00 H new ATOM 0 HA LEU A 54 7.007 6.907 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.010 8.178 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.962 9.196 4.969 1.00 0.00 H new ATOM 0 HG LEU A 54 9.316 7.508 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.558 5.835 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.804 5.537 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.601 6.262 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.451 8.088 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.515 8.618 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.365 9.492 5.131 1.00 0.00 H new ATOM 848 N TYR A 55 5.153 8.426 6.654 1.00 0.00 N ATOM 849 CA TYR A 55 3.939 9.176 6.970 1.00 0.00 C ATOM 850 C TYR A 55 4.173 10.688 6.895 1.00 0.00 C ATOM 851 O TYR A 55 4.444 11.307 7.934 1.00 0.00 O ATOM 852 CB TYR A 55 3.311 8.730 8.310 1.00 0.00 C ATOM 853 CG TYR A 55 1.861 9.191 8.512 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.910 9.080 7.472 1.00 0.00 C ATOM 855 CD2 TYR A 55 1.442 9.704 9.757 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.432 9.464 7.664 1.00 0.00 C ATOM 857 CE2 TYR A 55 0.107 10.117 9.946 1.00 0.00 C ATOM 858 CZ TYR A 55 -0.849 9.968 8.916 1.00 0.00 C ATOM 859 OH TYR A 55 -2.168 10.205 9.175 1.00 0.00 O ATOM 0 H TYR A 55 5.607 7.996 7.460 1.00 0.00 H new ATOM 0 HA TYR A 55 3.203 8.939 6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.346 7.642 8.370 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.920 9.114 9.129 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.218 8.693 6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.148 9.781 10.571 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.141 9.373 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.188 10.552 10.889 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.720 9.574 8.667 1.00 0.00 H new ATOM 869 N LEU A 56 4.068 11.298 5.703 1.00 0.00 N ATOM 870 CA LEU A 56 4.170 12.756 5.565 1.00 0.00 C ATOM 871 C LEU A 56 3.090 13.287 4.608 1.00 0.00 C ATOM 872 O LEU A 56 3.375 13.503 3.429 1.00 0.00 O ATOM 873 CB LEU A 56 5.598 13.199 5.169 1.00 0.00 C ATOM 874 CG LEU A 56 6.083 14.496 5.851 1.00 0.00 C ATOM 875 CD1 LEU A 56 5.008 15.573 6.062 1.00 0.00 C ATOM 876 CD2 LEU A 56 6.725 14.186 7.202 1.00 0.00 C ATOM 0 H LEU A 56 3.913 10.804 4.824 1.00 0.00 H new ATOM 0 HA LEU A 56 3.982 13.205 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.293 12.395 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.634 13.337 4.088 1.00 0.00 H new ATOM 0 HG LEU A 56 6.804 14.911 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.453 16.441 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.595 15.869 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.212 15.174 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.060 15.113 7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.995 13.699 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.579 13.524 7.056 1.00 0.00 H new ATOM 888 N PRO A 57 1.844 13.458 5.076 1.00 0.00 N ATOM 889 CA PRO A 57 0.732 13.861 4.228 1.00 0.00 C ATOM 890 C PRO A 57 0.950 15.258 3.641 1.00 0.00 C ATOM 891 O PRO A 57 1.066 16.238 4.378 1.00 0.00 O ATOM 892 CB PRO A 57 -0.518 13.778 5.107 1.00 0.00 C ATOM 893 CG PRO A 57 -0.025 13.727 6.547 1.00 0.00 C ATOM 894 CD PRO A 57 1.408 13.223 6.445 1.00 0.00 C ATOM 0 HA PRO A 57 0.631 13.209 3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.164 14.642 4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.105 12.892 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.067 14.710 7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.638 13.059 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.053 13.747 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.462 12.162 6.691 1.00 0.00 H new ATOM 902 N GLY A 58 0.986 15.357 2.313 1.00 0.00 N ATOM 903 CA GLY A 58 1.142 16.589 1.567 1.00 0.00 C ATOM 904 C GLY A 58 2.598 16.932 1.268 1.00 0.00 C ATOM 905 O GLY A 58 2.858 18.072 0.876 1.00 0.00 O ATOM 0 H GLY A 58 0.903 14.540 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.594 16.509 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.691 17.406 2.130 1.00 0.00 H new ATOM 909 N LYS A 59 3.545 15.994 1.422 1.00 0.00 N ATOM 910 CA LYS A 59 4.883 16.084 0.866 1.00 0.00 C ATOM 911 C LYS A 59 5.131 14.890 -0.026 1.00 0.00 C ATOM 912 O LYS A 59 4.757 13.782 0.320 1.00 0.00 O ATOM 913 CB LYS A 59 5.935 16.053 1.984 1.00 0.00 C ATOM 914 CG LYS A 59 6.267 17.437 2.510 1.00 0.00 C ATOM 915 CD LYS A 59 5.129 18.155 3.232 1.00 0.00 C ATOM 916 CE LYS A 59 5.602 18.705 4.580 1.00 0.00 C ATOM 917 NZ LYS A 59 4.706 19.763 5.076 1.00 0.00 N ATOM 0 H LYS A 59 3.387 15.136 1.951 1.00 0.00 H new ATOM 0 HA LYS A 59 4.960 17.018 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.570 15.434 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.844 15.583 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.113 17.354 3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.592 18.056 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.756 18.970 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.298 17.466 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.649 17.895 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.613 19.101 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.056 20.113 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.681 20.546 4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.747 19.378 5.196 1.00 0.00 H new ATOM 931 N GLY A 60 5.804 15.114 -1.145 1.00 0.00 N ATOM 932 CA GLY A 60 5.957 14.109 -2.193 1.00 0.00 C ATOM 933 C GLY A 60 4.759 14.124 -3.144 1.00 0.00 C ATOM 934 O GLY A 60 4.371 15.204 -3.593 1.00 0.00 O ATOM 0 H GLY A 60 6.262 16.001 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.873 14.298 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.057 13.121 -1.743 1.00 0.00 H new ATOM 938 N HIS A 61 4.187 12.961 -3.482 1.00 0.00 N ATOM 939 CA HIS A 61 3.378 12.755 -4.695 1.00 0.00 C ATOM 940 C HIS A 61 2.176 11.836 -4.450 1.00 0.00 C ATOM 941 O HIS A 61 2.095 11.229 -3.379 1.00 0.00 O ATOM 942 CB HIS A 61 4.272 12.169 -5.790 1.00 0.00 C ATOM 943 CG HIS A 61 5.473 13.018 -6.072 1.00 0.00 C ATOM 944 ND1 HIS A 61 5.444 14.315 -6.524 1.00 0.00 N ATOM 945 CD2 HIS A 61 6.758 12.711 -5.731 1.00 0.00 C ATOM 946 CE1 HIS A 61 6.690 14.801 -6.403 1.00 0.00 C ATOM 947 NE2 HIS A 61 7.525 13.863 -5.920 1.00 0.00 N ATOM 0 H HIS A 61 4.274 12.120 -2.911 1.00 0.00 H new ATOM 0 HA HIS A 61 2.977 13.721 -5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.598 11.173 -5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.691 12.054 -6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.116 11.754 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.982 15.809 -6.659 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.521 13.972 -5.730 1.00 0.00 H new ATOM 955 N CYS A 62 1.246 11.739 -5.413 1.00 0.00 N ATOM 956 CA CYS A 62 -0.084 11.146 -5.231 1.00 0.00 C ATOM 957 C CYS A 62 -0.185 9.748 -5.826 1.00 0.00 C ATOM 958 O CYS A 62 -0.298 9.589 -7.039 1.00 0.00 O ATOM 959 CB CYS A 62 -1.183 12.037 -5.817 1.00 0.00 C ATOM 960 SG CYS A 62 -1.014 13.755 -5.260 1.00 0.00 S ATOM 0 H CYS A 62 1.404 12.079 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.231 11.065 -4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.140 12.001 -6.906 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.160 11.653 -5.523 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.963 14.475 -5.781 1.00 0.00 H new ATOM 966 N VAL A 63 -0.155 8.734 -4.968 1.00 0.00 N ATOM 967 CA VAL A 63 -0.180 7.340 -5.365 1.00 0.00 C ATOM 968 C VAL A 63 -1.555 6.986 -5.920 1.00 0.00 C ATOM 969 O VAL A 63 -2.567 7.029 -5.214 1.00 0.00 O ATOM 970 CB VAL A 63 0.243 6.432 -4.202 1.00 0.00 C ATOM 971 CG1 VAL A 63 0.473 5.001 -4.700 1.00 0.00 C ATOM 972 CG2 VAL A 63 1.533 6.926 -3.535 1.00 0.00 C ATOM 0 H VAL A 63 -0.112 8.866 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 63 0.546 7.176 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.565 6.455 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.772 4.369 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.449 4.615 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.259 5.000 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.799 6.257 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.339 6.941 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.379 7.932 -3.145 1.00 0.00 H new ATOM 982 N THR A 64 -1.612 6.626 -7.200 1.00 0.00 N ATOM 983 CA THR A 64 -2.839 6.096 -7.781 1.00 0.00 C ATOM 984 C THR A 64 -2.983 4.608 -7.421 1.00 0.00 C ATOM 985 O THR A 64 -1.985 3.884 -7.292 1.00 0.00 O ATOM 986 CB THR A 64 -2.876 6.413 -9.285 1.00 0.00 C ATOM 987 OG1 THR A 64 -1.826 5.792 -10.007 1.00 0.00 O ATOM 988 CG2 THR A 64 -2.762 7.922 -9.514 1.00 0.00 C ATOM 0 H THR A 64 -0.828 6.692 -7.849 1.00 0.00 H new ATOM 0 HA THR A 64 -3.720 6.580 -7.361 1.00 0.00 H new ATOM 0 HB THR A 64 -3.828 6.025 -9.647 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.899 6.026 -10.956 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.790 8.131 -10.583 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.594 8.428 -9.024 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.821 8.283 -9.098 1.00 0.00 H new ATOM 996 N GLY A 65 -4.216 4.130 -7.243 1.00 0.00 N ATOM 997 CA GLY A 65 -4.487 2.778 -6.803 1.00 0.00 C ATOM 998 C GLY A 65 -5.965 2.434 -6.900 1.00 0.00 C ATOM 999 O GLY A 65 -6.750 3.124 -7.556 1.00 0.00 O ATOM 0 H GLY A 65 -5.057 4.684 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.911 2.077 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.154 2.658 -5.772 1.00 0.00 H new ATOM 1003 N GLU A 66 -6.341 1.314 -6.297 1.00 0.00 N ATOM 1004 CA GLU A 66 -7.684 0.750 -6.316 1.00 0.00 C ATOM 1005 C GLU A 66 -8.104 0.436 -4.868 1.00 0.00 C ATOM 1006 O GLU A 66 -7.289 0.561 -3.941 1.00 0.00 O ATOM 1007 CB GLU A 66 -7.713 -0.444 -7.302 1.00 0.00 C ATOM 1008 CG GLU A 66 -7.946 0.061 -8.749 1.00 0.00 C ATOM 1009 CD GLU A 66 -7.303 -0.749 -9.890 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -7.038 -1.968 -9.760 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -6.927 -0.128 -10.910 1.00 0.00 O ATOM 0 H GLU A 66 -5.687 0.748 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.432 1.448 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.773 -0.993 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.504 -1.139 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.021 0.097 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.578 1.085 -8.813 1.00 0.00 H new ATOM 1018 N ILE A 67 -9.377 0.109 -4.633 1.00 0.00 N ATOM 1019 CA ILE A 67 -9.931 -0.002 -3.289 1.00 0.00 C ATOM 1020 C ILE A 67 -10.506 -1.395 -3.110 1.00 0.00 C ATOM 1021 O ILE A 67 -11.307 -1.869 -3.913 1.00 0.00 O ATOM 1022 CB ILE A 67 -10.918 1.136 -2.983 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -10.070 2.412 -2.853 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -11.665 0.831 -1.670 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -10.822 3.701 -2.547 1.00 0.00 C ATOM 0 H ILE A 67 -10.051 -0.086 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.143 0.123 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.669 1.251 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.333 2.253 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.519 2.551 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.365 1.638 -1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.212 -0.106 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.947 0.745 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.115 4.528 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.540 3.901 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.350 3.598 -1.599 1.00 0.00 H new ATOM 1037 N TYR A 68 -10.124 -2.024 -2.004 1.00 0.00 N ATOM 1038 CA TYR A 68 -10.662 -3.277 -1.534 1.00 0.00 C ATOM 1039 C TYR A 68 -11.204 -3.049 -0.121 1.00 0.00 C ATOM 1040 O TYR A 68 -10.492 -2.572 0.771 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.609 -4.394 -1.625 1.00 0.00 C ATOM 1042 CG TYR A 68 -9.079 -4.600 -3.040 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -9.867 -5.254 -4.009 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -7.824 -4.079 -3.413 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -9.416 -5.380 -5.338 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -7.365 -4.228 -4.733 1.00 0.00 C ATOM 1047 CZ TYR A 68 -8.151 -4.873 -5.710 1.00 0.00 C ATOM 1048 OH TYR A 68 -7.677 -4.992 -6.985 1.00 0.00 O ATOM 0 H TYR A 68 -9.399 -1.651 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.484 -3.618 -2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.777 -4.156 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.045 -5.327 -1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.827 -5.663 -3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.215 -3.565 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.039 -5.866 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.393 -3.842 -5.004 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.790 -4.580 -7.044 1.00 0.00 H new ATOM 1058 N GLU A 69 -12.494 -3.327 0.054 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.089 -3.614 1.347 1.00 0.00 C ATOM 1060 C GLU A 69 -12.460 -4.902 1.847 1.00 0.00 C ATOM 1061 O GLU A 69 -12.320 -5.855 1.076 1.00 0.00 O ATOM 1062 CB GLU A 69 -14.596 -3.762 1.164 1.00 0.00 C ATOM 1063 CG GLU A 69 -15.369 -4.011 2.460 1.00 0.00 C ATOM 1064 CD GLU A 69 -16.888 -3.962 2.264 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -17.398 -4.023 1.117 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -17.591 -3.963 3.304 1.00 0.00 O ATOM 0 H GLU A 69 -13.163 -3.358 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.915 -2.819 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.983 -2.859 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.787 -4.587 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.090 -4.985 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.078 -3.265 3.200 1.00 0.00 H new ATOM 1073 N VAL A 70 -12.079 -4.929 3.118 1.00 0.00 N ATOM 1074 CA VAL A 70 -11.343 -6.034 3.699 1.00 0.00 C ATOM 1075 C VAL A 70 -11.957 -6.357 5.052 1.00 0.00 C ATOM 1076 O VAL A 70 -12.330 -5.454 5.807 1.00 0.00 O ATOM 1077 CB VAL A 70 -9.836 -5.708 3.766 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.199 -5.658 2.368 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -9.510 -4.394 4.487 1.00 0.00 C ATOM 0 H VAL A 70 -12.276 -4.176 3.777 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.419 -6.925 3.076 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.414 -6.527 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.138 -5.426 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.318 -6.625 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.689 -4.888 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.431 -4.239 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.994 -3.565 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.873 -4.443 5.514 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.088 -7.646 5.362 1.00 0.00 N ATOM 1090 CA ASP A 71 -12.605 -8.047 6.664 1.00 0.00 C ATOM 1091 C ASP A 71 -11.459 -8.258 7.635 1.00 0.00 C ATOM 1092 O ASP A 71 -10.288 -8.054 7.309 1.00 0.00 O ATOM 1093 CB ASP A 71 -13.552 -9.257 6.600 1.00 0.00 C ATOM 1094 CG ASP A 71 -14.981 -8.924 7.028 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -15.161 -8.052 7.916 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -15.914 -9.616 6.564 1.00 0.00 O ATOM 0 H ASP A 71 -11.847 -8.417 4.739 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.225 -7.231 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.566 -9.647 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.163 -10.049 7.239 1.00 0.00 H new ATOM 1101 N GLU A 72 -11.810 -8.642 8.856 1.00 0.00 N ATOM 1102 CA GLU A 72 -10.845 -8.742 9.941 1.00 0.00 C ATOM 1103 C GLU A 72 -9.783 -9.791 9.649 1.00 0.00 C ATOM 1104 O GLU A 72 -8.628 -9.561 9.994 1.00 0.00 O ATOM 1105 CB GLU A 72 -11.524 -8.980 11.301 1.00 0.00 C ATOM 1106 CG GLU A 72 -11.402 -7.690 12.113 1.00 0.00 C ATOM 1107 CD GLU A 72 -12.052 -7.761 13.494 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -11.699 -8.673 14.287 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -12.812 -6.833 13.841 1.00 0.00 O ATOM 0 H GLU A 72 -12.763 -8.891 9.120 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.340 -7.778 10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.572 -9.248 11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.049 -9.809 11.826 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.346 -7.446 12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.856 -6.874 11.550 1.00 0.00 H new ATOM 1116 N GLN A 73 -10.133 -10.896 8.980 1.00 0.00 N ATOM 1117 CA GLN A 73 -9.136 -11.912 8.686 1.00 0.00 C ATOM 1118 C GLN A 73 -8.082 -11.354 7.740 1.00 0.00 C ATOM 1119 O GLN A 73 -6.895 -11.586 7.959 1.00 0.00 O ATOM 1120 CB GLN A 73 -9.788 -13.174 8.111 1.00 0.00 C ATOM 1121 CG GLN A 73 -8.882 -14.406 8.203 1.00 0.00 C ATOM 1122 CD GLN A 73 -8.499 -14.660 9.656 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -9.358 -15.006 10.471 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -7.257 -14.391 10.016 1.00 0.00 N ATOM 0 H GLN A 73 -11.074 -11.100 8.643 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.645 -12.196 9.617 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.718 -13.372 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.050 -12.999 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.395 -15.277 7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.985 -14.254 7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.573 -14.108 9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.982 -14.467 10.995 1.00 0.00 H new ATOM 1133 N MET A 74 -8.523 -10.606 6.722 1.00 0.00 N ATOM 1134 CA MET A 74 -7.628 -10.007 5.748 1.00 0.00 C ATOM 1135 C MET A 74 -6.753 -8.996 6.455 1.00 0.00 C ATOM 1136 O MET A 74 -5.534 -9.054 6.336 1.00 0.00 O ATOM 1137 CB MET A 74 -8.443 -9.349 4.627 1.00 0.00 C ATOM 1138 CG MET A 74 -7.594 -8.496 3.685 1.00 0.00 C ATOM 1139 SD MET A 74 -6.202 -9.342 2.931 1.00 0.00 S ATOM 1140 CE MET A 74 -7.084 -10.728 2.178 1.00 0.00 C ATOM 0 H MET A 74 -9.509 -10.404 6.558 1.00 0.00 H new ATOM 0 HA MET A 74 -6.995 -10.769 5.294 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.946 -10.124 4.050 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.220 -8.726 5.070 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.236 -8.110 2.893 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.219 -7.636 4.239 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.465 -11.173 1.398 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.302 -11.477 2.939 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.017 -10.372 1.741 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.366 -8.070 7.195 1.00 0.00 N ATOM 1151 CA LEU A 75 -6.599 -7.025 7.844 1.00 0.00 C ATOM 1152 C LEU A 75 -5.544 -7.623 8.773 1.00 0.00 C ATOM 1153 O LEU A 75 -4.401 -7.195 8.715 1.00 0.00 O ATOM 1154 CB LEU A 75 -7.527 -6.043 8.572 1.00 0.00 C ATOM 1155 CG LEU A 75 -6.913 -4.631 8.583 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -7.013 -3.932 7.219 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -7.629 -3.746 9.603 1.00 0.00 C ATOM 0 H LEU A 75 -8.373 -8.028 7.353 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.066 -6.457 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.500 -6.020 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.695 -6.381 9.594 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.862 -4.763 8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.565 -2.941 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.484 -4.520 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.061 -3.838 6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.183 -2.751 9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.685 -3.671 9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.531 -4.183 10.597 1.00 0.00 H new ATOM 1169 N ARG A 76 -5.899 -8.639 9.571 1.00 0.00 N ATOM 1170 CA ARG A 76 -4.965 -9.343 10.455 1.00 0.00 C ATOM 1171 C ARG A 76 -3.885 -10.089 9.676 1.00 0.00 C ATOM 1172 O ARG A 76 -2.770 -10.217 10.176 1.00 0.00 O ATOM 1173 CB ARG A 76 -5.712 -10.343 11.348 1.00 0.00 C ATOM 1174 CG ARG A 76 -6.526 -9.660 12.456 1.00 0.00 C ATOM 1175 CD ARG A 76 -7.071 -10.723 13.420 1.00 0.00 C ATOM 1176 NE ARG A 76 -8.489 -10.515 13.768 1.00 0.00 N ATOM 1177 CZ ARG A 76 -9.220 -11.362 14.505 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -8.644 -12.394 15.107 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -10.522 -11.150 14.655 1.00 0.00 N ATOM 0 H ARG A 76 -6.853 -8.998 9.620 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.484 -8.581 11.069 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.380 -10.945 10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.993 -11.026 11.800 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.900 -8.950 12.997 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.349 -9.093 12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.954 -11.708 12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.475 -10.718 14.332 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.944 -9.669 13.424 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.640 -12.546 15.010 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.205 -13.036 15.667 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.962 -10.345 14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.082 -11.792 15.215 1.00 0.00 H new ATOM 1193 N PHE A 77 -4.205 -10.628 8.501 1.00 0.00 N ATOM 1194 CA PHE A 77 -3.234 -11.313 7.663 1.00 0.00 C ATOM 1195 C PHE A 77 -2.199 -10.324 7.129 1.00 0.00 C ATOM 1196 O PHE A 77 -1.001 -10.599 7.203 1.00 0.00 O ATOM 1197 CB PHE A 77 -3.941 -12.069 6.528 1.00 0.00 C ATOM 1198 CG PHE A 77 -2.998 -12.567 5.453 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -2.299 -13.781 5.601 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -2.758 -11.757 4.330 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -1.399 -14.200 4.606 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -1.816 -12.151 3.364 1.00 0.00 C ATOM 1203 CZ PHE A 77 -1.157 -13.387 3.487 1.00 0.00 C ATOM 0 H PHE A 77 -5.145 -10.600 8.107 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.704 -12.050 8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.480 -12.918 6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.684 -11.413 6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.455 -14.390 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.298 -10.830 4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.893 -15.149 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.598 -11.504 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.466 -13.710 2.722 1.00 0.00 H new ATOM 1213 N LEU A 78 -2.640 -9.178 6.598 1.00 0.00 N ATOM 1214 CA LEU A 78 -1.736 -8.122 6.146 1.00 0.00 C ATOM 1215 C LEU A 78 -0.881 -7.630 7.317 1.00 0.00 C ATOM 1216 O LEU A 78 0.300 -7.349 7.130 1.00 0.00 O ATOM 1217 CB LEU A 78 -2.505 -6.942 5.531 1.00 0.00 C ATOM 1218 CG LEU A 78 -3.399 -7.279 4.324 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -4.168 -6.026 3.895 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -2.625 -7.828 3.124 1.00 0.00 C ATOM 0 H LEU A 78 -3.628 -8.960 6.471 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.093 -8.543 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.127 -6.495 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.784 -6.184 5.225 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.078 -8.067 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.802 -6.263 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.788 -5.679 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.462 -5.243 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.319 -8.043 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.896 -7.089 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.109 -8.744 3.412 1.00 0.00 H new ATOM 1232 N ASP A 79 -1.463 -7.604 8.521 1.00 0.00 N ATOM 1233 CA ASP A 79 -0.825 -7.208 9.778 1.00 0.00 C ATOM 1234 C ASP A 79 0.288 -8.152 10.228 1.00 0.00 C ATOM 1235 O ASP A 79 0.967 -7.897 11.222 1.00 0.00 O ATOM 1236 CB ASP A 79 -1.877 -7.106 10.891 1.00 0.00 C ATOM 1237 CG ASP A 79 -1.616 -5.924 11.804 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -1.544 -4.779 11.291 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -1.668 -6.089 13.041 1.00 0.00 O ATOM 0 H ASP A 79 -2.439 -7.872 8.650 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.363 -6.239 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.868 -7.011 10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.877 -8.025 11.477 1.00 0.00 H new ATOM 1244 N ASP A 80 0.450 -9.265 9.519 1.00 0.00 N ATOM 1245 CA ASP A 80 1.486 -10.268 9.708 1.00 0.00 C ATOM 1246 C ASP A 80 2.400 -10.341 8.482 1.00 0.00 C ATOM 1247 O ASP A 80 3.551 -10.755 8.596 1.00 0.00 O ATOM 1248 CB ASP A 80 0.794 -11.612 9.951 1.00 0.00 C ATOM 1249 CG ASP A 80 1.792 -12.762 10.047 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.338 -12.980 11.148 1.00 0.00 O ATOM 1251 OD2 ASP A 80 1.929 -13.540 9.072 1.00 0.00 O ATOM 0 H ASP A 80 -0.178 -9.503 8.751 1.00 0.00 H new ATOM 0 HA ASP A 80 2.113 -10.007 10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.213 -11.559 10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.091 -11.809 9.141 1.00 0.00 H new ATOM 1256 N PHE A 81 1.897 -9.935 7.312 1.00 0.00 N ATOM 1257 CA PHE A 81 2.583 -10.049 6.034 1.00 0.00 C ATOM 1258 C PHE A 81 3.787 -9.115 5.967 1.00 0.00 C ATOM 1259 O PHE A 81 4.830 -9.497 5.443 1.00 0.00 O ATOM 1260 CB PHE A 81 1.601 -9.737 4.891 1.00 0.00 C ATOM 1261 CG PHE A 81 2.089 -10.209 3.536 1.00 0.00 C ATOM 1262 CD1 PHE A 81 2.879 -9.385 2.715 1.00 0.00 C ATOM 1263 CD2 PHE A 81 1.785 -11.511 3.114 1.00 0.00 C ATOM 1264 CE1 PHE A 81 3.360 -9.862 1.484 1.00 0.00 C ATOM 1265 CE2 PHE A 81 2.304 -12.006 1.907 1.00 0.00 C ATOM 1266 CZ PHE A 81 3.078 -11.177 1.080 1.00 0.00 C ATOM 0 H PHE A 81 0.975 -9.507 7.232 1.00 0.00 H new ATOM 0 HA PHE A 81 2.949 -11.070 5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.641 -10.206 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.428 -8.661 4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.117 -8.380 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.148 -12.137 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.947 -9.217 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.107 -13.027 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.455 -11.548 0.138 1.00 0.00 H new ATOM 1276 N GLU A 82 3.638 -7.893 6.475 1.00 0.00 N ATOM 1277 CA GLU A 82 4.615 -6.819 6.318 1.00 0.00 C ATOM 1278 C GLU A 82 5.390 -6.576 7.622 1.00 0.00 C ATOM 1279 O GLU A 82 5.991 -5.517 7.779 1.00 0.00 O ATOM 1280 CB GLU A 82 3.890 -5.530 5.920 1.00 0.00 C ATOM 1281 CG GLU A 82 2.897 -5.583 4.752 1.00 0.00 C ATOM 1282 CD GLU A 82 3.486 -5.884 3.370 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.713 -6.057 3.204 1.00 0.00 O ATOM 1284 OE2 GLU A 82 2.679 -5.925 2.412 1.00 0.00 O ATOM 0 H GLU A 82 2.819 -7.617 7.017 1.00 0.00 H new ATOM 0 HA GLU A 82 5.324 -7.113 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.353 -5.167 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.647 -4.784 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.146 -6.341 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.378 -4.626 4.701 1.00 0.00 H new ATOM 1291 N ASP A 83 5.330 -7.493 8.594 1.00 0.00 N ATOM 1292 CA ASP A 83 6.059 -7.397 9.867 1.00 0.00 C ATOM 1293 C ASP A 83 5.706 -6.119 10.648 1.00 0.00 C ATOM 1294 O ASP A 83 6.489 -5.607 11.448 1.00 0.00 O ATOM 1295 CB ASP A 83 7.576 -7.557 9.656 1.00 0.00 C ATOM 1296 CG ASP A 83 7.933 -8.867 8.952 1.00 0.00 C ATOM 1297 OD1 ASP A 83 7.859 -9.912 9.638 1.00 0.00 O ATOM 1298 OD2 ASP A 83 8.225 -8.847 7.731 1.00 0.00 O ATOM 0 H ASP A 83 4.764 -8.338 8.518 1.00 0.00 H new ATOM 0 HA ASP A 83 5.732 -8.229 10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.948 -6.719 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.080 -7.518 10.622 1.00 0.00 H new ATOM 1303 N CYS A 84 4.518 -5.555 10.433 1.00 0.00 N ATOM 1304 CA CYS A 84 3.976 -4.501 11.280 1.00 0.00 C ATOM 1305 C CYS A 84 3.588 -5.086 12.658 1.00 0.00 C ATOM 1306 O CYS A 84 3.409 -6.295 12.787 1.00 0.00 O ATOM 1307 CB CYS A 84 2.808 -3.793 10.566 1.00 0.00 C ATOM 1308 SG CYS A 84 1.887 -4.867 9.433 1.00 0.00 S ATOM 0 H CYS A 84 3.904 -5.820 9.662 1.00 0.00 H new ATOM 0 HA CYS A 84 4.732 -3.738 11.463 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.122 -3.397 11.315 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.197 -2.941 10.009 1.00 0.00 H new ATOM 0 HG CYS A 84 0.877 -4.213 8.940 1.00 0.00 H new ATOM 1314 N PRO A 85 3.421 -4.257 13.710 1.00 0.00 N ATOM 1315 CA PRO A 85 3.753 -2.841 13.777 1.00 0.00 C ATOM 1316 C PRO A 85 5.272 -2.559 13.805 1.00 0.00 C ATOM 1317 O PRO A 85 5.680 -1.394 13.858 1.00 0.00 O ATOM 1318 CB PRO A 85 3.025 -2.302 15.007 1.00 0.00 C ATOM 1319 CG PRO A 85 3.018 -3.498 15.943 1.00 0.00 C ATOM 1320 CD PRO A 85 2.913 -4.701 15.004 1.00 0.00 C ATOM 0 HA PRO A 85 3.428 -2.331 12.870 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.545 -1.449 15.444 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.015 -1.970 14.766 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.926 -3.539 16.545 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.178 -3.458 16.636 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.495 -5.541 15.382 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.880 -5.040 14.921 1.00 0.00 H new ATOM 1328 N SER A 86 6.119 -3.595 13.844 1.00 0.00 N ATOM 1329 CA SER A 86 7.576 -3.515 13.943 1.00 0.00 C ATOM 1330 C SER A 86 8.163 -2.650 12.822 1.00 0.00 C ATOM 1331 O SER A 86 8.786 -1.624 13.110 1.00 0.00 O ATOM 1332 CB SER A 86 8.179 -4.931 13.970 1.00 0.00 C ATOM 1333 OG SER A 86 7.343 -5.788 14.742 1.00 0.00 O ATOM 0 H SER A 86 5.787 -4.559 13.805 1.00 0.00 H new ATOM 0 HA SER A 86 7.841 -3.024 14.879 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.275 -5.317 12.955 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.182 -4.903 14.396 1.00 0.00 H new ATOM 0 HG SER A 86 7.725 -6.690 14.758 1.00 0.00 H new ATOM 1339 N MET A 87 7.953 -3.047 11.564 1.00 0.00 N ATOM 1340 CA MET A 87 8.463 -2.345 10.392 1.00 0.00 C ATOM 1341 C MET A 87 7.547 -1.161 10.032 1.00 0.00 C ATOM 1342 O MET A 87 7.946 0.010 10.062 1.00 0.00 O ATOM 1343 CB MET A 87 8.586 -3.337 9.220 1.00 0.00 C ATOM 1344 CG MET A 87 9.667 -4.401 9.392 1.00 0.00 C ATOM 1345 SD MET A 87 10.393 -5.029 7.839 1.00 0.00 S ATOM 1346 CE MET A 87 8.947 -5.367 6.795 1.00 0.00 C ATOM 0 H MET A 87 7.414 -3.881 11.332 1.00 0.00 H new ATOM 0 HA MET A 87 9.450 -1.938 10.610 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.626 -3.834 9.081 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.790 -2.776 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.466 -3.988 10.007 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.243 -5.241 9.942 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.236 -5.317 5.745 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.562 -6.362 7.018 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.173 -4.625 6.994 1.00 0.00 H new ATOM 1356 N TYR A 88 6.307 -1.472 9.655 1.00 0.00 N ATOM 1357 CA TYR A 88 5.282 -0.518 9.238 1.00 0.00 C ATOM 1358 C TYR A 88 4.293 -0.307 10.379 1.00 0.00 C ATOM 1359 O TYR A 88 4.315 -1.067 11.339 1.00 0.00 O ATOM 1360 CB TYR A 88 4.551 -1.097 8.031 1.00 0.00 C ATOM 1361 CG TYR A 88 5.389 -1.224 6.782 1.00 0.00 C ATOM 1362 CD1 TYR A 88 6.121 -2.399 6.540 1.00 0.00 C ATOM 1363 CD2 TYR A 88 5.402 -0.184 5.840 1.00 0.00 C ATOM 1364 CE1 TYR A 88 6.913 -2.516 5.387 1.00 0.00 C ATOM 1365 CE2 TYR A 88 6.158 -0.313 4.666 1.00 0.00 C ATOM 1366 CZ TYR A 88 6.940 -1.467 4.447 1.00 0.00 C ATOM 1367 OH TYR A 88 7.717 -1.576 3.342 1.00 0.00 O ATOM 0 H TYR A 88 5.976 -2.437 9.631 1.00 0.00 H new ATOM 0 HA TYR A 88 5.738 0.438 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.167 -2.082 8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.689 -0.468 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 88 6.074 -3.216 7.245 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.830 0.715 6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.500 -3.407 5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.142 0.474 3.927 1.00 0.00 H new ATOM 0 HH TYR A 88 7.373 -0.984 2.641 1.00 0.00 H new ATOM 1377 N GLN A 89 3.394 0.671 10.289 1.00 0.00 N ATOM 1378 CA GLN A 89 2.304 0.896 11.235 1.00 0.00 C ATOM 1379 C GLN A 89 1.024 1.178 10.440 1.00 0.00 C ATOM 1380 O GLN A 89 1.085 1.813 9.387 1.00 0.00 O ATOM 1381 CB GLN A 89 2.641 2.073 12.171 1.00 0.00 C ATOM 1382 CG GLN A 89 3.797 1.798 13.154 1.00 0.00 C ATOM 1383 CD GLN A 89 5.186 2.140 12.600 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.515 3.312 12.384 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.049 1.153 12.415 1.00 0.00 N ATOM 0 H GLN A 89 3.405 1.352 9.529 1.00 0.00 H new ATOM 0 HA GLN A 89 2.159 0.013 11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.896 2.942 11.564 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.750 2.333 12.742 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.629 2.373 14.065 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.779 0.745 13.434 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.768 0.189 12.596 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.995 1.356 12.092 1.00 0.00 H new ATOM 1394 N ARG A 90 -0.137 0.707 10.904 1.00 0.00 N ATOM 1395 CA ARG A 90 -1.425 0.962 10.254 1.00 0.00 C ATOM 1396 C ARG A 90 -1.874 2.367 10.608 1.00 0.00 C ATOM 1397 O ARG A 90 -2.002 2.696 11.784 1.00 0.00 O ATOM 1398 CB ARG A 90 -2.475 -0.069 10.702 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.887 0.195 10.122 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.810 1.139 10.912 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.965 0.688 12.303 1.00 0.00 N ATOM 1402 CZ ARG A 90 -5.777 1.179 13.240 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -6.617 2.175 12.953 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -5.746 0.669 14.463 1.00 0.00 N ATOM 0 H ARG A 90 -0.210 0.135 11.745 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.314 0.871 9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.147 -1.064 10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.532 -0.068 11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.768 0.602 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.394 -0.764 10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.400 2.149 10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.787 1.184 10.430 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.379 -0.097 12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.641 2.566 12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.235 2.545 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.104 -0.093 14.682 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.364 1.039 15.186 1.00 0.00 H new ATOM 1418 N THR A 91 -2.251 3.152 9.612 1.00 0.00 N ATOM 1419 CA THR A 91 -2.623 4.553 9.744 1.00 0.00 C ATOM 1420 C THR A 91 -3.934 4.794 8.995 1.00 0.00 C ATOM 1421 O THR A 91 -4.431 3.900 8.308 1.00 0.00 O ATOM 1422 CB THR A 91 -1.474 5.371 9.138 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.233 4.859 9.589 1.00 0.00 O ATOM 1424 CG2 THR A 91 -1.473 6.849 9.486 1.00 0.00 C ATOM 0 H THR A 91 -2.309 2.818 8.650 1.00 0.00 H new ATOM 0 HA THR A 91 -2.779 4.843 10.783 1.00 0.00 H new ATOM 0 HB THR A 91 -1.621 5.281 8.062 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.240 5.549 10.099 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.622 7.335 9.009 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.397 7.307 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.399 6.968 10.567 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.493 5.999 9.102 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.567 6.509 8.264 1.00 0.00 C ATOM 1434 C ALA A 92 -5.097 7.711 7.431 1.00 0.00 C ATOM 1435 O ALA A 92 -4.225 8.466 7.865 1.00 0.00 O ATOM 1436 CB ALA A 92 -6.709 6.925 9.183 1.00 0.00 C ATOM 0 H ALA A 92 -4.193 6.672 9.807 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.890 5.737 7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.534 7.313 8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.050 6.061 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.362 7.698 9.868 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.706 7.900 6.256 1.00 0.00 N ATOM 1443 CA LEU A 93 -5.384 8.962 5.288 1.00 0.00 C ATOM 1444 C LEU A 93 -6.644 9.562 4.636 1.00 0.00 C ATOM 1445 O LEU A 93 -7.721 9.388 5.196 1.00 0.00 O ATOM 1446 CB LEU A 93 -4.369 8.401 4.280 1.00 0.00 C ATOM 1447 CG LEU A 93 -4.861 7.393 3.211 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -6.178 6.662 3.472 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -4.945 7.999 1.819 1.00 0.00 C ATOM 0 H LEU A 93 -6.465 7.297 5.938 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.927 9.808 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.922 9.246 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.572 7.919 4.847 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.074 6.643 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.393 5.992 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.097 6.084 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.984 7.389 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.295 7.245 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.641 8.838 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.959 8.350 1.515 1.00 0.00 H new ATOM 1461 N GLN A 94 -6.535 10.244 3.487 1.00 0.00 N ATOM 1462 CA GLN A 94 -7.631 10.776 2.676 1.00 0.00 C ATOM 1463 C GLN A 94 -7.364 10.503 1.174 1.00 0.00 C ATOM 1464 O GLN A 94 -6.296 10.853 0.659 1.00 0.00 O ATOM 1465 CB GLN A 94 -7.723 12.286 2.959 1.00 0.00 C ATOM 1466 CG GLN A 94 -8.988 12.980 2.456 1.00 0.00 C ATOM 1467 CD GLN A 94 -10.151 12.730 3.414 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -11.138 11.961 3.009 1.00 0.00 O flip ATOM 1469 NE2 GLN A 94 -10.143 13.231 4.536 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.624 10.449 3.078 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.574 10.292 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.650 12.440 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.859 12.775 2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.810 14.051 2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.242 12.611 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.365 13.824 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.915 13.054 5.179 1.00 0.00 H new ATOM 1478 N VAL A 95 -8.291 9.835 0.471 1.00 0.00 N ATOM 1479 CA VAL A 95 -8.100 9.273 -0.885 1.00 0.00 C ATOM 1480 C VAL A 95 -9.258 9.424 -1.863 1.00 0.00 C ATOM 1481 O VAL A 95 -10.310 8.836 -1.651 1.00 0.00 O ATOM 1482 CB VAL A 95 -7.567 7.843 -0.765 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -8.161 6.943 0.281 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -7.402 7.050 -2.070 1.00 0.00 C ATOM 0 H VAL A 95 -9.227 9.663 0.838 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.354 9.901 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.578 8.125 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.678 5.967 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.008 7.381 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.229 6.827 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.018 6.055 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.368 6.962 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.703 7.569 -2.725 1.00 0.00 H new ATOM 1494 N GLN A 96 -9.030 10.171 -2.951 1.00 0.00 N ATOM 1495 CA GLN A 96 -10.039 10.526 -3.951 1.00 0.00 C ATOM 1496 C GLN A 96 -10.694 9.260 -4.471 1.00 0.00 C ATOM 1497 O GLN A 96 -10.009 8.373 -4.977 1.00 0.00 O ATOM 1498 CB GLN A 96 -9.510 11.361 -5.128 1.00 0.00 C ATOM 1499 CG GLN A 96 -10.641 11.743 -6.101 1.00 0.00 C ATOM 1500 CD GLN A 96 -10.218 12.643 -7.259 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -11.142 13.417 -7.789 1.00 0.00 O flip ATOM 1502 NE2 GLN A 96 -9.082 12.620 -7.725 1.00 0.00 N flip ATOM 0 H GLN A 96 -8.110 10.555 -3.164 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.760 11.165 -3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.033 12.265 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.745 10.797 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.073 10.829 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.429 12.245 -5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.372 12.018 -7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.848 13.203 -8.528 1.00 0.00 H new ATOM 1511 N VAL A 97 -12.007 9.175 -4.339 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.899 8.148 -4.828 1.00 0.00 C ATOM 1513 C VAL A 97 -13.071 8.399 -6.323 1.00 0.00 C ATOM 1514 O VAL A 97 -13.956 9.131 -6.761 1.00 0.00 O ATOM 1515 CB VAL A 97 -14.194 8.251 -3.993 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -15.239 7.247 -4.444 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -13.943 7.982 -2.498 1.00 0.00 C ATOM 0 H VAL A 97 -12.522 9.898 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.536 7.126 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.548 9.271 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.134 7.353 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.491 7.429 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.843 6.237 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.882 8.065 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -13.537 6.978 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -13.232 8.712 -2.111 1.00 0.00 H new ATOM 1527 N LEU A 98 -12.183 7.812 -7.124 1.00 0.00 N ATOM 1528 CA LEU A 98 -12.229 7.911 -8.577 1.00 0.00 C ATOM 1529 C LEU A 98 -13.330 7.017 -9.170 1.00 0.00 C ATOM 1530 O LEU A 98 -13.651 7.160 -10.352 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.870 7.552 -9.199 1.00 0.00 C ATOM 1532 CG LEU A 98 -10.035 8.806 -9.526 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -9.162 9.182 -8.335 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -9.140 8.576 -10.737 1.00 0.00 C ATOM 0 H LEU A 98 -11.406 7.250 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.463 8.948 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.314 6.915 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.029 6.975 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.732 9.614 -9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.577 10.069 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.794 9.390 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.489 8.357 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.565 9.479 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.459 7.750 -10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.755 8.334 -11.604 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.855 6.070 -8.389 1.00 0.00 N ATOM 1547 CA GLU A 99 -15.124 5.362 -8.559 1.00 0.00 C ATOM 1548 C GLU A 99 -15.486 4.775 -7.189 1.00 0.00 C ATOM 1549 O GLU A 99 -14.578 4.577 -6.377 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.952 4.216 -9.566 1.00 0.00 C ATOM 1551 CG GLU A 99 -16.260 3.632 -10.125 1.00 0.00 C ATOM 1552 CD GLU A 99 -16.509 3.920 -11.611 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -16.569 5.105 -12.013 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -16.575 2.950 -12.405 1.00 0.00 O ATOM 0 H GLU A 99 -13.363 5.754 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.899 6.034 -8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.348 4.574 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.391 3.414 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.253 2.552 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -17.095 4.029 -9.547 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.749 4.408 -6.956 1.00 0.00 N ATOM 1562 CA TRP A 100 -17.230 3.738 -5.753 1.00 0.00 C ATOM 1563 C TRP A 100 -18.316 2.732 -6.126 1.00 0.00 C ATOM 1564 O TRP A 100 -19.458 3.122 -6.382 1.00 0.00 O ATOM 1565 CB TRP A 100 -17.739 4.766 -4.742 1.00 0.00 C ATOM 1566 CG TRP A 100 -18.113 4.181 -3.422 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -19.364 3.849 -3.038 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -17.225 3.714 -2.365 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -19.305 3.174 -1.840 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -18.013 3.017 -1.411 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -15.826 3.669 -2.192 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -17.447 2.282 -0.368 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -15.246 2.941 -1.140 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -16.052 2.230 -0.236 1.00 0.00 C ATOM 0 H TRP A 100 -17.493 4.579 -7.632 1.00 0.00 H new ATOM 0 HA TRP A 100 -16.409 3.195 -5.284 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -16.969 5.522 -4.588 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -18.607 5.275 -5.162 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -20.267 4.077 -3.584 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -20.122 2.833 -1.334 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -15.189 4.204 -2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -18.079 1.757 0.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -14.172 2.928 -1.025 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -15.601 1.648 0.554 1.00 0.00 H new ATOM 1585 N GLU A 101 -17.962 1.448 -6.166 1.00 0.00 N ATOM 1586 CA GLU A 101 -18.856 0.362 -6.538 1.00 0.00 C ATOM 1587 C GLU A 101 -19.471 -0.260 -5.286 1.00 0.00 C ATOM 1588 O GLU A 101 -19.065 -1.336 -4.837 1.00 0.00 O ATOM 1589 CB GLU A 101 -18.096 -0.689 -7.373 1.00 0.00 C ATOM 1590 CG GLU A 101 -17.425 -0.135 -8.635 1.00 0.00 C ATOM 1591 CD GLU A 101 -18.399 0.625 -9.551 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -18.612 1.837 -9.360 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -18.985 0.029 -10.481 1.00 0.00 O ATOM 0 H GLU A 101 -17.021 1.131 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.666 0.755 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.334 -1.152 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.792 -1.477 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.613 0.532 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.978 -0.958 -9.193 1.00 0.00 H new ATOM 1600 N GLY A 102 -20.468 0.406 -4.715 1.00 0.00 N ATOM 1601 CA GLY A 102 -21.240 -0.096 -3.598 1.00 0.00 C ATOM 1602 C GLY A 102 -21.980 1.013 -2.889 1.00 0.00 C ATOM 1603 O GLY A 102 -21.902 2.189 -3.244 1.00 0.00 O ATOM 0 H GLY A 102 -20.764 1.331 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.953 -0.840 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.577 -0.600 -2.894 1.00 0.00 H new ATOM 1607 N ASP A 103 -22.726 0.623 -1.867 1.00 0.00 N ATOM 1608 CA ASP A 103 -23.306 1.566 -0.928 1.00 0.00 C ATOM 1609 C ASP A 103 -22.173 2.165 -0.078 1.00 0.00 C ATOM 1610 O ASP A 103 -21.051 1.645 -0.088 1.00 0.00 O ATOM 1611 CB ASP A 103 -24.327 0.806 -0.078 1.00 0.00 C ATOM 1612 CG ASP A 103 -25.393 1.669 0.596 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -25.181 2.875 0.854 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -26.484 1.119 0.874 1.00 0.00 O ATOM 0 H ASP A 103 -22.945 -0.353 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 103 -23.816 2.389 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -24.825 0.071 -0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -23.792 0.252 0.693 1.00 0.00 H new ATOM 1619 N GLY A 104 -22.440 3.219 0.685 1.00 0.00 N ATOM 1620 CA GLY A 104 -21.485 3.766 1.636 1.00 0.00 C ATOM 1621 C GLY A 104 -20.475 4.681 0.955 1.00 0.00 C ATOM 1622 O GLY A 104 -19.274 4.452 1.037 1.00 0.00 O ATOM 0 H GLY A 104 -23.329 3.719 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -22.017 4.322 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -20.960 2.951 2.135 1.00 0.00 H new ATOM 1626 N ASP A 105 -20.950 5.802 0.427 1.00 0.00 N ATOM 1627 CA ASP A 105 -20.269 6.733 -0.473 1.00 0.00 C ATOM 1628 C ASP A 105 -19.785 7.953 0.338 1.00 0.00 C ATOM 1629 O ASP A 105 -20.598 8.800 0.737 1.00 0.00 O ATOM 1630 CB ASP A 105 -21.173 7.218 -1.606 1.00 0.00 C ATOM 1631 CG ASP A 105 -20.572 8.449 -2.284 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -19.397 8.415 -2.701 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -21.258 9.496 -2.324 1.00 0.00 O ATOM 0 H ASP A 105 -21.900 6.112 0.632 1.00 0.00 H new ATOM 0 HA ASP A 105 -19.431 6.201 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -21.307 6.422 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.161 7.458 -1.213 1.00 0.00 H new ATOM 1638 N PRO A 106 -18.553 7.884 0.871 1.00 0.00 N ATOM 1639 CA PRO A 106 -18.006 8.760 1.905 1.00 0.00 C ATOM 1640 C PRO A 106 -17.760 10.210 1.447 1.00 0.00 C ATOM 1641 O PRO A 106 -17.179 10.987 2.212 1.00 0.00 O ATOM 1642 CB PRO A 106 -16.691 8.081 2.295 1.00 0.00 C ATOM 1643 CG PRO A 106 -16.184 7.574 0.947 1.00 0.00 C ATOM 1644 CD PRO A 106 -17.459 7.168 0.222 1.00 0.00 C ATOM 0 HA PRO A 106 -18.713 8.872 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -15.993 8.779 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.846 7.268 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -15.642 8.348 0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.503 6.731 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -17.402 7.424 -0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -17.612 6.090 0.281 1.00 0.00 H new ATOM 1652 N GLY A 107 -18.141 10.587 0.227 1.00 0.00 N ATOM 1653 CA GLY A 107 -17.761 11.842 -0.394 1.00 0.00 C ATOM 1654 C GLY A 107 -16.593 11.590 -1.346 1.00 0.00 C ATOM 1655 O GLY A 107 -16.202 10.442 -1.574 1.00 0.00 O ATOM 0 H GLY A 107 -18.737 10.010 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -18.606 12.264 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -17.477 12.568 0.367 1.00 0.00 H new ATOM 1659 N ASP A 108 -16.049 12.667 -1.913 1.00 0.00 N ATOM 1660 CA ASP A 108 -15.091 12.591 -3.019 1.00 0.00 C ATOM 1661 C ASP A 108 -13.766 11.939 -2.646 1.00 0.00 C ATOM 1662 O ASP A 108 -13.036 11.573 -3.555 1.00 0.00 O ATOM 1663 CB ASP A 108 -14.793 13.993 -3.563 1.00 0.00 C ATOM 1664 CG ASP A 108 -13.956 13.972 -4.848 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -14.486 13.627 -5.929 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -12.792 14.431 -4.833 1.00 0.00 O ATOM 0 H ASP A 108 -16.260 13.620 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.570 11.963 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.733 14.509 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.265 14.568 -2.802 1.00 0.00 H new ATOM 1671 N SER A 109 -13.425 11.749 -1.368 1.00 0.00 N ATOM 1672 CA SER A 109 -12.219 11.036 -0.950 1.00 0.00 C ATOM 1673 C SER A 109 -12.506 10.123 0.247 1.00 0.00 C ATOM 1674 O SER A 109 -13.596 10.267 0.806 1.00 0.00 O ATOM 1675 CB SER A 109 -11.111 12.055 -0.699 1.00 0.00 C ATOM 1676 OG SER A 109 -11.478 12.999 0.281 1.00 0.00 O ATOM 0 H SER A 109 -13.986 12.090 -0.588 1.00 0.00 H new ATOM 0 HA SER A 109 -11.877 10.366 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.206 11.537 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.874 12.571 -1.630 1.00 0.00 H new ATOM 0 HG SER A 109 -11.427 12.586 1.168 1.00 0.00 H new ATOM 1682 N VAL A 110 -11.606 9.207 0.672 1.00 0.00 N ATOM 1683 CA VAL A 110 -12.025 8.285 1.721 1.00 0.00 C ATOM 1684 C VAL A 110 -10.969 8.175 2.788 1.00 0.00 C ATOM 1685 O VAL A 110 -9.776 8.263 2.497 1.00 0.00 O ATOM 1686 CB VAL A 110 -12.539 6.951 1.131 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -11.506 6.100 0.376 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -13.193 6.096 2.225 1.00 0.00 C ATOM 0 H VAL A 110 -10.653 9.097 0.327 1.00 0.00 H new ATOM 0 HA VAL A 110 -12.895 8.687 2.240 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.262 7.262 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.982 5.191 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.112 6.669 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.690 5.836 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -13.549 5.161 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -12.462 5.880 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -14.034 6.639 2.657 1.00 0.00 H new ATOM 1698 N GLN A 111 -11.417 8.021 4.032 1.00 0.00 N ATOM 1699 CA GLN A 111 -10.562 7.730 5.151 1.00 0.00 C ATOM 1700 C GLN A 111 -10.519 6.217 5.280 1.00 0.00 C ATOM 1701 O GLN A 111 -11.292 5.618 6.026 1.00 0.00 O ATOM 1702 CB GLN A 111 -11.066 8.493 6.378 1.00 0.00 C ATOM 1703 CG GLN A 111 -10.088 8.445 7.555 1.00 0.00 C ATOM 1704 CD GLN A 111 -10.417 7.321 8.534 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -11.264 7.474 9.407 1.00 0.00 O ATOM 1706 NE2 GLN A 111 -9.787 6.160 8.444 1.00 0.00 N ATOM 0 H GLN A 111 -12.403 8.099 4.282 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.534 8.069 5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -11.246 9.533 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.023 8.076 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.074 8.310 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -10.108 9.400 8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.080 6.018 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.009 5.408 9.096 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.624 5.599 4.511 1.00 0.00 N ATOM 1716 CA CYS A 112 -9.392 4.154 4.592 1.00 0.00 C ATOM 1717 C CYS A 112 -8.300 3.900 5.645 1.00 0.00 C ATOM 1718 O CYS A 112 -7.916 4.824 6.376 1.00 0.00 O ATOM 1719 CB CYS A 112 -9.057 3.596 3.196 1.00 0.00 C ATOM 1720 SG CYS A 112 -7.336 3.678 2.728 1.00 0.00 S ATOM 0 H CYS A 112 -9.044 6.077 3.821 1.00 0.00 H new ATOM 0 HA CYS A 112 -10.286 3.621 4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -9.378 2.555 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -9.643 4.141 2.456 1.00 0.00 H new ATOM 0 HG CYS A 112 -6.695 2.676 3.253 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.759 2.677 5.700 1.00 0.00 N ATOM 1727 CA PHE A 113 -6.466 2.417 6.334 1.00 0.00 C ATOM 1728 C PHE A 113 -5.391 2.070 5.325 1.00 0.00 C ATOM 1729 O PHE A 113 -5.645 1.590 4.220 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.569 1.353 7.431 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.649 1.649 8.443 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.597 2.826 9.212 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.750 0.784 8.544 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.650 3.157 10.078 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -9.807 1.107 9.415 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.763 2.299 10.167 1.00 0.00 C ATOM 0 H PHE A 113 -8.203 1.847 5.308 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.165 3.349 6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.765 0.384 6.972 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.610 1.274 7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.740 3.479 9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.786 -0.122 7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.607 4.060 10.670 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.653 0.441 9.508 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.588 2.555 10.815 1.00 0.00 H new ATOM 1746 N VAL A 114 -4.177 2.404 5.723 1.00 0.00 N ATOM 1747 CA VAL A 114 -3.000 2.516 4.897 1.00 0.00 C ATOM 1748 C VAL A 114 -1.838 2.217 5.834 1.00 0.00 C ATOM 1749 O VAL A 114 -1.694 2.874 6.866 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.939 3.928 4.259 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -3.685 3.951 2.917 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -3.357 5.046 5.224 1.00 0.00 C ATOM 0 H VAL A 114 -3.979 2.618 6.701 1.00 0.00 H new ATOM 0 HA VAL A 114 -2.985 1.825 4.054 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.894 4.147 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.630 4.951 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.227 3.236 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.729 3.682 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.292 6.008 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.382 4.878 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.694 5.047 6.089 1.00 0.00 H new ATOM 1762 N TYR A 115 -1.061 1.179 5.551 1.00 0.00 N ATOM 1763 CA TYR A 115 0.206 0.974 6.230 1.00 0.00 C ATOM 1764 C TYR A 115 1.191 2.072 5.838 1.00 0.00 C ATOM 1765 O TYR A 115 1.379 2.352 4.648 1.00 0.00 O ATOM 1766 CB TYR A 115 0.738 -0.416 5.911 1.00 0.00 C ATOM 1767 CG TYR A 115 -0.054 -1.490 6.629 1.00 0.00 C ATOM 1768 CD1 TYR A 115 0.090 -1.631 8.023 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -0.895 -2.365 5.917 1.00 0.00 C ATOM 1770 CE1 TYR A 115 -0.572 -2.660 8.707 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.579 -3.386 6.597 1.00 0.00 C ATOM 1772 CZ TYR A 115 -1.398 -3.549 7.989 1.00 0.00 C ATOM 1773 OH TYR A 115 -2.097 -4.504 8.650 1.00 0.00 O ATOM 0 H TYR A 115 -1.288 0.468 4.856 1.00 0.00 H new ATOM 0 HA TYR A 115 0.065 1.035 7.309 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.693 -0.586 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.787 -0.481 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.716 -0.941 8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.014 -2.252 4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.450 -2.771 9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.242 -4.045 6.057 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.996 -4.374 9.616 1.00 0.00 H new ATOM 1783 N THR A 116 1.809 2.705 6.826 1.00 0.00 N ATOM 1784 CA THR A 116 2.826 3.735 6.673 1.00 0.00 C ATOM 1785 C THR A 116 4.028 3.308 7.518 1.00 0.00 C ATOM 1786 O THR A 116 4.064 2.186 8.030 1.00 0.00 O ATOM 1787 CB THR A 116 2.253 5.126 7.048 1.00 0.00 C ATOM 1788 OG1 THR A 116 2.133 5.297 8.454 1.00 0.00 O ATOM 1789 CG2 THR A 116 0.890 5.389 6.394 1.00 0.00 C ATOM 0 H THR A 116 1.604 2.503 7.805 1.00 0.00 H new ATOM 0 HA THR A 116 3.151 3.838 5.638 1.00 0.00 H new ATOM 0 HB THR A 116 2.973 5.849 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.301 4.882 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.530 6.375 6.687 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.993 5.347 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.178 4.631 6.720 1.00 0.00 H new ATOM 1797 N THR A 117 5.016 4.172 7.710 1.00 0.00 N ATOM 1798 CA THR A 117 5.968 3.991 8.789 1.00 0.00 C ATOM 1799 C THR A 117 6.342 5.365 9.334 1.00 0.00 C ATOM 1800 O THR A 117 6.391 6.354 8.589 1.00 0.00 O ATOM 1801 CB THR A 117 7.159 3.140 8.305 1.00 0.00 C ATOM 1802 OG1 THR A 117 8.047 2.894 9.377 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.921 3.781 7.137 1.00 0.00 C ATOM 0 H THR A 117 5.176 4.999 7.135 1.00 0.00 H new ATOM 0 HA THR A 117 5.540 3.429 9.619 1.00 0.00 H new ATOM 0 HB THR A 117 6.744 2.202 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.008 1.946 9.623 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.747 3.134 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.246 3.915 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 117 8.312 4.750 7.446 1.00 0.00 H new ATOM 1811 N ALA A 118 6.613 5.410 10.640 1.00 0.00 N ATOM 1812 CA ALA A 118 7.166 6.558 11.337 1.00 0.00 C ATOM 1813 C ALA A 118 8.630 6.322 11.752 1.00 0.00 C ATOM 1814 O ALA A 118 9.302 7.273 12.151 1.00 0.00 O ATOM 1815 CB ALA A 118 6.281 6.887 12.542 1.00 0.00 C ATOM 0 H ALA A 118 6.445 4.616 11.258 1.00 0.00 H new ATOM 0 HA ALA A 118 7.176 7.413 10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 118 6.691 7.748 13.070 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.272 7.117 12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.250 6.030 13.215 1.00 0.00 H new ATOM 1821 N THR A 119 9.146 5.091 11.634 1.00 0.00 N ATOM 1822 CA THR A 119 10.467 4.690 12.129 1.00 0.00 C ATOM 1823 C THR A 119 11.525 4.688 11.008 1.00 0.00 C ATOM 1824 O THR A 119 12.536 3.991 11.091 1.00 0.00 O ATOM 1825 CB THR A 119 10.329 3.374 12.936 1.00 0.00 C ATOM 1826 OG1 THR A 119 11.549 2.958 13.514 1.00 0.00 O ATOM 1827 CG2 THR A 119 9.753 2.196 12.145 1.00 0.00 C ATOM 0 H THR A 119 8.643 4.329 11.180 1.00 0.00 H new ATOM 0 HA THR A 119 10.856 5.431 12.827 1.00 0.00 H new ATOM 0 HB THR A 119 9.614 3.640 13.715 1.00 0.00 H new ATOM 0 HG1 THR A 119 12.287 3.160 12.902 1.00 0.00 H new ATOM 0 HG21 THR A 119 9.693 1.319 12.790 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.756 2.451 11.786 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.399 1.978 11.295 1.00 0.00 H new ATOM 1835 N TYR A 120 11.311 5.490 9.964 1.00 0.00 N ATOM 1836 CA TYR A 120 12.236 5.660 8.850 1.00 0.00 C ATOM 1837 C TYR A 120 13.591 6.200 9.327 1.00 0.00 C ATOM 1838 O TYR A 120 13.641 7.022 10.250 1.00 0.00 O ATOM 1839 CB TYR A 120 11.591 6.597 7.819 1.00 0.00 C ATOM 1840 CG TYR A 120 10.937 7.841 8.407 1.00 0.00 C ATOM 1841 CD1 TYR A 120 11.697 8.995 8.667 1.00 0.00 C ATOM 1842 CD2 TYR A 120 9.562 7.834 8.712 1.00 0.00 C ATOM 1843 CE1 TYR A 120 11.094 10.125 9.257 1.00 0.00 C ATOM 1844 CE2 TYR A 120 8.946 8.974 9.256 1.00 0.00 C ATOM 1845 CZ TYR A 120 9.713 10.123 9.551 1.00 0.00 C ATOM 1846 OH TYR A 120 9.110 11.253 10.018 1.00 0.00 O ATOM 0 H TYR A 120 10.466 6.053 9.870 1.00 0.00 H new ATOM 0 HA TYR A 120 12.432 4.692 8.388 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.353 6.908 7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.840 6.038 7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 120 12.747 9.016 8.414 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.976 6.946 8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 120 11.691 10.996 9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.883 8.972 9.449 1.00 0.00 H new ATOM 0 HH TYR A 120 8.157 11.078 10.167 1.00 0.00 H new ATOM 1856 N ALA A 121 14.673 5.782 8.663 1.00 0.00 N ATOM 1857 CA ALA A 121 16.029 6.286 8.873 1.00 0.00 C ATOM 1858 C ALA A 121 16.134 7.755 8.437 1.00 0.00 C ATOM 1859 O ALA A 121 15.366 8.168 7.563 1.00 0.00 O ATOM 1860 CB ALA A 121 16.992 5.430 8.044 1.00 0.00 C ATOM 0 H ALA A 121 14.625 5.061 7.943 1.00 0.00 H new ATOM 0 HA ALA A 121 16.281 6.228 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 121 18.012 5.789 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 121 16.925 4.391 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 121 16.726 5.501 6.989 1.00 0.00 H new ATOM 1866 N PRO A 122 17.078 8.553 8.969 1.00 0.00 N ATOM 1867 CA PRO A 122 17.184 9.956 8.595 1.00 0.00 C ATOM 1868 C PRO A 122 17.661 10.150 7.155 1.00 0.00 C ATOM 1869 O PRO A 122 17.198 11.063 6.474 1.00 0.00 O ATOM 1870 CB PRO A 122 18.108 10.598 9.628 1.00 0.00 C ATOM 1871 CG PRO A 122 18.958 9.438 10.142 1.00 0.00 C ATOM 1872 CD PRO A 122 18.015 8.236 10.037 1.00 0.00 C ATOM 0 HA PRO A 122 16.207 10.438 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.726 11.377 9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 122 17.541 11.064 10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 122 19.855 9.299 9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 122 19.286 9.604 11.168 1.00 0.00 H new ATOM 0 HD2 PRO A 122 18.569 7.324 9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 122 17.491 8.067 10.978 1.00 0.00 H new ATOM 1880 N GLU A 123 18.525 9.272 6.646 1.00 0.00 N ATOM 1881 CA GLU A 123 18.919 9.269 5.240 1.00 0.00 C ATOM 1882 C GLU A 123 17.723 9.097 4.292 1.00 0.00 C ATOM 1883 O GLU A 123 17.764 9.550 3.146 1.00 0.00 O ATOM 1884 CB GLU A 123 19.989 8.216 4.937 1.00 0.00 C ATOM 1885 CG GLU A 123 19.791 6.873 5.655 1.00 0.00 C ATOM 1886 CD GLU A 123 20.634 6.883 6.921 1.00 0.00 C ATOM 1887 OE1 GLU A 123 21.845 6.588 6.814 1.00 0.00 O ATOM 1888 OE2 GLU A 123 20.140 7.380 7.948 1.00 0.00 O ATOM 0 H GLU A 123 18.972 8.541 7.200 1.00 0.00 H new ATOM 0 HA GLU A 123 19.351 10.253 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 123 20.009 8.038 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.964 8.619 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.739 6.724 5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 123 20.088 6.048 5.007 1.00 0.00 H new ATOM 1895 N TRP A 124 16.633 8.481 4.747 1.00 0.00 N ATOM 1896 CA TRP A 124 15.502 8.202 3.880 1.00 0.00 C ATOM 1897 C TRP A 124 14.597 9.421 3.679 1.00 0.00 C ATOM 1898 O TRP A 124 13.677 9.354 2.869 1.00 0.00 O ATOM 1899 CB TRP A 124 14.733 6.999 4.420 1.00 0.00 C ATOM 1900 CG TRP A 124 15.448 5.675 4.420 1.00 0.00 C ATOM 1901 CD1 TRP A 124 16.733 5.398 4.090 1.00 0.00 C ATOM 1902 CD2 TRP A 124 14.858 4.395 4.747 1.00 0.00 C ATOM 1903 NE1 TRP A 124 16.967 4.040 4.220 1.00 0.00 N ATOM 1904 CE2 TRP A 124 15.851 3.376 4.690 1.00 0.00 C ATOM 1905 CE3 TRP A 124 13.537 4.017 5.028 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 15.550 2.031 4.969 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 13.223 2.681 5.336 1.00 0.00 C ATOM 1908 CH2 TRP A 124 14.232 1.695 5.330 1.00 0.00 C ATOM 0 H TRP A 124 16.514 8.168 5.711 1.00 0.00 H new ATOM 0 HA TRP A 124 15.884 7.960 2.888 1.00 0.00 H new ATOM 0 HB2 TRP A 124 14.432 7.221 5.444 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.819 6.891 3.835 1.00 0.00 H new ATOM 0 HD1 TRP A 124 17.464 6.127 3.773 1.00 0.00 H new ATOM 0 HE1 TRP A 124 17.853 3.586 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 124 12.753 4.759 5.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 16.315 1.271 4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 12.206 2.409 5.578 1.00 0.00 H new ATOM 0 HH2 TRP A 124 13.992 0.678 5.604 1.00 0.00 H new ATOM 1919 N LEU A 125 14.847 10.547 4.359 1.00 0.00 N ATOM 1920 CA LEU A 125 14.174 11.799 4.018 1.00 0.00 C ATOM 1921 C LEU A 125 14.727 12.348 2.701 1.00 0.00 C ATOM 1922 O LEU A 125 13.988 12.991 1.952 1.00 0.00 O ATOM 1923 CB LEU A 125 14.351 12.857 5.126 1.00 0.00 C ATOM 1924 CG LEU A 125 13.478 12.710 6.385 1.00 0.00 C ATOM 1925 CD1 LEU A 125 11.974 12.760 6.087 1.00 0.00 C ATOM 1926 CD2 LEU A 125 13.803 11.448 7.177 1.00 0.00 C ATOM 0 H LEU A 125 15.502 10.614 5.138 1.00 0.00 H new ATOM 0 HA LEU A 125 13.110 11.585 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.396 12.849 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.155 13.837 4.692 1.00 0.00 H new ATOM 0 HG LEU A 125 13.726 13.578 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.415 12.651 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.726 13.716 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.711 11.949 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.159 11.393 8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.637 10.572 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.846 11.475 7.493 1.00 0.00 H new ATOM 1938 N PHE A 126 16.022 12.143 2.441 1.00 0.00 N ATOM 1939 CA PHE A 126 16.706 12.645 1.251 1.00 0.00 C ATOM 1940 C PHE A 126 16.471 11.732 0.045 1.00 0.00 C ATOM 1941 O PHE A 126 16.624 12.192 -1.087 1.00 0.00 O ATOM 1942 CB PHE A 126 18.217 12.761 1.500 1.00 0.00 C ATOM 1943 CG PHE A 126 18.655 13.423 2.799 1.00 0.00 C ATOM 1944 CD1 PHE A 126 18.774 12.646 3.958 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.014 14.778 2.859 1.00 0.00 C ATOM 1946 CE1 PHE A 126 19.305 13.162 5.146 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.509 15.326 4.059 1.00 0.00 C ATOM 1948 CZ PHE A 126 19.680 14.516 5.197 1.00 0.00 C ATOM 0 H PHE A 126 16.632 11.614 3.064 1.00 0.00 H new ATOM 0 HA PHE A 126 16.293 13.631 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.643 11.758 1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 126 18.655 13.318 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 126 18.446 11.617 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 126 18.911 15.402 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 126 19.425 12.528 6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 126 19.759 16.376 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 126 20.096 14.931 6.103 1.00 0.00 H new ATOM 1958 N LEU A 127 16.115 10.462 0.282 1.00 0.00 N ATOM 1959 CA LEU A 127 15.798 9.493 -0.764 1.00 0.00 C ATOM 1960 C LEU A 127 14.677 10.033 -1.663 1.00 0.00 C ATOM 1961 O LEU A 127 13.805 10.758 -1.172 1.00 0.00 O ATOM 1962 CB LEU A 127 15.339 8.160 -0.141 1.00 0.00 C ATOM 1963 CG LEU A 127 16.420 7.169 0.334 1.00 0.00 C ATOM 1964 CD1 LEU A 127 15.746 5.892 0.862 1.00 0.00 C ATOM 1965 CD2 LEU A 127 17.380 6.748 -0.779 1.00 0.00 C ATOM 0 H LEU A 127 16.039 10.077 1.224 1.00 0.00 H new ATOM 0 HA LEU A 127 16.697 9.326 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.702 8.393 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 127 14.715 7.647 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 127 16.990 7.685 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 127 16.509 5.190 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.092 6.144 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.158 5.435 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 127 18.116 6.050 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 127 16.820 6.265 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 127 17.890 7.628 -1.172 1.00 0.00 H new ATOM 1977 N PRO A 128 14.652 9.664 -2.956 1.00 0.00 N ATOM 1978 CA PRO A 128 13.615 10.115 -3.868 1.00 0.00 C ATOM 1979 C PRO A 128 12.266 9.499 -3.507 1.00 0.00 C ATOM 1980 O PRO A 128 12.185 8.426 -2.904 1.00 0.00 O ATOM 1981 CB PRO A 128 14.061 9.681 -5.263 1.00 0.00 C ATOM 1982 CG PRO A 128 14.893 8.438 -4.970 1.00 0.00 C ATOM 1983 CD PRO A 128 15.578 8.783 -3.649 1.00 0.00 C ATOM 0 HA PRO A 128 13.483 11.196 -3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 128 13.212 9.458 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 128 14.647 10.454 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 128 14.270 7.548 -4.881 1.00 0.00 H new ATOM 0 HG3 PRO A 128 15.617 8.242 -5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 128 15.780 7.886 -3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 128 16.536 9.274 -3.819 1.00 0.00 H new ATOM 1991 N TYR A 129 11.216 10.183 -3.934 1.00 0.00 N ATOM 1992 CA TYR A 129 9.829 9.771 -3.859 1.00 0.00 C ATOM 1993 C TYR A 129 9.418 9.291 -5.249 1.00 0.00 C ATOM 1994 O TYR A 129 10.079 9.585 -6.248 1.00 0.00 O ATOM 1995 CB TYR A 129 8.996 10.964 -3.371 1.00 0.00 C ATOM 1996 CG TYR A 129 9.516 11.665 -2.122 1.00 0.00 C ATOM 1997 CD1 TYR A 129 10.221 10.944 -1.145 1.00 0.00 C ATOM 1998 CD2 TYR A 129 9.390 13.060 -1.988 1.00 0.00 C ATOM 1999 CE1 TYR A 129 10.871 11.606 -0.086 1.00 0.00 C ATOM 2000 CE2 TYR A 129 9.982 13.728 -0.901 1.00 0.00 C ATOM 2001 CZ TYR A 129 10.766 13.011 0.033 1.00 0.00 C ATOM 2002 OH TYR A 129 11.432 13.679 1.020 1.00 0.00 O ATOM 0 H TYR A 129 11.320 11.099 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 129 9.670 8.954 -3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 129 8.935 11.695 -4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.981 10.619 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 129 10.265 9.867 -1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.835 13.622 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 129 11.448 11.043 0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 129 9.838 14.791 -0.779 1.00 0.00 H new ATOM 0 HH TYR A 129 12.296 13.245 1.183 1.00 0.00 H new ATOM 2012 N HIS A 130 8.316 8.555 -5.317 1.00 0.00 N ATOM 2013 CA HIS A 130 7.695 8.128 -6.563 1.00 0.00 C ATOM 2014 C HIS A 130 6.183 8.419 -6.472 1.00 0.00 C ATOM 2015 O HIS A 130 5.711 8.911 -5.448 1.00 0.00 O ATOM 2016 CB HIS A 130 8.024 6.647 -6.872 1.00 0.00 C ATOM 2017 CG HIS A 130 9.488 6.218 -6.915 1.00 0.00 C ATOM 2018 ND1 HIS A 130 10.058 5.541 -7.977 1.00 0.00 N ATOM 2019 CD2 HIS A 130 10.452 6.300 -5.929 1.00 0.00 C ATOM 2020 CE1 HIS A 130 11.334 5.268 -7.663 1.00 0.00 C ATOM 2021 NE2 HIS A 130 11.624 5.720 -6.434 1.00 0.00 N ATOM 0 H HIS A 130 7.818 8.231 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 130 8.098 8.688 -7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.521 6.033 -6.125 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.579 6.403 -7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.326 6.732 -4.947 1.00 0.00 H new ATOM 0 HE1 HIS A 130 12.030 4.756 -8.310 1.00 0.00 H new ATOM 0 HE2 HIS A 130 12.524 5.654 -5.958 1.00 0.00 H new ATOM 2029 N GLU A 131 5.418 8.142 -7.533 1.00 0.00 N ATOM 2030 CA GLU A 131 4.013 8.562 -7.705 1.00 0.00 C ATOM 2031 C GLU A 131 3.091 7.389 -8.057 1.00 0.00 C ATOM 2032 O GLU A 131 1.872 7.483 -7.976 1.00 0.00 O ATOM 2033 CB GLU A 131 3.991 9.575 -8.850 1.00 0.00 C ATOM 2034 CG GLU A 131 2.736 10.483 -8.928 1.00 0.00 C ATOM 2035 CD GLU A 131 2.326 10.858 -10.356 1.00 0.00 C ATOM 2036 OE1 GLU A 131 3.112 10.591 -11.299 1.00 0.00 O ATOM 2037 OE2 GLU A 131 1.249 11.473 -10.544 1.00 0.00 O ATOM 0 H GLU A 131 5.766 7.602 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 131 3.648 8.983 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 131 4.871 10.212 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 131 4.082 9.032 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 131 1.902 9.975 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 131 2.925 11.396 -8.364 1.00 0.00 H new ATOM 2044 N SER A 132 3.657 6.256 -8.449 1.00 0.00 N ATOM 2045 CA SER A 132 2.947 4.982 -8.477 1.00 0.00 C ATOM 2046 C SER A 132 3.945 3.828 -8.356 1.00 0.00 C ATOM 2047 O SER A 132 5.162 4.062 -8.353 1.00 0.00 O ATOM 2048 CB SER A 132 2.028 4.899 -9.712 1.00 0.00 C ATOM 2049 OG SER A 132 2.609 5.379 -10.913 1.00 0.00 O ATOM 0 H SER A 132 4.627 6.193 -8.758 1.00 0.00 H new ATOM 0 HA SER A 132 2.283 4.902 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.730 3.861 -9.858 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.119 5.466 -9.511 1.00 0.00 H new ATOM 0 HG SER A 132 1.965 5.290 -11.646 1.00 0.00 H new ATOM 2055 N TYR A 133 3.446 2.592 -8.240 1.00 0.00 N ATOM 2056 CA TYR A 133 4.267 1.398 -8.072 1.00 0.00 C ATOM 2057 C TYR A 133 4.034 0.404 -9.190 1.00 0.00 C ATOM 2058 O TYR A 133 2.880 0.153 -9.544 1.00 0.00 O ATOM 2059 CB TYR A 133 3.974 0.718 -6.737 1.00 0.00 C ATOM 2060 CG TYR A 133 5.046 -0.256 -6.290 1.00 0.00 C ATOM 2061 CD1 TYR A 133 6.395 0.146 -6.291 1.00 0.00 C ATOM 2062 CD2 TYR A 133 4.706 -1.543 -5.828 1.00 0.00 C ATOM 2063 CE1 TYR A 133 7.396 -0.735 -5.871 1.00 0.00 C ATOM 2064 CE2 TYR A 133 5.707 -2.417 -5.366 1.00 0.00 C ATOM 2065 CZ TYR A 133 7.060 -2.021 -5.396 1.00 0.00 C ATOM 2066 OH TYR A 133 8.018 -2.856 -4.919 1.00 0.00 O ATOM 0 H TYR A 133 2.445 2.395 -8.261 1.00 0.00 H new ATOM 0 HA TYR A 133 5.307 1.723 -8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 133 3.851 1.483 -5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 133 3.025 0.188 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 133 6.658 1.141 -6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 133 3.673 -1.860 -5.829 1.00 0.00 H new ATOM 0 HE1 TYR A 133 8.431 -0.430 -5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 133 5.439 -3.392 -4.988 1.00 0.00 H new ATOM 0 HH TYR A 133 7.631 -3.439 -4.233 1.00 0.00 H new ATOM 2076 N ASP A 134 5.120 -0.167 -9.711 1.00 0.00 N ATOM 2077 CA ASP A 134 5.095 -1.163 -10.784 1.00 0.00 C ATOM 2078 C ASP A 134 6.443 -1.900 -10.846 1.00 0.00 C ATOM 2079 O ASP A 134 7.492 -1.249 -10.882 1.00 0.00 O ATOM 2080 CB ASP A 134 4.813 -0.444 -12.113 1.00 0.00 C ATOM 2081 CG ASP A 134 4.343 -1.379 -13.220 1.00 0.00 C ATOM 2082 OD1 ASP A 134 5.029 -2.383 -13.523 1.00 0.00 O ATOM 2083 OD2 ASP A 134 3.273 -1.139 -13.814 1.00 0.00 O ATOM 0 H ASP A 134 6.063 0.055 -9.392 1.00 0.00 H new ATOM 0 HA ASP A 134 4.313 -1.899 -10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.055 0.322 -11.949 1.00 0.00 H new ATOM 0 HB3 ASP A 134 5.718 0.068 -12.440 1.00 0.00 H new ATOM 2088 N SER A 135 6.438 -3.239 -10.842 1.00 0.00 N ATOM 2089 CA SER A 135 7.629 -4.092 -10.956 1.00 0.00 C ATOM 2090 C SER A 135 8.200 -4.177 -12.378 1.00 0.00 C ATOM 2091 O SER A 135 9.216 -4.839 -12.597 1.00 0.00 O ATOM 2092 CB SER A 135 7.299 -5.512 -10.495 1.00 0.00 C ATOM 2093 OG SER A 135 6.846 -5.542 -9.157 1.00 0.00 O ATOM 0 H SER A 135 5.576 -3.777 -10.756 1.00 0.00 H new ATOM 0 HA SER A 135 8.385 -3.626 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 135 6.535 -5.936 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 135 8.185 -6.140 -10.592 1.00 0.00 H new ATOM 0 HG SER A 135 6.797 -6.471 -8.849 1.00 0.00 H new ATOM 2099 N GLU A 136 7.589 -3.504 -13.348 1.00 0.00 N ATOM 2100 CA GLU A 136 8.071 -3.363 -14.714 1.00 0.00 C ATOM 2101 C GLU A 136 8.140 -1.873 -15.076 1.00 0.00 C ATOM 2102 O GLU A 136 8.059 -1.508 -16.252 1.00 0.00 O ATOM 2103 CB GLU A 136 7.201 -4.190 -15.675 1.00 0.00 C ATOM 2104 CG GLU A 136 7.254 -5.697 -15.373 1.00 0.00 C ATOM 2105 CD GLU A 136 6.853 -6.547 -16.582 1.00 0.00 C ATOM 2106 OE1 GLU A 136 7.596 -6.524 -17.590 1.00 0.00 O ATOM 2107 OE2 GLU A 136 5.835 -7.275 -16.527 1.00 0.00 O ATOM 0 H GLU A 136 6.704 -3.021 -13.194 1.00 0.00 H new ATOM 0 HA GLU A 136 9.081 -3.761 -14.806 1.00 0.00 H new ATOM 0 HB2 GLU A 136 6.168 -3.847 -15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 136 7.532 -4.017 -16.699 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.263 -5.967 -15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 136 6.590 -5.921 -14.538 1.00 0.00 H new ATOM 2114 N GLY A 137 8.230 -0.992 -14.073 1.00 0.00 N ATOM 2115 CA GLY A 137 8.350 0.439 -14.293 1.00 0.00 C ATOM 2116 C GLY A 137 9.784 0.833 -14.652 1.00 0.00 C ATOM 2117 O GLY A 137 10.727 0.076 -14.388 1.00 0.00 O ATOM 0 H GLY A 137 8.221 -1.259 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 137 7.677 0.743 -15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 137 8.039 0.973 -13.396 1.00 0.00 H new ATOM 2121 N PRO A 138 9.979 2.055 -15.184 1.00 0.00 N ATOM 2122 CA PRO A 138 11.285 2.550 -15.619 1.00 0.00 C ATOM 2123 C PRO A 138 12.310 2.611 -14.478 1.00 0.00 C ATOM 2124 O PRO A 138 13.514 2.592 -14.736 1.00 0.00 O ATOM 2125 CB PRO A 138 11.024 3.917 -16.260 1.00 0.00 C ATOM 2126 CG PRO A 138 9.704 4.371 -15.637 1.00 0.00 C ATOM 2127 CD PRO A 138 8.951 3.060 -15.423 1.00 0.00 C ATOM 0 HA PRO A 138 11.740 1.867 -16.336 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.829 4.619 -16.045 1.00 0.00 H new ATOM 0 HB3 PRO A 138 10.948 3.841 -17.345 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.863 4.902 -14.698 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.158 5.046 -16.296 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.269 3.133 -14.576 1.00 0.00 H new ATOM 0 HD3 PRO A 138 8.349 2.806 -16.296 1.00 0.00 H new ATOM 2135 N HIS A 139 11.836 2.587 -13.232 1.00 0.00 N ATOM 2136 CA HIS A 139 12.587 2.752 -11.997 1.00 0.00 C ATOM 2137 C HIS A 139 13.718 1.741 -11.773 1.00 0.00 C ATOM 2138 O HIS A 139 14.570 1.994 -10.929 1.00 0.00 O ATOM 2139 CB HIS A 139 11.622 2.715 -10.806 1.00 0.00 C ATOM 2140 CG HIS A 139 10.276 3.337 -11.079 1.00 0.00 C ATOM 2141 ND1 HIS A 139 9.996 4.667 -11.323 1.00 0.00 N ATOM 2142 CD2 HIS A 139 9.126 2.627 -11.269 1.00 0.00 C ATOM 2143 CE1 HIS A 139 8.688 4.754 -11.622 1.00 0.00 C ATOM 2144 NE2 HIS A 139 8.116 3.539 -11.581 1.00 0.00 N ATOM 0 H HIS A 139 10.843 2.441 -13.051 1.00 0.00 H new ATOM 0 HA HIS A 139 13.082 3.719 -12.087 1.00 0.00 H new ATOM 0 HB2 HIS A 139 11.476 1.678 -10.504 1.00 0.00 H new ATOM 0 HB3 HIS A 139 12.083 3.230 -9.963 1.00 0.00 H new ATOM 0 HD2 HIS A 139 9.017 1.555 -11.192 1.00 0.00 H new ATOM 0 HE1 HIS A 139 8.170 5.671 -11.861 1.00 0.00 H new ATOM 0 HE2 HIS A 139 7.133 3.324 -11.746 1.00 0.00 H new ATOM 2152 N GLY A 140 13.746 0.605 -12.480 1.00 0.00 N ATOM 2153 CA GLY A 140 14.858 -0.349 -12.415 1.00 0.00 C ATOM 2154 C GLY A 140 14.806 -1.263 -11.188 1.00 0.00 C ATOM 2155 O GLY A 140 14.861 -2.479 -11.351 1.00 0.00 O ATOM 0 H GLY A 140 12.998 0.322 -13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 140 14.853 -0.963 -13.316 1.00 0.00 H new ATOM 0 HA3 GLY A 140 15.799 0.201 -12.409 1.00 0.00 H new ATOM 2159 N LEU A 141 14.652 -0.699 -9.991 1.00 0.00 N ATOM 2160 CA LEU A 141 14.592 -1.413 -8.719 1.00 0.00 C ATOM 2161 C LEU A 141 13.236 -2.103 -8.561 1.00 0.00 C ATOM 2162 O LEU A 141 12.223 -1.419 -8.413 1.00 0.00 O ATOM 2163 CB LEU A 141 14.925 -0.484 -7.525 1.00 0.00 C ATOM 2164 CG LEU A 141 14.700 1.039 -7.642 1.00 0.00 C ATOM 2165 CD1 LEU A 141 13.230 1.423 -7.808 1.00 0.00 C ATOM 2166 CD2 LEU A 141 15.242 1.725 -6.382 1.00 0.00 C ATOM 0 H LEU A 141 14.562 0.311 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 141 15.358 -2.188 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 141 14.343 -0.832 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 141 15.976 -0.638 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 141 15.226 1.366 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 141 13.143 2.507 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 141 12.834 0.963 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 141 12.663 1.073 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 141 15.086 2.801 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 141 14.718 1.343 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.308 1.519 -6.285 1.00 0.00 H new ATOM 2178 N ARG A 142 13.184 -3.440 -8.606 1.00 0.00 N ATOM 2179 CA ARG A 142 11.933 -4.216 -8.531 1.00 0.00 C ATOM 2180 C ARG A 142 11.941 -5.102 -7.277 1.00 0.00 C ATOM 2181 O ARG A 142 13.021 -5.515 -6.865 1.00 0.00 O ATOM 2182 CB ARG A 142 11.721 -5.061 -9.808 1.00 0.00 C ATOM 2183 CG ARG A 142 12.243 -4.486 -11.143 1.00 0.00 C ATOM 2184 CD ARG A 142 11.665 -3.116 -11.561 1.00 0.00 C ATOM 2185 NE ARG A 142 12.256 -2.586 -12.810 1.00 0.00 N ATOM 2186 CZ ARG A 142 12.209 -3.098 -14.050 1.00 0.00 C ATOM 2187 NH1 ARG A 142 11.493 -4.183 -14.324 1.00 0.00 N ATOM 2188 NH2 ARG A 142 12.885 -2.520 -15.035 1.00 0.00 N ATOM 0 H ARG A 142 14.016 -4.023 -8.696 1.00 0.00 H new ATOM 0 HA ARG A 142 11.097 -3.520 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 142 12.195 -6.030 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.652 -5.243 -9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 142 13.327 -4.396 -11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 142 12.029 -5.205 -11.934 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.586 -3.209 -11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.830 -2.399 -10.757 1.00 0.00 H new ATOM 0 HE ARG A 142 12.770 -1.710 -12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 142 10.964 -4.645 -13.584 1.00 0.00 H new ATOM 0 HH12 ARG A 142 11.472 -4.554 -15.274 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.441 -1.685 -14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.848 -2.910 -15.977 1.00 0.00 H new ATOM 2202 N TYR A 143 10.786 -5.400 -6.668 1.00 0.00 N ATOM 2203 CA TYR A 143 10.698 -6.168 -5.419 1.00 0.00 C ATOM 2204 C TYR A 143 11.248 -7.574 -5.626 1.00 0.00 C ATOM 2205 O TYR A 143 10.883 -8.229 -6.609 1.00 0.00 O ATOM 2206 CB TYR A 143 9.252 -6.280 -4.915 1.00 0.00 C ATOM 2207 CG TYR A 143 9.089 -6.929 -3.546 1.00 0.00 C ATOM 2208 CD1 TYR A 143 9.880 -6.556 -2.443 1.00 0.00 C ATOM 2209 CD2 TYR A 143 8.097 -7.904 -3.366 1.00 0.00 C ATOM 2210 CE1 TYR A 143 9.684 -7.162 -1.190 1.00 0.00 C ATOM 2211 CE2 TYR A 143 7.827 -8.445 -2.097 1.00 0.00 C ATOM 2212 CZ TYR A 143 8.606 -8.048 -0.991 1.00 0.00 C ATOM 2213 OH TYR A 143 8.267 -8.454 0.263 1.00 0.00 O ATOM 0 H TYR A 143 9.878 -5.112 -7.032 1.00 0.00 H new ATOM 0 HA TYR A 143 11.288 -5.633 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 143 8.819 -5.281 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.675 -6.852 -5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 143 10.642 -5.800 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 143 7.530 -8.246 -4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 143 10.362 -6.948 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 143 7.028 -9.160 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 143 7.500 -9.062 0.214 1.00 0.00 H new ATOM 2223 N ASN A 144 12.063 -8.053 -4.682 1.00 0.00 N ATOM 2224 CA ASN A 144 12.738 -9.345 -4.770 1.00 0.00 C ATOM 2225 C ASN A 144 12.562 -10.142 -3.472 1.00 0.00 C ATOM 2226 O ASN A 144 13.471 -10.198 -2.640 1.00 0.00 O ATOM 2227 CB ASN A 144 14.204 -9.120 -5.174 1.00 0.00 C ATOM 2228 CG ASN A 144 14.324 -9.102 -6.693 1.00 0.00 C ATOM 2229 OD1 ASN A 144 14.284 -10.149 -7.335 1.00 0.00 O ATOM 2230 ND2 ASN A 144 14.416 -7.931 -7.296 1.00 0.00 N ATOM 0 H ASN A 144 12.274 -7.544 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 144 12.284 -9.961 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 144 14.564 -8.178 -4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 144 14.830 -9.910 -4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 144 14.455 -7.883 -8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 144 14.448 -7.074 -6.744 1.00 0.00 H new