USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=32 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 91 THR OG1 : rot 95:sc= 1.14 USER MOD Set 1.2: A 116 THR OG1 : rot 111:sc= 0.998 USER MOD Set 2.1: A 89 GLN : amide:sc= 0.378 K(o=0.93,f=-3.9!) USER MOD Set 2.2: A 117 THR OG1 : rot 73:sc= 0.338 USER MOD Set 2.3: A 119 THR OG1 : rot 180:sc= 0.211 USER MOD Set 3.1: A 7 TYR OH : rot -35:sc= 1.75 USER MOD Set 3.2: A 9 THR OG1 : rot -172:sc= 1.42 USER MOD Single : A 3 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.14) USER MOD Single : A 14 GLN : amide:sc= -0.649 K(o=-0.65,f=-3.6!) USER MOD Single : A 16 ASN : amide:sc= 0.545 K(o=0.55,f=-0.62) USER MOD Single : A 17 HIS : no HE2:sc= -0.0936 X(o=-0.094,f=-0.073) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc=-0.00493 (180deg=-0.00493) USER MOD Single : A 23 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.635 USER MOD Single : A 36 THR OG1 : rot 134:sc= -0.496 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 48 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.9!) USER MOD Single : A 49 ASN : amide:sc= 0.883 K(o=0.88,f=-0.35) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.13) 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 -54:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.21) USER MOD Single : A 74 MET CE :methyl -176:sc= -2.65! (180deg=-2.76!) USER MOD Single : A 84 CYS SG : rot 179:sc= -2.83! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -179:sc= -0.309 (180deg=-0.319) USER MOD Single : A 88 TYR OH : rot 1:sc= 0.0844 USER MOD Single : A 94 GLN : amide:sc= 0.704 K(o=0.7,f=-0.016) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.3) USER MOD Single : A 112 CYS SG : rot 170:sc= -0.66 USER MOD Single : A 115 TYR OH : rot 150:sc= -0.0239 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HD1:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 130:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= -0.943 K(o=-0.94,f=-3.5!) USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -14.037 -2.115 7.117 1.00 0.00 N ATOM 19 CA ALA A 2 -12.824 -1.347 7.361 1.00 0.00 C ATOM 20 C ALA A 2 -12.054 -1.251 6.047 1.00 0.00 C ATOM 21 O ALA A 2 -11.146 -2.038 5.798 1.00 0.00 O ATOM 22 CB ALA A 2 -11.972 -2.023 8.443 1.00 0.00 C ATOM 0 HA ALA A 2 -13.075 -0.348 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.069 -1.437 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.544 -2.087 9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.697 -3.026 8.116 1.00 0.00 H new ATOM 28 N HIS A 3 -12.446 -0.291 5.217 1.00 0.00 N ATOM 29 CA HIS A 3 -11.923 -0.092 3.879 1.00 0.00 C ATOM 30 C HIS A 3 -10.432 0.248 3.960 1.00 0.00 C ATOM 31 O HIS A 3 -10.017 1.067 4.795 1.00 0.00 O ATOM 32 CB HIS A 3 -12.662 1.081 3.232 1.00 0.00 C ATOM 33 CG HIS A 3 -14.125 0.822 3.020 1.00 0.00 C ATOM 34 ND1 HIS A 3 -15.176 1.506 3.583 1.00 0.00 N ATOM 35 CD2 HIS A 3 -14.637 -0.075 2.133 1.00 0.00 C ATOM 36 CE1 HIS A 3 -16.307 1.006 3.053 1.00 0.00 C ATOM 37 NE2 HIS A 3 -16.030 0.038 2.161 1.00 0.00 N ATOM 0 H HIS A 3 -13.161 0.391 5.470 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.061 -0.999 3.290 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.545 1.965 3.859 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.198 1.308 2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.067 -0.754 1.516 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.303 1.337 3.309 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.700 -0.504 1.616 1.00 0.00 H new ATOM 45 N ILE A 4 -9.627 -0.322 3.067 1.00 0.00 N ATOM 46 CA ILE A 4 -8.184 -0.114 3.009 1.00 0.00 C ATOM 47 C ILE A 4 -7.797 0.352 1.599 1.00 0.00 C ATOM 48 O ILE A 4 -8.603 0.267 0.663 1.00 0.00 O ATOM 49 CB ILE A 4 -7.434 -1.386 3.464 1.00 0.00 C ATOM 50 CG1 ILE A 4 -7.616 -2.576 2.497 1.00 0.00 C ATOM 51 CG2 ILE A 4 -7.896 -1.783 4.878 1.00 0.00 C ATOM 52 CD1 ILE A 4 -6.594 -3.688 2.746 1.00 0.00 C ATOM 0 H ILE A 4 -9.969 -0.957 2.346 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.886 0.672 3.703 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.371 -1.144 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.623 -2.980 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.524 -2.224 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.365 -2.680 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.682 -0.970 5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.968 -1.980 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.763 -4.502 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.587 -3.294 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.703 -4.061 3.764 1.00 0.00 H new ATOM 64 N PHE A 5 -6.564 0.830 1.423 1.00 0.00 N ATOM 65 CA PHE A 5 -6.061 1.301 0.141 1.00 0.00 C ATOM 66 C PHE A 5 -4.684 0.703 -0.115 1.00 0.00 C ATOM 67 O PHE A 5 -3.842 0.617 0.781 1.00 0.00 O ATOM 68 CB PHE A 5 -6.031 2.828 0.132 1.00 0.00 C ATOM 69 CG PHE A 5 -5.567 3.424 -1.179 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.491 3.599 -2.224 1.00 0.00 C ATOM 71 CD2 PHE A 5 -4.224 3.803 -1.362 1.00 0.00 C ATOM 72 CE1 PHE A 5 -6.089 4.208 -3.423 1.00 0.00 C ATOM 73 CE2 PHE A 5 -3.820 4.407 -2.562 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.760 4.639 -3.576 1.00 0.00 C ATOM 0 H PHE A 5 -5.882 0.900 2.178 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.720 0.978 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.030 3.203 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.374 3.174 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.511 3.265 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.503 3.628 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.799 4.345 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.788 4.692 -2.704 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.462 5.151 -4.479 1.00 0.00 H new ATOM 84 N VAL A 6 -4.471 0.250 -1.346 1.00 0.00 N ATOM 85 CA VAL A 6 -3.279 -0.489 -1.731 1.00 0.00 C ATOM 86 C VAL A 6 -2.086 0.471 -1.859 1.00 0.00 C ATOM 87 O VAL A 6 -2.057 1.313 -2.757 1.00 0.00 O ATOM 88 CB VAL A 6 -3.560 -1.325 -2.999 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.675 -2.324 -2.682 1.00 0.00 C ATOM 90 CG2 VAL A 6 -3.984 -0.519 -4.239 1.00 0.00 C ATOM 0 H VAL A 6 -5.130 0.389 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.006 -1.206 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.613 -1.800 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.888 -2.924 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.358 -2.976 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.574 -1.784 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.157 -1.199 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.901 0.029 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.195 0.185 -4.502 1.00 0.00 H new ATOM 100 N TYR A 7 -1.073 0.326 -1.000 1.00 0.00 N ATOM 101 CA TYR A 7 0.181 1.088 -1.071 1.00 0.00 C ATOM 102 C TYR A 7 1.022 0.756 -2.322 1.00 0.00 C ATOM 103 O TYR A 7 2.054 1.392 -2.550 1.00 0.00 O ATOM 104 CB TYR A 7 1.004 0.884 0.216 1.00 0.00 C ATOM 105 CG TYR A 7 1.386 -0.550 0.505 1.00 0.00 C ATOM 106 CD1 TYR A 7 0.487 -1.406 1.173 1.00 0.00 C ATOM 107 CD2 TYR A 7 2.628 -1.037 0.061 1.00 0.00 C ATOM 108 CE1 TYR A 7 0.793 -2.769 1.321 1.00 0.00 C ATOM 109 CE2 TYR A 7 2.945 -2.393 0.213 1.00 0.00 C ATOM 110 CZ TYR A 7 2.013 -3.264 0.814 1.00 0.00 C ATOM 111 OH TYR A 7 2.200 -4.598 0.668 1.00 0.00 O ATOM 0 H TYR A 7 -1.100 -0.334 -0.223 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.092 2.139 -1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.914 1.480 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.433 1.270 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.437 -1.014 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.338 -0.365 -0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.101 -3.432 1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.898 -2.769 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 7 1.743 -5.074 1.393 1.00 0.00 H new ATOM 121 N GLY A 8 0.601 -0.209 -3.153 1.00 0.00 N ATOM 122 CA GLY A 8 1.170 -0.458 -4.477 1.00 0.00 C ATOM 123 C GLY A 8 1.215 -1.927 -4.896 1.00 0.00 C ATOM 124 O GLY A 8 1.647 -2.216 -6.013 1.00 0.00 O ATOM 0 H GLY A 8 -0.158 -0.847 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.591 0.097 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.184 -0.058 -4.501 1.00 0.00 H new ATOM 128 N THR A 9 0.775 -2.874 -4.068 1.00 0.00 N ATOM 129 CA THR A 9 1.170 -4.272 -4.212 1.00 0.00 C ATOM 130 C THR A 9 0.032 -5.183 -4.687 1.00 0.00 C ATOM 131 O THR A 9 0.313 -6.275 -5.175 1.00 0.00 O ATOM 132 CB THR A 9 1.795 -4.716 -2.879 1.00 0.00 C ATOM 133 OG1 THR A 9 1.116 -4.092 -1.815 1.00 0.00 O ATOM 134 CG2 THR A 9 3.264 -4.304 -2.792 1.00 0.00 C ATOM 0 H THR A 9 0.142 -2.696 -3.288 1.00 0.00 H new ATOM 0 HA THR A 9 1.908 -4.363 -5.009 1.00 0.00 H new ATOM 0 HB THR A 9 1.716 -5.802 -2.820 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.591 -4.267 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.678 -4.632 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.820 -4.766 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.343 -3.220 -2.868 1.00 0.00 H new ATOM 142 N LEU A 10 -1.230 -4.742 -4.600 1.00 0.00 N ATOM 143 CA LEU A 10 -2.419 -5.557 -4.844 1.00 0.00 C ATOM 144 C LEU A 10 -3.274 -4.954 -5.968 1.00 0.00 C ATOM 145 O LEU A 10 -4.498 -5.036 -5.930 1.00 0.00 O ATOM 146 CB LEU A 10 -3.254 -5.740 -3.554 1.00 0.00 C ATOM 147 CG LEU A 10 -2.570 -6.125 -2.230 1.00 0.00 C ATOM 148 CD1 LEU A 10 -1.661 -7.341 -2.363 1.00 0.00 C ATOM 149 CD2 LEU A 10 -1.919 -4.957 -1.495 1.00 0.00 C ATOM 0 H LEU A 10 -1.454 -3.779 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.083 -6.544 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.788 -4.806 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.005 -6.502 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.385 -6.432 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.207 -7.564 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.246 -8.198 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.878 -7.132 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.461 -5.317 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.154 -4.509 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.676 -4.210 -1.256 1.00 0.00 H new ATOM 161 N LYS A 11 -2.650 -4.271 -6.937 1.00 0.00 N ATOM 162 CA LYS A 11 -3.349 -3.581 -8.023 1.00 0.00 C ATOM 163 C LYS A 11 -2.687 -3.938 -9.354 1.00 0.00 C ATOM 164 O LYS A 11 -3.121 -4.916 -9.955 1.00 0.00 O ATOM 165 CB LYS A 11 -3.494 -2.090 -7.657 1.00 0.00 C ATOM 166 CG LYS A 11 -4.227 -1.186 -8.664 1.00 0.00 C ATOM 167 CD LYS A 11 -3.301 -0.353 -9.563 1.00 0.00 C ATOM 168 CE LYS A 11 -3.931 0.973 -10.011 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.031 0.820 -10.978 1.00 0.00 N ATOM 0 H LYS A 11 -1.635 -4.183 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.379 -3.912 -8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.017 -2.026 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.495 -1.682 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.863 -1.807 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.884 -0.511 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.375 -0.146 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.036 -0.938 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.304 1.500 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.157 1.599 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.166 1.713 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.799 0.062 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.907 0.577 -10.472 1.00 0.00 H new ATOM 183 N ARG A 12 -1.615 -3.246 -9.764 1.00 0.00 N ATOM 184 CA ARG A 12 -0.958 -3.380 -11.075 1.00 0.00 C ATOM 185 C ARG A 12 -0.640 -4.834 -11.418 1.00 0.00 C ATOM 186 O ARG A 12 -1.331 -5.448 -12.219 1.00 0.00 O ATOM 187 CB ARG A 12 0.339 -2.542 -11.126 1.00 0.00 C ATOM 188 CG ARG A 12 0.151 -1.025 -11.179 1.00 0.00 C ATOM 189 CD ARG A 12 -0.247 -0.511 -12.566 1.00 0.00 C ATOM 190 NE ARG A 12 0.631 0.599 -12.959 1.00 0.00 N ATOM 191 CZ ARG A 12 0.388 1.904 -12.812 1.00 0.00 C ATOM 192 NH1 ARG A 12 -0.852 2.336 -12.586 1.00 0.00 N ATOM 193 NH2 ARG A 12 1.395 2.761 -12.864 1.00 0.00 N ATOM 0 H ARG A 12 -1.163 -2.551 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.664 -3.006 -11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.940 -2.784 -10.249 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.913 -2.849 -12.001 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.614 -0.735 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.078 -0.540 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.177 -1.317 -13.296 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.285 -0.179 -12.556 1.00 0.00 H new ATOM 0 HE ARG A 12 1.520 0.346 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.621 1.669 -12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.032 3.334 -12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.345 2.423 -13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.221 3.760 -12.753 1.00 0.00 H new ATOM 207 N GLY A 13 0.437 -5.355 -10.833 1.00 0.00 N ATOM 208 CA GLY A 13 1.108 -6.556 -11.299 1.00 0.00 C ATOM 209 C GLY A 13 2.173 -7.007 -10.312 1.00 0.00 C ATOM 210 O GLY A 13 3.019 -7.832 -10.643 1.00 0.00 O ATOM 0 H GLY A 13 0.872 -4.943 -10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.378 -7.353 -11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.565 -6.367 -12.270 1.00 0.00 H new ATOM 214 N GLN A 14 2.186 -6.413 -9.113 1.00 0.00 N ATOM 215 CA GLN A 14 3.091 -6.816 -8.054 1.00 0.00 C ATOM 216 C GLN A 14 2.741 -8.257 -7.651 1.00 0.00 C ATOM 217 O GLN A 14 1.563 -8.622 -7.669 1.00 0.00 O ATOM 218 CB GLN A 14 2.963 -5.846 -6.867 1.00 0.00 C ATOM 219 CG GLN A 14 4.134 -4.861 -6.726 1.00 0.00 C ATOM 220 CD GLN A 14 4.284 -3.851 -7.861 1.00 0.00 C ATOM 221 OE1 GLN A 14 5.374 -3.658 -8.363 1.00 0.00 O ATOM 222 NE2 GLN A 14 3.229 -3.158 -8.268 1.00 0.00 N ATOM 0 H GLN A 14 1.568 -5.643 -8.860 1.00 0.00 H new ATOM 0 HA GLN A 14 4.127 -6.784 -8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.038 -5.280 -6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.878 -6.425 -5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.016 -4.315 -5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.059 -5.432 -6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.316 -3.323 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.331 -2.460 -9.005 1.00 0.00 H new ATOM 231 N PRO A 15 3.722 -9.040 -7.176 1.00 0.00 N ATOM 232 CA PRO A 15 3.578 -10.483 -6.959 1.00 0.00 C ATOM 233 C PRO A 15 2.625 -10.815 -5.808 1.00 0.00 C ATOM 234 O PRO A 15 2.260 -11.969 -5.587 1.00 0.00 O ATOM 235 CB PRO A 15 4.993 -10.980 -6.643 1.00 0.00 C ATOM 236 CG PRO A 15 5.703 -9.754 -6.104 1.00 0.00 C ATOM 237 CD PRO A 15 5.062 -8.590 -6.841 1.00 0.00 C ATOM 0 HA PRO A 15 3.146 -10.963 -7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.978 -11.787 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.488 -11.368 -7.534 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.573 -9.662 -5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.776 -9.801 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.032 -7.697 -6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.626 -8.333 -7.737 1.00 0.00 H new ATOM 245 N ASN A 16 2.277 -9.798 -5.024 1.00 0.00 N ATOM 246 CA ASN A 16 1.489 -9.923 -3.823 1.00 0.00 C ATOM 247 C ASN A 16 -0.001 -9.913 -4.103 1.00 0.00 C ATOM 248 O ASN A 16 -0.727 -10.250 -3.179 1.00 0.00 O ATOM 249 CB ASN A 16 1.832 -8.780 -2.864 1.00 0.00 C ATOM 250 CG ASN A 16 3.321 -8.763 -2.572 1.00 0.00 C ATOM 251 OD1 ASN A 16 3.808 -9.565 -1.787 1.00 0.00 O ATOM 252 ND2 ASN A 16 4.073 -7.934 -3.282 1.00 0.00 N ATOM 0 H ASN A 16 2.550 -8.836 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 16 1.732 -10.886 -3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.530 -7.828 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.274 -8.897 -1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.088 -7.953 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.637 -7.277 -3.928 1.00 0.00 H new ATOM 259 N HIS A 17 -0.483 -9.553 -5.304 1.00 0.00 N ATOM 260 CA HIS A 17 -1.923 -9.450 -5.585 1.00 0.00 C ATOM 261 C HIS A 17 -2.643 -10.721 -5.119 1.00 0.00 C ATOM 262 O HIS A 17 -3.701 -10.635 -4.488 1.00 0.00 O ATOM 263 CB HIS A 17 -2.174 -9.126 -7.074 1.00 0.00 C ATOM 264 CG HIS A 17 -3.523 -8.504 -7.394 1.00 0.00 C ATOM 265 ND1 HIS A 17 -3.744 -7.454 -8.265 1.00 0.00 N ATOM 266 CD2 HIS A 17 -4.751 -8.905 -6.934 1.00 0.00 C ATOM 267 CE1 HIS A 17 -5.067 -7.216 -8.296 1.00 0.00 C ATOM 268 NE2 HIS A 17 -5.726 -8.080 -7.506 1.00 0.00 N ATOM 0 H HIS A 17 0.111 -9.327 -6.102 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.342 -8.618 -5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.392 -8.449 -7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.073 -10.046 -7.649 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.030 -6.949 -8.791 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.934 -9.718 -6.248 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.536 -6.436 -8.877 1.00 0.00 H new ATOM 276 N LYS A 18 -2.012 -11.884 -5.318 1.00 0.00 N ATOM 277 CA LYS A 18 -2.511 -13.190 -4.914 1.00 0.00 C ATOM 278 C LYS A 18 -2.964 -13.296 -3.455 1.00 0.00 C ATOM 279 O LYS A 18 -3.800 -14.150 -3.181 1.00 0.00 O ATOM 280 CB LYS A 18 -1.496 -14.272 -5.326 1.00 0.00 C ATOM 281 CG LYS A 18 -0.183 -14.332 -4.519 1.00 0.00 C ATOM 282 CD LYS A 18 -0.326 -15.159 -3.231 1.00 0.00 C ATOM 283 CE LYS A 18 1.019 -15.692 -2.702 1.00 0.00 C ATOM 284 NZ LYS A 18 1.823 -14.745 -1.899 1.00 0.00 N ATOM 0 H LYS A 18 -1.106 -11.936 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.444 -13.356 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.985 -15.243 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.244 -14.120 -6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.603 -14.763 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.131 -13.320 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.794 -14.545 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.995 -15.999 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.823 -16.576 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.619 -16.016 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.704 -15.207 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.051 -13.909 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.280 -14.452 -1.062 1.00 0.00 H new ATOM 298 N VAL A 19 -2.471 -12.471 -2.521 1.00 0.00 N ATOM 299 CA VAL A 19 -2.913 -12.520 -1.122 1.00 0.00 C ATOM 300 C VAL A 19 -4.428 -12.347 -1.028 1.00 0.00 C ATOM 301 O VAL A 19 -5.092 -13.133 -0.361 1.00 0.00 O ATOM 302 CB VAL A 19 -2.162 -11.507 -0.228 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.654 -11.804 -0.214 1.00 0.00 C ATOM 304 CG2 VAL A 19 -2.462 -10.038 -0.513 1.00 0.00 C ATOM 0 H VAL A 19 -1.764 -11.760 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.661 -13.508 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.559 -11.658 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.146 -11.078 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.485 -12.808 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.260 -11.736 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.886 -9.410 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.189 -9.804 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.526 -9.849 -0.368 1.00 0.00 H new ATOM 314 N MET A 20 -4.992 -11.374 -1.752 1.00 0.00 N ATOM 315 CA MET A 20 -6.412 -11.067 -1.687 1.00 0.00 C ATOM 316 C MET A 20 -7.262 -12.124 -2.381 1.00 0.00 C ATOM 317 O MET A 20 -8.488 -12.019 -2.375 1.00 0.00 O ATOM 318 CB MET A 20 -6.724 -9.710 -2.324 1.00 0.00 C ATOM 319 CG MET A 20 -5.652 -8.619 -2.332 1.00 0.00 C ATOM 320 SD MET A 20 -5.873 -7.387 -1.028 1.00 0.00 S ATOM 321 CE MET A 20 -6.977 -6.286 -1.938 1.00 0.00 C ATOM 0 H MET A 20 -4.471 -10.781 -2.398 1.00 0.00 H new ATOM 0 HA MET A 20 -6.661 -11.045 -0.626 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.012 -9.893 -3.359 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.599 -9.304 -1.817 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.672 -9.082 -2.222 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.661 -8.118 -3.300 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.246 -5.438 -1.308 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.473 -5.926 -2.835 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.879 -6.828 -2.221 1.00 0.00 H new ATOM 331 N LEU A 21 -6.623 -13.070 -3.066 1.00 0.00 N ATOM 332 CA LEU A 21 -7.272 -14.096 -3.854 1.00 0.00 C ATOM 333 C LEU A 21 -7.271 -15.399 -3.050 1.00 0.00 C ATOM 334 O LEU A 21 -7.560 -16.460 -3.606 1.00 0.00 O ATOM 335 CB LEU A 21 -6.573 -14.252 -5.221 1.00 0.00 C ATOM 336 CG LEU A 21 -6.160 -12.943 -5.933 1.00 0.00 C ATOM 337 CD1 LEU A 21 -5.525 -13.283 -7.285 1.00 0.00 C ATOM 338 CD2 LEU A 21 -7.295 -11.927 -6.114 1.00 0.00 C ATOM 0 H LEU A 21 -5.605 -13.139 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.305 -13.818 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.680 -14.862 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.237 -14.807 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.441 -12.450 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.232 -12.363 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.645 -13.906 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.246 -13.822 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.913 -11.041 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.091 -12.373 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.689 -11.644 -5.138 1.00 0.00 H new ATOM 350 N ASP A 22 -6.932 -15.362 -1.758 1.00 0.00 N ATOM 351 CA ASP A 22 -6.918 -16.531 -0.898 1.00 0.00 C ATOM 352 C ASP A 22 -7.739 -16.267 0.345 1.00 0.00 C ATOM 353 O ASP A 22 -7.311 -15.552 1.246 1.00 0.00 O ATOM 354 CB ASP A 22 -5.489 -16.972 -0.560 1.00 0.00 C ATOM 355 CG ASP A 22 -5.530 -18.470 -0.309 1.00 0.00 C ATOM 356 OD1 ASP A 22 -6.394 -18.948 0.453 1.00 0.00 O ATOM 357 OD2 ASP A 22 -4.900 -19.193 -1.117 1.00 0.00 O ATOM 0 H ASP A 22 -6.657 -14.503 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.374 -17.362 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.810 -16.737 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.121 -16.444 0.320 1.00 0.00 H new ATOM 362 N HIS A 23 -8.947 -16.823 0.383 1.00 0.00 N ATOM 363 CA HIS A 23 -9.876 -16.567 1.468 1.00 0.00 C ATOM 364 C HIS A 23 -9.389 -17.132 2.814 1.00 0.00 C ATOM 365 O HIS A 23 -9.812 -16.653 3.861 1.00 0.00 O ATOM 366 CB HIS A 23 -11.249 -17.111 1.073 1.00 0.00 C ATOM 367 CG HIS A 23 -12.333 -16.640 2.005 1.00 0.00 C ATOM 368 ND1 HIS A 23 -13.176 -17.426 2.752 1.00 0.00 N ATOM 369 CD2 HIS A 23 -12.606 -15.334 2.302 1.00 0.00 C ATOM 370 CE1 HIS A 23 -13.953 -16.610 3.478 1.00 0.00 C ATOM 371 NE2 HIS A 23 -13.648 -15.320 3.235 1.00 0.00 N ATOM 0 H HIS A 23 -9.302 -17.457 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.946 -15.491 1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.484 -16.797 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.220 -18.201 1.072 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.107 -14.469 1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.719 -16.941 4.164 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.089 -14.498 3.649 1.00 0.00 H new ATOM 379 N SER A 24 -8.443 -18.080 2.815 1.00 0.00 N ATOM 380 CA SER A 24 -7.745 -18.495 4.036 1.00 0.00 C ATOM 381 C SER A 24 -6.859 -17.377 4.614 1.00 0.00 C ATOM 382 O SER A 24 -6.520 -17.432 5.797 1.00 0.00 O ATOM 383 CB SER A 24 -6.923 -19.757 3.787 1.00 0.00 C ATOM 384 OG SER A 24 -7.636 -20.947 4.092 1.00 0.00 O ATOM 0 H SER A 24 -8.143 -18.577 1.976 1.00 0.00 H new ATOM 0 HA SER A 24 -8.511 -18.714 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.612 -19.783 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.015 -19.718 4.389 1.00 0.00 H new ATOM 0 HG SER A 24 -7.066 -21.724 3.914 1.00 0.00 H new ATOM 390 N HIS A 25 -6.485 -16.371 3.818 1.00 0.00 N ATOM 391 CA HIS A 25 -5.837 -15.153 4.294 1.00 0.00 C ATOM 392 C HIS A 25 -6.869 -14.052 4.566 1.00 0.00 C ATOM 393 O HIS A 25 -6.570 -13.125 5.308 1.00 0.00 O ATOM 394 CB HIS A 25 -4.782 -14.693 3.279 1.00 0.00 C ATOM 395 CG HIS A 25 -3.673 -15.690 3.022 1.00 0.00 C ATOM 396 ND1 HIS A 25 -2.934 -15.777 1.864 1.00 0.00 N ATOM 397 CD2 HIS A 25 -3.185 -16.630 3.893 1.00 0.00 C ATOM 398 CE1 HIS A 25 -2.015 -16.744 2.036 1.00 0.00 C ATOM 399 NE2 HIS A 25 -2.129 -17.296 3.256 1.00 0.00 N ATOM 0 H HIS A 25 -6.628 -16.384 2.808 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.336 -15.367 5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.279 -14.472 2.334 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.340 -13.762 3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.549 -16.823 4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.286 -17.037 1.295 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.560 -18.050 3.642 1.00 0.00 H new ATOM 407 N GLY A 26 -8.091 -14.159 4.039 1.00 0.00 N ATOM 408 CA GLY A 26 -9.224 -13.313 4.389 1.00 0.00 C ATOM 409 C GLY A 26 -9.927 -12.761 3.160 1.00 0.00 C ATOM 410 O GLY A 26 -9.547 -13.035 2.020 1.00 0.00 O ATOM 0 H GLY A 26 -8.322 -14.860 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.934 -13.887 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.880 -12.487 5.011 1.00 0.00 H new ATOM 414 N LEU A 27 -10.990 -11.999 3.400 1.00 0.00 N ATOM 415 CA LEU A 27 -11.845 -11.469 2.349 1.00 0.00 C ATOM 416 C LEU A 27 -11.334 -10.122 1.843 1.00 0.00 C ATOM 417 O LEU A 27 -10.879 -9.303 2.640 1.00 0.00 O ATOM 418 CB LEU A 27 -13.242 -11.285 2.946 1.00 0.00 C ATOM 419 CG LEU A 27 -14.317 -10.885 1.926 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.430 -11.963 0.850 1.00 0.00 C ATOM 421 CD2 LEU A 27 -15.660 -10.692 2.622 1.00 0.00 C ATOM 0 H LEU A 27 -11.283 -11.731 4.340 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.855 -12.159 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.544 -12.215 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.194 -10.523 3.724 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.032 -9.943 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.194 -11.677 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.472 -12.072 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.705 -12.911 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.413 -10.409 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.957 -11.623 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.571 -9.906 3.372 1.00 0.00 H new ATOM 433 N ALA A 28 -11.536 -9.838 0.554 1.00 0.00 N ATOM 434 CA ALA A 28 -11.470 -8.497 -0.013 1.00 0.00 C ATOM 435 C ALA A 28 -12.639 -8.302 -0.988 1.00 0.00 C ATOM 436 O ALA A 28 -13.202 -9.281 -1.485 1.00 0.00 O ATOM 437 CB ALA A 28 -10.113 -8.305 -0.695 1.00 0.00 C ATOM 0 H ALA A 28 -11.755 -10.555 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.560 -7.743 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.058 -7.303 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.316 -8.432 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.997 -9.043 -1.488 1.00 0.00 H new ATOM 443 N ALA A 29 -13.009 -7.052 -1.266 1.00 0.00 N ATOM 444 CA ALA A 29 -14.022 -6.633 -2.231 1.00 0.00 C ATOM 445 C ALA A 29 -13.565 -5.334 -2.898 1.00 0.00 C ATOM 446 O ALA A 29 -13.082 -4.426 -2.222 1.00 0.00 O ATOM 447 CB ALA A 29 -15.355 -6.402 -1.516 1.00 0.00 C ATOM 0 H ALA A 29 -12.582 -6.256 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.154 -7.409 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.107 -6.090 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.675 -7.327 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.233 -5.625 -0.761 1.00 0.00 H new ATOM 453 N PHE A 30 -13.723 -5.234 -4.216 1.00 0.00 N ATOM 454 CA PHE A 30 -13.369 -4.088 -5.049 1.00 0.00 C ATOM 455 C PHE A 30 -14.399 -2.967 -4.864 1.00 0.00 C ATOM 456 O PHE A 30 -15.271 -2.750 -5.705 1.00 0.00 O ATOM 457 CB PHE A 30 -13.280 -4.568 -6.508 1.00 0.00 C ATOM 458 CG PHE A 30 -13.090 -3.492 -7.564 1.00 0.00 C ATOM 459 CD1 PHE A 30 -12.028 -2.573 -7.472 1.00 0.00 C ATOM 460 CD2 PHE A 30 -14.004 -3.394 -8.634 1.00 0.00 C ATOM 461 CE1 PHE A 30 -11.890 -1.565 -8.443 1.00 0.00 C ATOM 462 CE2 PHE A 30 -13.851 -2.395 -9.609 1.00 0.00 C ATOM 463 CZ PHE A 30 -12.793 -1.477 -9.515 1.00 0.00 C ATOM 0 H PHE A 30 -14.125 -5.996 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.403 -3.675 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.452 -5.273 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.191 -5.119 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.321 -2.642 -6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.826 -4.091 -8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.082 -0.852 -8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.548 -2.333 -10.432 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.674 -0.707 -10.263 1.00 0.00 H new ATOM 473 N ARG A 31 -14.290 -2.210 -3.774 1.00 0.00 N ATOM 474 CA ARG A 31 -15.137 -1.043 -3.540 1.00 0.00 C ATOM 475 C ARG A 31 -14.423 0.218 -4.005 1.00 0.00 C ATOM 476 O ARG A 31 -14.202 1.131 -3.211 1.00 0.00 O ATOM 477 CB ARG A 31 -15.588 -0.991 -2.066 1.00 0.00 C ATOM 478 CG ARG A 31 -16.569 -2.085 -1.634 1.00 0.00 C ATOM 479 CD ARG A 31 -17.819 -2.079 -2.511 1.00 0.00 C ATOM 480 NE ARG A 31 -18.799 -3.073 -2.070 1.00 0.00 N ATOM 481 CZ ARG A 31 -19.827 -3.502 -2.814 1.00 0.00 C ATOM 482 NH1 ARG A 31 -19.960 -3.089 -4.069 1.00 0.00 N ATOM 483 NH2 ARG A 31 -20.739 -4.317 -2.297 1.00 0.00 N ATOM 0 H ARG A 31 -13.614 -2.388 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 31 -16.050 -1.120 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.703 -1.051 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -16.049 -0.021 -1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.083 -3.059 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.851 -1.934 -0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.272 -1.088 -2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.538 -2.280 -3.545 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.692 -3.465 -1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.279 -2.444 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.744 -3.417 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.660 -4.621 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.519 -4.639 -2.870 1.00 0.00 H new ATOM 497 N GLY A 32 -14.158 0.282 -5.307 1.00 0.00 N ATOM 498 CA GLY A 32 -13.910 1.525 -6.016 1.00 0.00 C ATOM 499 C GLY A 32 -12.437 1.791 -6.303 1.00 0.00 C ATOM 500 O GLY A 32 -11.535 1.049 -5.898 1.00 0.00 O ATOM 0 H GLY A 32 -14.110 -0.543 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.456 1.509 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.311 2.352 -5.430 1.00 0.00 H new ATOM 504 N ARG A 33 -12.175 2.870 -7.043 1.00 0.00 N ATOM 505 CA ARG A 33 -10.817 3.285 -7.403 1.00 0.00 C ATOM 506 C ARG A 33 -10.517 4.607 -6.724 1.00 0.00 C ATOM 507 O ARG A 33 -11.431 5.360 -6.398 1.00 0.00 O ATOM 508 CB ARG A 33 -10.688 3.397 -8.924 1.00 0.00 C ATOM 509 CG ARG A 33 -10.773 2.019 -9.601 1.00 0.00 C ATOM 510 CD ARG A 33 -11.300 2.139 -11.023 1.00 0.00 C ATOM 511 NE ARG A 33 -10.477 3.045 -11.840 1.00 0.00 N ATOM 512 CZ ARG A 33 -9.497 2.672 -12.668 1.00 0.00 C ATOM 513 NH1 ARG A 33 -9.075 1.412 -12.720 1.00 0.00 N ATOM 514 NH2 ARG A 33 -8.921 3.576 -13.448 1.00 0.00 N ATOM 0 H ARG A 33 -12.902 3.484 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.094 2.543 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.477 4.042 -9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.738 3.869 -9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.787 1.555 -9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.426 1.366 -9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.322 1.152 -11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.327 2.504 -11.000 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.671 4.044 -11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.501 0.706 -12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.325 1.151 -13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.227 4.549 -13.413 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.172 3.299 -14.083 1.00 0.00 H new ATOM 528 N GLY A 34 -9.239 4.934 -6.546 1.00 0.00 N ATOM 529 CA GLY A 34 -8.882 6.147 -5.838 1.00 0.00 C ATOM 530 C GLY A 34 -7.410 6.457 -5.912 1.00 0.00 C ATOM 531 O GLY A 34 -6.607 5.706 -6.470 1.00 0.00 O ATOM 0 H GLY A 34 -8.449 4.381 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.445 6.983 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.176 6.052 -4.793 1.00 0.00 H new ATOM 535 N CYS A 35 -7.066 7.585 -5.318 1.00 0.00 N ATOM 536 CA CYS A 35 -5.701 8.011 -5.130 1.00 0.00 C ATOM 537 C CYS A 35 -5.577 8.636 -3.748 1.00 0.00 C ATOM 538 O CYS A 35 -6.529 9.246 -3.260 1.00 0.00 O ATOM 539 CB CYS A 35 -5.319 8.958 -6.267 1.00 0.00 C ATOM 540 SG CYS A 35 -6.428 10.376 -6.441 1.00 0.00 S ATOM 0 H CYS A 35 -7.750 8.244 -4.945 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.002 7.176 -5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.305 9.320 -6.100 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.308 8.400 -7.203 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.026 11.123 -7.426 1.00 0.00 H new ATOM 546 N THR A 36 -4.425 8.467 -3.107 1.00 0.00 N ATOM 547 CA THR A 36 -4.104 9.178 -1.877 1.00 0.00 C ATOM 548 C THR A 36 -3.871 10.628 -2.307 1.00 0.00 C ATOM 549 O THR A 36 -2.833 10.938 -2.884 1.00 0.00 O ATOM 550 CB THR A 36 -2.902 8.530 -1.156 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.948 8.014 -2.053 1.00 0.00 O ATOM 552 CG2 THR A 36 -3.261 7.315 -0.315 1.00 0.00 C ATOM 0 H THR A 36 -3.690 7.835 -3.425 1.00 0.00 H new ATOM 0 HA THR A 36 -4.903 9.133 -1.137 1.00 0.00 H new ATOM 0 HB THR A 36 -2.530 9.354 -0.547 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.051 8.286 -1.769 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.361 6.920 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.977 7.604 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.702 6.549 -0.952 1.00 0.00 H new ATOM 560 N VAL A 37 -4.896 11.476 -2.177 1.00 0.00 N ATOM 561 CA VAL A 37 -4.795 12.887 -2.540 1.00 0.00 C ATOM 562 C VAL A 37 -3.840 13.600 -1.594 1.00 0.00 C ATOM 563 O VAL A 37 -3.074 14.456 -2.032 1.00 0.00 O ATOM 564 CB VAL A 37 -6.166 13.582 -2.575 1.00 0.00 C ATOM 565 CG1 VAL A 37 -6.741 13.387 -3.976 1.00 0.00 C ATOM 566 CG2 VAL A 37 -7.149 13.090 -1.495 1.00 0.00 C ATOM 0 H VAL A 37 -5.812 11.203 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.397 12.941 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.022 14.638 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.717 13.868 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.069 13.832 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.848 12.322 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.092 13.630 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.328 12.023 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.724 13.269 -0.507 1.00 0.00 H new ATOM 576 N GLU A 38 -3.856 13.209 -0.320 1.00 0.00 N ATOM 577 CA GLU A 38 -2.778 13.475 0.604 1.00 0.00 C ATOM 578 C GLU A 38 -1.525 12.883 -0.025 1.00 0.00 C ATOM 579 O GLU A 38 -1.424 11.664 -0.183 1.00 0.00 O ATOM 580 CB GLU A 38 -3.100 12.847 1.972 1.00 0.00 C ATOM 581 CG GLU A 38 -3.676 13.809 3.024 1.00 0.00 C ATOM 582 CD GLU A 38 -4.521 14.969 2.481 1.00 0.00 C ATOM 583 OE1 GLU A 38 -5.578 14.738 1.862 1.00 0.00 O ATOM 584 OE2 GLU A 38 -4.117 16.143 2.698 1.00 0.00 O ATOM 0 H GLU A 38 -4.632 12.693 0.095 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.634 14.541 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.811 12.034 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.188 12.403 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.288 13.233 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.849 14.226 3.599 1.00 0.00 H new ATOM 591 N SER A 39 -0.602 13.749 -0.436 1.00 0.00 N ATOM 592 CA SER A 39 0.691 13.330 -0.940 1.00 0.00 C ATOM 593 C SER A 39 1.365 12.497 0.152 1.00 0.00 C ATOM 594 O SER A 39 1.245 12.846 1.330 1.00 0.00 O ATOM 595 CB SER A 39 1.539 14.561 -1.279 1.00 0.00 C ATOM 596 OG SER A 39 0.777 15.604 -1.861 1.00 0.00 O ATOM 0 H SER A 39 -0.735 14.760 -0.427 1.00 0.00 H new ATOM 0 HA SER A 39 0.581 12.738 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.018 14.929 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.335 14.271 -1.965 1.00 0.00 H new ATOM 0 HG SER A 39 1.361 16.366 -2.057 1.00 0.00 H new ATOM 602 N PHE A 40 2.094 11.443 -0.205 1.00 0.00 N ATOM 603 CA PHE A 40 2.934 10.756 0.756 1.00 0.00 C ATOM 604 C PHE A 40 4.264 10.449 0.061 1.00 0.00 C ATOM 605 O PHE A 40 4.305 10.259 -1.161 1.00 0.00 O ATOM 606 CB PHE A 40 2.270 9.445 1.187 1.00 0.00 C ATOM 607 CG PHE A 40 1.237 9.551 2.285 1.00 0.00 C ATOM 608 CD1 PHE A 40 1.633 9.594 3.631 1.00 0.00 C ATOM 609 CD2 PHE A 40 -0.130 9.551 1.957 1.00 0.00 C ATOM 610 CE1 PHE A 40 0.663 9.642 4.646 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.101 9.583 2.970 1.00 0.00 C ATOM 612 CZ PHE A 40 -0.705 9.613 4.318 1.00 0.00 C ATOM 0 H PHE A 40 2.117 11.053 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 40 3.087 11.373 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.797 8.997 0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.050 8.757 1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.682 9.590 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.434 9.526 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.968 9.701 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.150 9.585 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.449 9.614 5.101 1.00 0.00 H new ATOM 622 N PRO A 41 5.344 10.327 0.843 1.00 0.00 N ATOM 623 CA PRO A 41 6.685 9.986 0.392 1.00 0.00 C ATOM 624 C PRO A 41 6.818 8.478 0.176 1.00 0.00 C ATOM 625 O PRO A 41 7.076 7.725 1.119 1.00 0.00 O ATOM 626 CB PRO A 41 7.607 10.463 1.515 1.00 0.00 C ATOM 627 CG PRO A 41 6.729 10.336 2.744 1.00 0.00 C ATOM 628 CD PRO A 41 5.368 10.730 2.234 1.00 0.00 C ATOM 0 HA PRO A 41 6.930 10.451 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.503 9.847 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.938 11.490 1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.733 9.320 3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.064 10.992 3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.579 10.235 2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.207 11.803 2.334 1.00 0.00 H new ATOM 636 N LEU A 42 6.659 8.030 -1.066 1.00 0.00 N ATOM 637 CA LEU A 42 6.967 6.665 -1.459 1.00 0.00 C ATOM 638 C LEU A 42 8.406 6.667 -1.953 1.00 0.00 C ATOM 639 O LEU A 42 8.691 7.312 -2.963 1.00 0.00 O ATOM 640 CB LEU A 42 5.982 6.217 -2.554 1.00 0.00 C ATOM 641 CG LEU A 42 6.205 4.788 -3.083 1.00 0.00 C ATOM 642 CD1 LEU A 42 5.885 3.731 -2.019 1.00 0.00 C ATOM 643 CD2 LEU A 42 5.295 4.542 -4.296 1.00 0.00 C ATOM 0 H LEU A 42 6.311 8.609 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 42 6.865 5.963 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.968 6.289 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.050 6.913 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 42 7.256 4.701 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.055 2.736 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.530 3.880 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.842 3.824 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.453 3.531 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.253 4.660 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.532 5.260 -5.081 1.00 0.00 H new ATOM 655 N VAL A 43 9.309 5.983 -1.253 1.00 0.00 N ATOM 656 CA VAL A 43 10.716 5.867 -1.640 1.00 0.00 C ATOM 657 C VAL A 43 11.078 4.380 -1.684 1.00 0.00 C ATOM 658 O VAL A 43 10.497 3.598 -0.931 1.00 0.00 O ATOM 659 CB VAL A 43 11.622 6.699 -0.700 1.00 0.00 C ATOM 660 CG1 VAL A 43 11.194 8.172 -0.644 1.00 0.00 C ATOM 661 CG2 VAL A 43 11.697 6.143 0.730 1.00 0.00 C ATOM 0 H VAL A 43 9.083 5.487 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 43 10.880 6.285 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 43 12.617 6.625 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.857 8.718 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.251 8.606 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.170 8.240 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.349 6.776 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.699 6.129 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.097 5.129 0.706 1.00 0.00 H new ATOM 671 N ILE A 44 12.013 3.979 -2.551 1.00 0.00 N ATOM 672 CA ILE A 44 12.486 2.600 -2.661 1.00 0.00 C ATOM 673 C ILE A 44 13.729 2.495 -1.782 1.00 0.00 C ATOM 674 O ILE A 44 14.691 3.238 -1.986 1.00 0.00 O ATOM 675 CB ILE A 44 12.742 2.164 -4.128 1.00 0.00 C ATOM 676 CG1 ILE A 44 11.485 2.385 -5.012 1.00 0.00 C ATOM 677 CG2 ILE A 44 13.152 0.672 -4.123 1.00 0.00 C ATOM 678 CD1 ILE A 44 11.706 2.240 -6.521 1.00 0.00 C ATOM 0 H ILE A 44 12.468 4.615 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 44 11.719 1.906 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 44 13.540 2.772 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.717 1.675 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.094 3.383 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.338 0.342 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.058 0.546 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.349 0.076 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.766 2.414 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.446 2.969 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.063 1.234 -6.741 1.00 0.00 H new ATOM 690 N ALA A 45 13.707 1.592 -0.799 1.00 0.00 N ATOM 691 CA ALA A 45 14.839 1.326 0.073 1.00 0.00 C ATOM 692 C ALA A 45 14.978 -0.178 0.326 1.00 0.00 C ATOM 693 O ALA A 45 14.177 -0.990 -0.148 1.00 0.00 O ATOM 694 CB ALA A 45 14.664 2.107 1.382 1.00 0.00 C ATOM 0 H ALA A 45 12.889 1.021 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 45 15.759 1.659 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.511 1.910 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.613 3.174 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.743 1.792 1.873 1.00 0.00 H new ATOM 700 N GLY A 46 15.984 -0.534 1.120 1.00 0.00 N ATOM 701 CA GLY A 46 16.225 -1.875 1.618 1.00 0.00 C ATOM 702 C GLY A 46 16.804 -2.787 0.538 1.00 0.00 C ATOM 703 O GLY A 46 16.559 -2.623 -0.659 1.00 0.00 O ATOM 0 H GLY A 46 16.680 0.137 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.912 -1.831 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.291 -2.298 1.989 1.00 0.00 H new ATOM 707 N GLU A 47 17.545 -3.814 0.956 1.00 0.00 N ATOM 708 CA GLU A 47 18.306 -4.644 0.020 1.00 0.00 C ATOM 709 C GLU A 47 17.422 -5.472 -0.909 1.00 0.00 C ATOM 710 O GLU A 47 17.876 -5.904 -1.969 1.00 0.00 O ATOM 711 CB GLU A 47 19.323 -5.517 0.779 1.00 0.00 C ATOM 712 CG GLU A 47 20.620 -5.615 -0.033 1.00 0.00 C ATOM 713 CD GLU A 47 21.675 -6.557 0.547 1.00 0.00 C ATOM 714 OE1 GLU A 47 21.869 -6.560 1.784 1.00 0.00 O ATOM 715 OE2 GLU A 47 22.328 -7.247 -0.275 1.00 0.00 O ATOM 0 H GLU A 47 17.635 -4.091 1.934 1.00 0.00 H new ATOM 0 HA GLU A 47 18.854 -3.966 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.527 -5.087 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.910 -6.512 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.375 -5.945 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 47 21.053 -4.618 -0.120 1.00 0.00 H new ATOM 722 N HIS A 48 16.149 -5.626 -0.561 1.00 0.00 N ATOM 723 CA HIS A 48 15.218 -6.484 -1.264 1.00 0.00 C ATOM 724 C HIS A 48 14.295 -5.714 -2.215 1.00 0.00 C ATOM 725 O HIS A 48 13.352 -6.299 -2.754 1.00 0.00 O ATOM 726 CB HIS A 48 14.454 -7.307 -0.216 1.00 0.00 C ATOM 727 CG HIS A 48 15.169 -8.588 0.124 1.00 0.00 C ATOM 728 ND1 HIS A 48 15.313 -9.671 -0.711 1.00 0.00 N ATOM 729 CD2 HIS A 48 15.846 -8.864 1.281 1.00 0.00 C ATOM 730 CE1 HIS A 48 16.026 -10.602 -0.064 1.00 0.00 C ATOM 731 NE2 HIS A 48 16.392 -10.144 1.147 1.00 0.00 N ATOM 0 H HIS A 48 15.732 -5.145 0.236 1.00 0.00 H new ATOM 0 HA HIS A 48 15.768 -7.157 -1.923 1.00 0.00 H new ATOM 0 HB2 HIS A 48 14.325 -6.713 0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.457 -7.537 -0.592 1.00 0.00 H new ATOM 0 HD1 HIS A 48 14.942 -9.751 -1.658 1.00 0.00 H new ATOM 0 HD2 HIS A 48 15.941 -8.214 2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.271 -11.578 -0.457 1.00 0.00 H new ATOM 739 N ASN A 49 14.571 -4.423 -2.436 1.00 0.00 N ATOM 740 CA ASN A 49 13.732 -3.487 -3.181 1.00 0.00 C ATOM 741 C ASN A 49 12.350 -3.439 -2.527 1.00 0.00 C ATOM 742 O ASN A 49 11.356 -3.905 -3.084 1.00 0.00 O ATOM 743 CB ASN A 49 13.658 -3.835 -4.682 1.00 0.00 C ATOM 744 CG ASN A 49 14.998 -3.946 -5.387 1.00 0.00 C ATOM 745 OD1 ASN A 49 15.985 -3.325 -5.010 1.00 0.00 O ATOM 746 ND2 ASN A 49 15.074 -4.749 -6.431 1.00 0.00 N ATOM 0 H ASN A 49 15.423 -3.987 -2.084 1.00 0.00 H new ATOM 0 HA ASN A 49 14.181 -2.494 -3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.127 -4.781 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.062 -3.074 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.958 -4.856 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 49 14.249 -5.263 -6.740 1.00 0.00 H new ATOM 753 N ILE A 50 12.308 -2.924 -1.300 1.00 0.00 N ATOM 754 CA ILE A 50 11.130 -2.819 -0.451 1.00 0.00 C ATOM 755 C ILE A 50 10.837 -1.323 -0.338 1.00 0.00 C ATOM 756 O ILE A 50 11.437 -0.672 0.511 1.00 0.00 O ATOM 757 CB ILE A 50 11.341 -3.540 0.909 1.00 0.00 C ATOM 758 CG1 ILE A 50 11.510 -5.058 0.684 1.00 0.00 C ATOM 759 CG2 ILE A 50 10.140 -3.301 1.844 1.00 0.00 C ATOM 760 CD1 ILE A 50 11.998 -5.801 1.931 1.00 0.00 C ATOM 0 H ILE A 50 13.143 -2.549 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 50 10.263 -3.328 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 50 12.241 -3.134 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.556 -5.480 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.217 -5.222 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.308 -3.814 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.028 -2.232 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.233 -3.687 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.096 -6.863 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.966 -5.403 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.279 -5.666 2.739 1.00 0.00 H new ATOM 772 N PRO A 51 10.077 -0.696 -1.250 1.00 0.00 N ATOM 773 CA PRO A 51 9.633 0.666 -1.015 1.00 0.00 C ATOM 774 C PRO A 51 8.735 0.763 0.210 1.00 0.00 C ATOM 775 O PRO A 51 7.917 -0.127 0.460 1.00 0.00 O ATOM 776 CB PRO A 51 8.893 1.111 -2.272 1.00 0.00 C ATOM 777 CG PRO A 51 8.464 -0.203 -2.916 1.00 0.00 C ATOM 778 CD PRO A 51 9.549 -1.200 -2.505 1.00 0.00 C ATOM 0 HA PRO A 51 10.487 1.313 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.035 1.739 -2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.537 1.691 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.482 -0.517 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.399 -0.111 -4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.137 -2.202 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.330 -1.266 -3.262 1.00 0.00 H new ATOM 786 N TRP A 52 8.851 1.887 0.915 1.00 0.00 N ATOM 787 CA TRP A 52 8.107 2.186 2.125 1.00 0.00 C ATOM 788 C TRP A 52 7.362 3.495 1.926 1.00 0.00 C ATOM 789 O TRP A 52 7.743 4.321 1.089 1.00 0.00 O ATOM 790 CB TRP A 52 9.047 2.343 3.331 1.00 0.00 C ATOM 791 CG TRP A 52 10.019 1.240 3.606 1.00 0.00 C ATOM 792 CD1 TRP A 52 11.085 0.949 2.837 1.00 0.00 C ATOM 793 CD2 TRP A 52 10.057 0.280 4.703 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.745 -0.148 3.335 1.00 0.00 N ATOM 795 CE2 TRP A 52 11.151 -0.607 4.485 1.00 0.00 C ATOM 796 CE3 TRP A 52 9.270 0.050 5.848 1.00 0.00 C ATOM 797 CZ2 TRP A 52 11.435 -1.677 5.339 1.00 0.00 C ATOM 798 CZ3 TRP A 52 9.533 -1.029 6.707 1.00 0.00 C ATOM 799 CH2 TRP A 52 10.622 -1.887 6.466 1.00 0.00 C ATOM 0 H TRP A 52 9.489 2.636 0.646 1.00 0.00 H new ATOM 0 HA TRP A 52 7.419 1.363 2.320 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.615 3.264 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.431 2.476 4.220 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.379 1.499 1.955 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.570 -0.568 2.906 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.449 0.716 6.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.268 -2.333 5.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.894 -1.202 7.560 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.832 -2.702 7.143 1.00 0.00 H new ATOM 810 N LEU A 53 6.346 3.720 2.759 1.00 0.00 N ATOM 811 CA LEU A 53 5.597 4.958 2.799 1.00 0.00 C ATOM 812 C LEU A 53 5.804 5.603 4.165 1.00 0.00 C ATOM 813 O LEU A 53 5.152 5.210 5.138 1.00 0.00 O ATOM 814 CB LEU A 53 4.114 4.689 2.465 1.00 0.00 C ATOM 815 CG LEU A 53 3.380 5.945 1.967 1.00 0.00 C ATOM 816 CD1 LEU A 53 3.778 6.241 0.518 1.00 0.00 C ATOM 817 CD2 LEU A 53 1.862 5.738 2.007 1.00 0.00 C ATOM 0 H LEU A 53 6.021 3.028 3.434 1.00 0.00 H new ATOM 0 HA LEU A 53 5.953 5.660 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.053 3.912 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.610 4.306 3.352 1.00 0.00 H new ATOM 0 HG LEU A 53 3.657 6.774 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.254 7.132 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.854 6.408 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.510 5.394 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.362 6.639 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.593 4.897 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.550 5.531 3.031 1.00 0.00 H new ATOM 829 N LEU A 54 6.746 6.545 4.303 1.00 0.00 N ATOM 830 CA LEU A 54 6.862 7.296 5.536 1.00 0.00 C ATOM 831 C LEU A 54 5.535 8.026 5.761 1.00 0.00 C ATOM 832 O LEU A 54 4.976 8.584 4.815 1.00 0.00 O ATOM 833 CB LEU A 54 8.033 8.278 5.447 1.00 0.00 C ATOM 834 CG LEU A 54 9.408 7.750 4.993 1.00 0.00 C ATOM 835 CD1 LEU A 54 9.699 6.257 5.154 1.00 0.00 C ATOM 836 CD2 LEU A 54 9.810 8.201 3.594 1.00 0.00 C ATOM 0 H LEU A 54 7.424 6.794 3.582 1.00 0.00 H new ATOM 0 HA LEU A 54 7.063 6.634 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.744 9.077 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.161 8.730 6.430 1.00 0.00 H new ATOM 0 HG LEU A 54 10.038 8.235 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.704 6.041 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.627 5.984 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.974 5.681 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.788 7.789 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.074 7.847 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.856 9.290 3.562 1.00 0.00 H new ATOM 848 N TYR A 55 4.999 8.017 6.984 1.00 0.00 N ATOM 849 CA TYR A 55 3.748 8.716 7.255 1.00 0.00 C ATOM 850 C TYR A 55 4.016 10.222 7.216 1.00 0.00 C ATOM 851 O TYR A 55 4.468 10.794 8.211 1.00 0.00 O ATOM 852 CB TYR A 55 3.128 8.286 8.595 1.00 0.00 C ATOM 853 CG TYR A 55 1.746 8.894 8.807 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.674 8.546 7.959 1.00 0.00 C ATOM 855 CD2 TYR A 55 1.539 9.855 9.815 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.588 9.154 8.102 1.00 0.00 C ATOM 857 CE2 TYR A 55 0.277 10.462 9.969 1.00 0.00 C ATOM 858 CZ TYR A 55 -0.791 10.116 9.113 1.00 0.00 C ATOM 859 OH TYR A 55 -2.016 10.683 9.289 1.00 0.00 O ATOM 0 H TYR A 55 5.407 7.540 7.789 1.00 0.00 H new ATOM 0 HA TYR A 55 3.018 8.455 6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.055 7.199 8.628 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.785 8.586 9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.823 7.803 7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.351 10.128 10.473 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.398 8.885 7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.126 11.196 10.746 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.977 11.323 10.030 1.00 0.00 H new ATOM 869 N LEU A 56 3.806 10.867 6.066 1.00 0.00 N ATOM 870 CA LEU A 56 4.047 12.295 5.905 1.00 0.00 C ATOM 871 C LEU A 56 2.995 12.880 4.950 1.00 0.00 C ATOM 872 O LEU A 56 3.316 13.158 3.792 1.00 0.00 O ATOM 873 CB LEU A 56 5.497 12.529 5.432 1.00 0.00 C ATOM 874 CG LEU A 56 6.149 13.836 5.914 1.00 0.00 C ATOM 875 CD1 LEU A 56 5.202 15.037 5.987 1.00 0.00 C ATOM 876 CD2 LEU A 56 6.787 13.658 7.288 1.00 0.00 C ATOM 0 H LEU A 56 3.463 10.409 5.221 1.00 0.00 H new ATOM 0 HA LEU A 56 3.943 12.816 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.110 11.693 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.511 12.517 4.342 1.00 0.00 H new ATOM 0 HG LEU A 56 6.898 14.054 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.750 15.912 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.792 15.237 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.389 14.818 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.240 14.598 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.024 13.364 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.554 12.885 7.236 1.00 0.00 H new ATOM 888 N PRO A 57 1.741 13.052 5.403 1.00 0.00 N ATOM 889 CA PRO A 57 0.685 13.606 4.571 1.00 0.00 C ATOM 890 C PRO A 57 1.081 15.015 4.117 1.00 0.00 C ATOM 891 O PRO A 57 1.354 15.893 4.943 1.00 0.00 O ATOM 892 CB PRO A 57 -0.596 13.562 5.410 1.00 0.00 C ATOM 893 CG PRO A 57 -0.100 13.482 6.851 1.00 0.00 C ATOM 894 CD PRO A 57 1.243 12.765 6.741 1.00 0.00 C ATOM 0 HA PRO A 57 0.520 13.039 3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.208 14.449 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.211 12.700 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.012 14.473 7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.796 12.930 7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.939 13.120 7.501 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.126 11.692 6.892 1.00 0.00 H new ATOM 902 N GLY A 58 1.157 15.207 2.802 1.00 0.00 N ATOM 903 CA GLY A 58 1.462 16.452 2.117 1.00 0.00 C ATOM 904 C GLY A 58 2.873 16.518 1.534 1.00 0.00 C ATOM 905 O GLY A 58 3.203 17.526 0.915 1.00 0.00 O ATOM 0 H GLY A 58 0.995 14.442 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.741 16.596 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.330 17.279 2.815 1.00 0.00 H new ATOM 909 N LYS A 59 3.728 15.505 1.702 1.00 0.00 N ATOM 910 CA LYS A 59 5.059 15.425 1.098 1.00 0.00 C ATOM 911 C LYS A 59 5.044 14.302 0.075 1.00 0.00 C ATOM 912 O LYS A 59 4.207 13.415 0.170 1.00 0.00 O ATOM 913 CB LYS A 59 6.076 15.137 2.213 1.00 0.00 C ATOM 914 CG LYS A 59 6.562 16.401 2.932 1.00 0.00 C ATOM 915 CD LYS A 59 5.467 17.391 3.350 1.00 0.00 C ATOM 916 CE LYS A 59 5.876 18.323 4.487 1.00 0.00 C ATOM 917 NZ LYS A 59 4.936 19.455 4.580 1.00 0.00 N ATOM 0 H LYS A 59 3.505 14.694 2.280 1.00 0.00 H new ATOM 0 HA LYS A 59 5.334 16.356 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.625 14.464 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.934 14.617 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.114 16.101 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.266 16.919 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.185 17.991 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.582 16.832 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.891 17.775 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.887 18.693 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.224 20.083 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.942 19.986 3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.977 19.096 4.763 1.00 0.00 H new ATOM 931 N GLY A 60 5.986 14.277 -0.861 1.00 0.00 N ATOM 932 CA GLY A 60 5.927 13.303 -1.945 1.00 0.00 C ATOM 933 C GLY A 60 4.792 13.662 -2.899 1.00 0.00 C ATOM 934 O GLY A 60 4.603 14.844 -3.191 1.00 0.00 O ATOM 0 H GLY A 60 6.787 14.908 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.875 13.285 -2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.772 12.303 -1.540 1.00 0.00 H new ATOM 938 N HIS A 61 4.085 12.664 -3.431 1.00 0.00 N ATOM 939 CA HIS A 61 3.093 12.828 -4.497 1.00 0.00 C ATOM 940 C HIS A 61 1.884 11.911 -4.241 1.00 0.00 C ATOM 941 O HIS A 61 1.872 11.189 -3.241 1.00 0.00 O ATOM 942 CB HIS A 61 3.753 12.545 -5.855 1.00 0.00 C ATOM 943 CG HIS A 61 4.961 13.404 -6.161 1.00 0.00 C ATOM 944 ND1 HIS A 61 4.943 14.673 -6.694 1.00 0.00 N ATOM 945 CD2 HIS A 61 6.271 13.063 -5.955 1.00 0.00 C ATOM 946 CE1 HIS A 61 6.215 15.092 -6.800 1.00 0.00 C ATOM 947 NE2 HIS A 61 7.065 14.152 -6.344 1.00 0.00 N ATOM 0 H HIS A 61 4.188 11.696 -3.126 1.00 0.00 H new ATOM 0 HA HIS A 61 2.724 13.854 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.051 11.497 -5.888 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.012 12.690 -6.641 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.629 12.123 -5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.515 16.051 -7.196 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.081 14.219 -6.292 1.00 0.00 H new ATOM 955 N CYS A 62 0.850 11.949 -5.094 1.00 0.00 N ATOM 956 CA CYS A 62 -0.359 11.135 -4.936 1.00 0.00 C ATOM 957 C CYS A 62 -0.105 9.695 -5.345 1.00 0.00 C ATOM 958 O CYS A 62 0.021 9.411 -6.538 1.00 0.00 O ATOM 959 CB CYS A 62 -1.543 11.683 -5.758 1.00 0.00 C ATOM 960 SG CYS A 62 -1.975 13.391 -5.326 1.00 0.00 S ATOM 0 H CYS A 62 0.831 12.550 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.619 11.179 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.296 11.634 -6.818 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.412 11.044 -5.603 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.975 13.784 -6.057 1.00 0.00 H new ATOM 966 N VAL A 63 -0.079 8.772 -4.381 1.00 0.00 N ATOM 967 CA VAL A 63 0.045 7.370 -4.708 1.00 0.00 C ATOM 968 C VAL A 63 -1.321 6.922 -5.237 1.00 0.00 C ATOM 969 O VAL A 63 -2.319 6.876 -4.501 1.00 0.00 O ATOM 970 CB VAL A 63 0.569 6.566 -3.512 1.00 0.00 C ATOM 971 CG1 VAL A 63 0.877 5.131 -3.953 1.00 0.00 C ATOM 972 CG2 VAL A 63 1.841 7.143 -2.874 1.00 0.00 C ATOM 0 H VAL A 63 -0.142 8.977 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 63 0.790 7.190 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.221 6.608 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.249 4.561 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.032 4.664 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.633 5.146 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.145 6.515 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.640 7.170 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.643 8.154 -2.517 1.00 0.00 H new ATOM 982 N THR A 64 -1.409 6.661 -6.539 1.00 0.00 N ATOM 983 CA THR A 64 -2.624 6.113 -7.130 1.00 0.00 C ATOM 984 C THR A 64 -2.773 4.642 -6.712 1.00 0.00 C ATOM 985 O THR A 64 -1.801 4.002 -6.285 1.00 0.00 O ATOM 986 CB THR A 64 -2.610 6.308 -8.653 1.00 0.00 C ATOM 987 OG1 THR A 64 -1.455 5.725 -9.236 1.00 0.00 O ATOM 988 CG2 THR A 64 -2.637 7.788 -9.035 1.00 0.00 C ATOM 0 H THR A 64 -0.652 6.821 -7.204 1.00 0.00 H new ATOM 0 HA THR A 64 -3.500 6.647 -6.761 1.00 0.00 H new ATOM 0 HB THR A 64 -3.507 5.818 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.473 5.863 -10.206 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.626 7.884 -10.121 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.542 8.250 -8.639 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.763 8.287 -8.618 1.00 0.00 H new ATOM 996 N GLY A 65 -3.987 4.097 -6.820 1.00 0.00 N ATOM 997 CA GLY A 65 -4.272 2.742 -6.378 1.00 0.00 C ATOM 998 C GLY A 65 -5.755 2.422 -6.491 1.00 0.00 C ATOM 999 O GLY A 65 -6.489 3.025 -7.277 1.00 0.00 O ATOM 0 H GLY A 65 -4.792 4.584 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.699 2.034 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.949 2.619 -5.344 1.00 0.00 H new ATOM 1003 N GLU A 66 -6.203 1.441 -5.721 1.00 0.00 N ATOM 1004 CA GLU A 66 -7.584 0.997 -5.649 1.00 0.00 C ATOM 1005 C GLU A 66 -7.948 0.817 -4.184 1.00 0.00 C ATOM 1006 O GLU A 66 -7.067 0.649 -3.329 1.00 0.00 O ATOM 1007 CB GLU A 66 -7.754 -0.301 -6.448 1.00 0.00 C ATOM 1008 CG GLU A 66 -8.111 0.006 -7.906 1.00 0.00 C ATOM 1009 CD GLU A 66 -7.569 -1.026 -8.889 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -7.479 -2.228 -8.549 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -7.124 -0.589 -9.977 1.00 0.00 O ATOM 0 H GLU A 66 -5.587 0.912 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.256 1.734 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.833 -0.882 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.536 -0.912 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.195 0.057 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.720 0.989 -8.169 1.00 0.00 H new ATOM 1018 N ILE A 67 -9.248 0.897 -3.922 1.00 0.00 N ATOM 1019 CA ILE A 67 -9.840 0.838 -2.607 1.00 0.00 C ATOM 1020 C ILE A 67 -10.431 -0.563 -2.517 1.00 0.00 C ATOM 1021 O ILE A 67 -11.190 -0.979 -3.398 1.00 0.00 O ATOM 1022 CB ILE A 67 -10.955 1.897 -2.444 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -10.693 3.279 -3.088 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -11.251 2.058 -0.943 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -12.005 4.047 -3.302 1.00 0.00 C ATOM 0 H ILE A 67 -9.943 1.010 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.108 1.041 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.810 1.513 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.028 3.861 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.185 3.148 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.036 2.802 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.579 1.103 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.348 2.384 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.790 5.014 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.659 3.474 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.499 4.198 -2.342 1.00 0.00 H new ATOM 1037 N TYR A 68 -10.100 -1.290 -1.457 1.00 0.00 N ATOM 1038 CA TYR A 68 -10.720 -2.572 -1.194 1.00 0.00 C ATOM 1039 C TYR A 68 -11.347 -2.521 0.181 1.00 0.00 C ATOM 1040 O TYR A 68 -10.683 -2.174 1.158 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.723 -3.719 -1.361 1.00 0.00 C ATOM 1042 CG TYR A 68 -9.196 -3.813 -2.781 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -8.057 -3.083 -3.168 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -9.894 -4.572 -3.737 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -7.596 -3.141 -4.495 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -9.447 -4.618 -5.067 1.00 0.00 C ATOM 1047 CZ TYR A 68 -8.280 -3.925 -5.452 1.00 0.00 C ATOM 1048 OH TYR A 68 -7.785 -4.113 -6.707 1.00 0.00 O ATOM 0 H TYR A 68 -9.403 -1.008 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.505 -2.771 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.889 -3.577 -0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.203 -4.659 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.535 -2.476 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.777 -5.122 -3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.717 -2.585 -4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.000 -5.187 -5.800 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.597 -3.244 -7.118 1.00 0.00 H new ATOM 1058 N GLU A 69 -12.629 -2.859 0.257 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.172 -3.342 1.504 1.00 0.00 C ATOM 1060 C GLU A 69 -12.543 -4.704 1.786 1.00 0.00 C ATOM 1061 O GLU A 69 -12.191 -5.435 0.857 1.00 0.00 O ATOM 1062 CB GLU A 69 -14.673 -3.416 1.381 1.00 0.00 C ATOM 1063 CG GLU A 69 -15.347 -3.867 2.664 1.00 0.00 C ATOM 1064 CD GLU A 69 -15.111 -3.108 3.974 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -13.958 -2.983 4.431 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -16.132 -2.785 4.630 1.00 0.00 O ATOM 0 H GLU A 69 -13.293 -2.807 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.945 -2.677 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.058 -2.436 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.934 -4.105 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.421 -3.866 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.054 -4.903 2.835 1.00 0.00 H new ATOM 1073 N VAL A 70 -12.415 -5.054 3.056 1.00 0.00 N ATOM 1074 CA VAL A 70 -11.852 -6.314 3.517 1.00 0.00 C ATOM 1075 C VAL A 70 -12.609 -6.733 4.772 1.00 0.00 C ATOM 1076 O VAL A 70 -13.249 -5.893 5.419 1.00 0.00 O ATOM 1077 CB VAL A 70 -10.336 -6.137 3.770 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.542 -5.914 2.474 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -9.988 -5.001 4.744 1.00 0.00 C ATOM 0 H VAL A 70 -12.710 -4.448 3.821 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.959 -7.101 2.770 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.046 -7.082 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.485 -5.796 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.673 -6.772 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.905 -5.015 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.906 -4.945 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.358 -4.056 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.452 -5.196 5.711 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.502 -8.006 5.157 1.00 0.00 N ATOM 1090 CA ASP A 71 -12.992 -8.447 6.460 1.00 0.00 C ATOM 1091 C ASP A 71 -11.806 -8.684 7.384 1.00 0.00 C ATOM 1092 O ASP A 71 -10.642 -8.566 6.996 1.00 0.00 O ATOM 1093 CB ASP A 71 -14.014 -9.602 6.394 1.00 0.00 C ATOM 1094 CG ASP A 71 -15.442 -9.171 6.037 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -15.667 -8.056 5.515 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -16.390 -9.944 6.300 1.00 0.00 O ATOM 0 H ASP A 71 -12.084 -8.743 4.589 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.593 -7.648 6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.673 -10.330 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.032 -10.109 7.359 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.124 -8.914 8.653 1.00 0.00 N ATOM 1102 CA GLU A 72 -11.208 -8.841 9.775 1.00 0.00 C ATOM 1103 C GLU A 72 -10.025 -9.789 9.618 1.00 0.00 C ATOM 1104 O GLU A 72 -8.933 -9.427 10.050 1.00 0.00 O ATOM 1105 CB GLU A 72 -11.995 -9.074 11.084 1.00 0.00 C ATOM 1106 CG GLU A 72 -12.285 -7.776 11.844 1.00 0.00 C ATOM 1107 CD GLU A 72 -13.750 -7.585 12.271 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -14.229 -8.301 13.182 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.416 -6.706 11.666 1.00 0.00 O ATOM 0 H GLU A 72 -13.071 -9.167 8.936 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.767 -7.845 9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.937 -9.572 10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.429 -9.747 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.656 -7.746 12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.992 -6.933 11.218 1.00 0.00 H new ATOM 1116 N GLN A 73 -10.190 -10.952 8.976 1.00 0.00 N ATOM 1117 CA GLN A 73 -9.051 -11.829 8.760 1.00 0.00 C ATOM 1118 C GLN A 73 -8.085 -11.230 7.742 1.00 0.00 C ATOM 1119 O GLN A 73 -6.889 -11.315 7.985 1.00 0.00 O ATOM 1120 CB GLN A 73 -9.475 -13.262 8.408 1.00 0.00 C ATOM 1121 CG GLN A 73 -8.312 -14.272 8.395 1.00 0.00 C ATOM 1122 CD GLN A 73 -7.461 -14.328 9.667 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -6.269 -14.614 9.617 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -8.021 -14.092 10.840 1.00 0.00 N ATOM 0 H GLN A 73 -11.078 -11.294 8.609 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.512 -11.908 9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.225 -13.595 9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.952 -13.259 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.721 -15.265 8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.660 -14.035 7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.011 -13.853 10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.463 -14.148 11.692 1.00 0.00 H new ATOM 1133 N MET A 74 -8.550 -10.572 6.669 1.00 0.00 N ATOM 1134 CA MET A 74 -7.628 -9.973 5.705 1.00 0.00 C ATOM 1135 C MET A 74 -6.859 -8.845 6.382 1.00 0.00 C ATOM 1136 O MET A 74 -5.637 -8.757 6.265 1.00 0.00 O ATOM 1137 CB MET A 74 -8.410 -9.485 4.484 1.00 0.00 C ATOM 1138 CG MET A 74 -7.609 -8.614 3.506 1.00 0.00 C ATOM 1139 SD MET A 74 -6.167 -9.392 2.743 1.00 0.00 S ATOM 1140 CE MET A 74 -7.031 -10.619 1.749 1.00 0.00 C ATOM 0 H MET A 74 -9.539 -10.445 6.453 1.00 0.00 H new ATOM 0 HA MET A 74 -6.904 -10.711 5.358 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.792 -10.352 3.946 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.275 -8.917 4.828 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.280 -8.283 2.713 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.277 -7.721 4.035 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.304 -11.258 1.247 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.666 -11.227 2.393 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.647 -10.115 1.004 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.562 -7.969 7.105 1.00 0.00 N ATOM 1151 CA LEU A 75 -6.883 -6.866 7.783 1.00 0.00 C ATOM 1152 C LEU A 75 -5.912 -7.365 8.869 1.00 0.00 C ATOM 1153 O LEU A 75 -4.894 -6.720 9.106 1.00 0.00 O ATOM 1154 CB LEU A 75 -7.894 -5.835 8.323 1.00 0.00 C ATOM 1155 CG LEU A 75 -7.533 -4.396 7.889 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -8.625 -3.409 8.308 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -6.207 -3.903 8.472 1.00 0.00 C ATOM 0 H LEU A 75 -8.573 -8.000 7.233 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.270 -6.353 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.893 -6.083 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.923 -5.890 9.411 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.440 -4.438 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.348 -2.404 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.568 -3.690 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.738 -3.430 9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.014 -2.887 8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.262 -3.913 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.399 -4.557 8.143 1.00 0.00 H new ATOM 1169 N ARG A 76 -6.192 -8.492 9.537 1.00 0.00 N ATOM 1170 CA ARG A 76 -5.230 -9.150 10.437 1.00 0.00 C ATOM 1171 C ARG A 76 -4.053 -9.742 9.669 1.00 0.00 C ATOM 1172 O ARG A 76 -2.916 -9.592 10.110 1.00 0.00 O ATOM 1173 CB ARG A 76 -5.896 -10.259 11.258 1.00 0.00 C ATOM 1174 CG ARG A 76 -6.685 -9.679 12.434 1.00 0.00 C ATOM 1175 CD ARG A 76 -7.170 -10.825 13.311 1.00 0.00 C ATOM 1176 NE ARG A 76 -8.368 -10.436 14.063 1.00 0.00 N ATOM 1177 CZ ARG A 76 -9.143 -11.261 14.770 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -8.841 -12.545 14.929 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -10.266 -10.788 15.287 1.00 0.00 N ATOM 0 H ARG A 76 -7.089 -8.974 9.470 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.862 -8.376 11.111 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.563 -10.837 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.136 -10.946 11.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.057 -9.001 13.012 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.532 -9.097 12.070 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.391 -11.694 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.380 -11.118 14.003 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.631 -9.451 14.044 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.996 -12.926 14.505 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.455 -13.149 15.476 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.523 -9.812 15.141 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.874 -11.400 15.831 1.00 0.00 H new ATOM 1193 N PHE A 77 -4.311 -10.428 8.563 1.00 0.00 N ATOM 1194 CA PHE A 77 -3.294 -11.098 7.777 1.00 0.00 C ATOM 1195 C PHE A 77 -2.276 -10.086 7.268 1.00 0.00 C ATOM 1196 O PHE A 77 -1.080 -10.287 7.441 1.00 0.00 O ATOM 1197 CB PHE A 77 -3.957 -11.858 6.627 1.00 0.00 C ATOM 1198 CG PHE A 77 -2.962 -12.362 5.609 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -2.265 -13.557 5.843 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -2.688 -11.600 4.457 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -1.337 -14.018 4.896 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -1.707 -12.028 3.549 1.00 0.00 C ATOM 1203 CZ PHE A 77 -1.047 -13.252 3.753 1.00 0.00 C ATOM 0 H PHE A 77 -5.252 -10.534 8.184 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.761 -11.818 8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.517 -12.702 7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.677 -11.205 6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.442 -14.120 6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.233 -10.686 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.843 -14.967 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.459 -11.417 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.320 -13.603 3.035 1.00 0.00 H new ATOM 1213 N LEU A 78 -2.734 -8.994 6.652 1.00 0.00 N ATOM 1214 CA LEU A 78 -1.853 -7.998 6.048 1.00 0.00 C ATOM 1215 C LEU A 78 -0.947 -7.342 7.100 1.00 0.00 C ATOM 1216 O LEU A 78 0.209 -7.044 6.807 1.00 0.00 O ATOM 1217 CB LEU A 78 -2.688 -6.932 5.327 1.00 0.00 C ATOM 1218 CG LEU A 78 -3.471 -7.416 4.094 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -4.462 -6.315 3.693 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -2.567 -7.770 2.906 1.00 0.00 C ATOM 0 H LEU A 78 -3.726 -8.777 6.559 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.212 -8.504 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.395 -6.508 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.024 -6.125 5.018 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.990 -8.336 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.029 -6.637 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.146 -6.123 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.915 -5.403 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.180 -8.104 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.996 -6.891 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.882 -8.567 3.195 1.00 0.00 H new ATOM 1232 N ASP A 79 -1.468 -7.123 8.314 1.00 0.00 N ATOM 1233 CA ASP A 79 -0.738 -6.660 9.505 1.00 0.00 C ATOM 1234 C ASP A 79 0.486 -7.557 9.712 1.00 0.00 C ATOM 1235 O ASP A 79 1.619 -7.085 9.728 1.00 0.00 O ATOM 1236 CB ASP A 79 -1.709 -6.732 10.706 1.00 0.00 C ATOM 1237 CG ASP A 79 -1.429 -5.757 11.839 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -1.850 -4.583 11.703 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -0.925 -6.182 12.904 1.00 0.00 O ATOM 0 H ASP A 79 -2.459 -7.271 8.503 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.386 -5.634 9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.721 -6.557 10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.686 -7.745 11.108 1.00 0.00 H new ATOM 1244 N ASP A 80 0.253 -8.865 9.791 1.00 0.00 N ATOM 1245 CA ASP A 80 1.278 -9.869 10.048 1.00 0.00 C ATOM 1246 C ASP A 80 2.252 -10.018 8.876 1.00 0.00 C ATOM 1247 O ASP A 80 3.464 -10.138 9.077 1.00 0.00 O ATOM 1248 CB ASP A 80 0.569 -11.199 10.329 1.00 0.00 C ATOM 1249 CG ASP A 80 1.538 -12.256 10.831 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.258 -12.865 10.018 1.00 0.00 O ATOM 1251 OD2 ASP A 80 1.496 -12.562 12.046 1.00 0.00 O ATOM 0 H ASP A 80 -0.678 -9.264 9.675 1.00 0.00 H new ATOM 0 HA ASP A 80 1.876 -9.557 10.904 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.216 -11.044 11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.084 -11.552 9.419 1.00 0.00 H new ATOM 1256 N PHE A 81 1.713 -9.996 7.654 1.00 0.00 N ATOM 1257 CA PHE A 81 2.402 -10.352 6.428 1.00 0.00 C ATOM 1258 C PHE A 81 3.601 -9.436 6.195 1.00 0.00 C ATOM 1259 O PHE A 81 4.716 -9.930 6.005 1.00 0.00 O ATOM 1260 CB PHE A 81 1.420 -10.331 5.238 1.00 0.00 C ATOM 1261 CG PHE A 81 2.069 -10.447 3.864 1.00 0.00 C ATOM 1262 CD1 PHE A 81 3.171 -11.303 3.670 1.00 0.00 C ATOM 1263 CD2 PHE A 81 1.621 -9.648 2.791 1.00 0.00 C ATOM 1264 CE1 PHE A 81 3.882 -11.277 2.462 1.00 0.00 C ATOM 1265 CE2 PHE A 81 2.303 -9.673 1.561 1.00 0.00 C ATOM 1266 CZ PHE A 81 3.457 -10.456 1.410 1.00 0.00 C ATOM 0 H PHE A 81 0.745 -9.717 7.494 1.00 0.00 H new ATOM 0 HA PHE A 81 2.787 -11.367 6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.710 -11.149 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.847 -9.404 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.469 -11.982 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.754 -9.017 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.761 -11.893 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.937 -9.088 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.016 -10.426 0.486 1.00 0.00 H new ATOM 1276 N GLU A 82 3.394 -8.115 6.207 1.00 0.00 N ATOM 1277 CA GLU A 82 4.475 -7.156 5.940 1.00 0.00 C ATOM 1278 C GLU A 82 5.432 -7.036 7.135 1.00 0.00 C ATOM 1279 O GLU A 82 6.437 -6.340 7.036 1.00 0.00 O ATOM 1280 CB GLU A 82 3.942 -5.754 5.611 1.00 0.00 C ATOM 1281 CG GLU A 82 2.775 -5.666 4.620 1.00 0.00 C ATOM 1282 CD GLU A 82 3.102 -6.123 3.199 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.263 -6.044 2.728 1.00 0.00 O ATOM 1284 OE2 GLU A 82 2.140 -6.441 2.462 1.00 0.00 O ATOM 0 H GLU A 82 2.489 -7.684 6.398 1.00 0.00 H new ATOM 0 HA GLU A 82 5.008 -7.549 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.631 -5.283 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.767 -5.162 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.949 -6.268 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.426 -4.634 4.583 1.00 0.00 H new ATOM 1291 N ASP A 83 5.111 -7.699 8.246 1.00 0.00 N ATOM 1292 CA ASP A 83 5.770 -7.679 9.545 1.00 0.00 C ATOM 1293 C ASP A 83 5.503 -6.409 10.352 1.00 0.00 C ATOM 1294 O ASP A 83 6.318 -6.035 11.198 1.00 0.00 O ATOM 1295 CB ASP A 83 7.286 -7.966 9.498 1.00 0.00 C ATOM 1296 CG ASP A 83 7.764 -8.659 10.786 1.00 0.00 C ATOM 1297 OD1 ASP A 83 6.930 -9.234 11.533 1.00 0.00 O ATOM 1298 OD2 ASP A 83 8.983 -8.618 11.059 1.00 0.00 O ATOM 0 H ASP A 83 4.304 -8.323 8.256 1.00 0.00 H new ATOM 0 HA ASP A 83 5.301 -8.514 10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.512 -8.596 8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.831 -7.032 9.361 1.00 0.00 H new ATOM 1303 N CYS A 84 4.393 -5.696 10.137 1.00 0.00 N ATOM 1304 CA CYS A 84 4.014 -4.696 11.121 1.00 0.00 C ATOM 1305 C CYS A 84 3.735 -5.412 12.464 1.00 0.00 C ATOM 1306 O CYS A 84 3.522 -6.629 12.492 1.00 0.00 O ATOM 1307 CB CYS A 84 2.854 -3.850 10.580 1.00 0.00 C ATOM 1308 SG CYS A 84 1.245 -4.363 11.166 1.00 0.00 S ATOM 0 H CYS A 84 3.774 -5.788 9.332 1.00 0.00 H new ATOM 0 HA CYS A 84 4.817 -3.984 11.313 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.016 -2.809 10.859 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.863 -3.893 9.491 1.00 0.00 H new ATOM 0 HG CYS A 84 0.333 -3.578 10.673 1.00 0.00 H new ATOM 1314 N PRO A 85 3.731 -4.701 13.600 1.00 0.00 N ATOM 1315 CA PRO A 85 4.212 -3.337 13.776 1.00 0.00 C ATOM 1316 C PRO A 85 5.756 -3.229 13.729 1.00 0.00 C ATOM 1317 O PRO A 85 6.298 -2.132 13.879 1.00 0.00 O ATOM 1318 CB PRO A 85 3.644 -2.899 15.130 1.00 0.00 C ATOM 1319 CG PRO A 85 3.583 -4.205 15.921 1.00 0.00 C ATOM 1320 CD PRO A 85 3.270 -5.255 14.861 1.00 0.00 C ATOM 0 HA PRO A 85 3.883 -2.692 12.962 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.284 -2.163 15.616 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.659 -2.445 15.026 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.527 -4.413 16.424 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.812 -4.171 16.691 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.775 -6.195 15.082 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.202 -5.468 14.826 1.00 0.00 H new ATOM 1328 N SER A 86 6.469 -4.356 13.618 1.00 0.00 N ATOM 1329 CA SER A 86 7.922 -4.469 13.650 1.00 0.00 C ATOM 1330 C SER A 86 8.564 -3.642 12.531 1.00 0.00 C ATOM 1331 O SER A 86 9.361 -2.742 12.808 1.00 0.00 O ATOM 1332 CB SER A 86 8.288 -5.960 13.546 1.00 0.00 C ATOM 1333 OG SER A 86 9.425 -6.297 14.308 1.00 0.00 O ATOM 0 H SER A 86 6.016 -5.262 13.497 1.00 0.00 H new ATOM 0 HA SER A 86 8.310 -4.067 14.586 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.442 -6.561 13.879 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.468 -6.213 12.501 1.00 0.00 H new ATOM 0 HG SER A 86 9.613 -7.254 14.209 1.00 0.00 H new ATOM 1339 N MET A 87 8.223 -3.950 11.276 1.00 0.00 N ATOM 1340 CA MET A 87 8.696 -3.253 10.092 1.00 0.00 C ATOM 1341 C MET A 87 7.830 -2.008 9.886 1.00 0.00 C ATOM 1342 O MET A 87 8.275 -0.892 10.165 1.00 0.00 O ATOM 1343 CB MET A 87 8.674 -4.193 8.867 1.00 0.00 C ATOM 1344 CG MET A 87 9.762 -5.273 8.932 1.00 0.00 C ATOM 1345 SD MET A 87 9.887 -6.470 7.566 1.00 0.00 S ATOM 1346 CE MET A 87 9.482 -5.451 6.124 1.00 0.00 C ATOM 0 H MET A 87 7.589 -4.718 11.057 1.00 0.00 H new ATOM 0 HA MET A 87 9.732 -2.939 10.221 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.697 -4.671 8.798 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.806 -3.604 7.959 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.724 -4.768 9.018 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.614 -5.837 9.853 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.505 -6.067 5.225 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.486 -5.026 6.247 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.211 -4.646 6.031 1.00 0.00 H new ATOM 1356 N TYR A 88 6.615 -2.195 9.370 1.00 0.00 N ATOM 1357 CA TYR A 88 5.649 -1.139 9.081 1.00 0.00 C ATOM 1358 C TYR A 88 4.776 -0.870 10.304 1.00 0.00 C ATOM 1359 O TYR A 88 4.954 -1.494 11.345 1.00 0.00 O ATOM 1360 CB TYR A 88 4.790 -1.571 7.884 1.00 0.00 C ATOM 1361 CG TYR A 88 5.568 -1.643 6.592 1.00 0.00 C ATOM 1362 CD1 TYR A 88 5.742 -0.482 5.815 1.00 0.00 C ATOM 1363 CD2 TYR A 88 6.121 -2.864 6.170 1.00 0.00 C ATOM 1364 CE1 TYR A 88 6.431 -0.544 4.594 1.00 0.00 C ATOM 1365 CE2 TYR A 88 6.795 -2.938 4.943 1.00 0.00 C ATOM 1366 CZ TYR A 88 6.925 -1.785 4.140 1.00 0.00 C ATOM 1367 OH TYR A 88 7.429 -1.890 2.888 1.00 0.00 O ATOM 0 H TYR A 88 6.265 -3.123 9.133 1.00 0.00 H new ATOM 0 HA TYR A 88 6.173 -0.215 8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.352 -2.547 8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.964 -0.870 7.765 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.343 0.461 6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.027 -3.744 6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.582 0.350 4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 88 7.214 -3.877 4.613 1.00 0.00 H new ATOM 0 HH TYR A 88 7.381 -1.019 2.442 1.00 0.00 H new ATOM 1377 N GLN A 89 3.810 0.033 10.177 1.00 0.00 N ATOM 1378 CA GLN A 89 2.622 0.185 11.004 1.00 0.00 C ATOM 1379 C GLN A 89 1.450 0.477 10.047 1.00 0.00 C ATOM 1380 O GLN A 89 1.654 0.625 8.842 1.00 0.00 O ATOM 1381 CB GLN A 89 2.808 1.322 12.023 1.00 0.00 C ATOM 1382 CG GLN A 89 4.026 1.214 12.959 1.00 0.00 C ATOM 1383 CD GLN A 89 5.305 1.846 12.393 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.377 3.064 12.190 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.354 1.069 12.182 1.00 0.00 N ATOM 0 H GLN A 89 3.841 0.732 9.434 1.00 0.00 H new ATOM 0 HA GLN A 89 2.428 -0.719 11.582 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.881 2.262 11.476 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.910 1.380 12.638 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.786 1.693 13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.216 0.162 13.172 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.288 0.065 12.351 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.230 1.473 11.850 1.00 0.00 H new ATOM 1394 N ARG A 90 0.222 0.592 10.549 1.00 0.00 N ATOM 1395 CA ARG A 90 -0.991 0.885 9.775 1.00 0.00 C ATOM 1396 C ARG A 90 -1.566 2.203 10.266 1.00 0.00 C ATOM 1397 O ARG A 90 -1.829 2.322 11.466 1.00 0.00 O ATOM 1398 CB ARG A 90 -1.959 -0.300 9.938 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.399 -0.096 9.409 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.447 0.260 10.480 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.393 -0.690 11.601 1.00 0.00 N ATOM 1402 CZ ARG A 90 -4.705 -0.456 12.875 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -5.636 0.431 13.212 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -4.068 -1.134 13.818 1.00 0.00 N ATOM 0 H ARG A 90 0.033 0.480 11.545 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.789 0.999 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.529 -1.164 9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.017 -0.549 10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.385 0.696 8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.716 -1.008 8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.270 1.271 10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.443 0.251 10.038 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.081 -1.635 11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.131 0.951 12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.856 0.591 14.195 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.356 -1.818 13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.290 -0.972 14.800 1.00 0.00 H new ATOM 1418 N THR A 91 -1.796 3.162 9.368 1.00 0.00 N ATOM 1419 CA THR A 91 -2.325 4.478 9.720 1.00 0.00 C ATOM 1420 C THR A 91 -3.573 4.783 8.884 1.00 0.00 C ATOM 1421 O THR A 91 -3.695 4.320 7.749 1.00 0.00 O ATOM 1422 CB THR A 91 -1.236 5.551 9.535 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.012 5.158 10.126 1.00 0.00 O ATOM 1424 CG2 THR A 91 -1.606 6.854 10.237 1.00 0.00 C ATOM 0 H THR A 91 -1.619 3.046 8.370 1.00 0.00 H new ATOM 0 HA THR A 91 -2.620 4.484 10.769 1.00 0.00 H new ATOM 0 HB THR A 91 -1.145 5.681 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.559 4.739 9.448 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.814 7.587 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.539 7.237 9.825 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.729 6.670 11.304 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.487 5.583 9.439 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.598 6.212 8.738 1.00 0.00 C ATOM 1434 C ALA A 92 -5.113 7.498 8.058 1.00 0.00 C ATOM 1435 O ALA A 92 -4.402 8.296 8.671 1.00 0.00 O ATOM 1436 CB ALA A 92 -6.674 6.574 9.754 1.00 0.00 C ATOM 0 H ALA A 92 -4.468 5.817 10.432 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.994 5.527 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.513 7.046 9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.018 5.670 10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.262 7.265 10.490 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.548 7.732 6.829 1.00 0.00 N ATOM 1443 CA LEU A 93 -5.195 8.847 5.948 1.00 0.00 C ATOM 1444 C LEU A 93 -6.443 9.254 5.172 1.00 0.00 C ATOM 1445 O LEU A 93 -7.544 8.837 5.537 1.00 0.00 O ATOM 1446 CB LEU A 93 -4.003 8.529 5.011 1.00 0.00 C ATOM 1447 CG LEU A 93 -4.043 7.305 4.093 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -3.754 6.112 4.969 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -5.307 7.063 3.283 1.00 0.00 C ATOM 0 H LEU A 93 -6.211 7.099 6.381 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.849 9.681 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.850 9.402 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.117 8.432 5.639 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.304 7.486 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.770 5.205 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.771 6.226 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.512 6.041 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.187 6.162 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.154 6.939 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.488 7.915 2.628 1.00 0.00 H new ATOM 1461 N GLN A 94 -6.279 10.031 4.098 1.00 0.00 N ATOM 1462 CA GLN A 94 -7.352 10.386 3.195 1.00 0.00 C ATOM 1463 C GLN A 94 -7.052 9.887 1.783 1.00 0.00 C ATOM 1464 O GLN A 94 -5.922 9.995 1.298 1.00 0.00 O ATOM 1465 CB GLN A 94 -7.505 11.915 3.213 1.00 0.00 C ATOM 1466 CG GLN A 94 -8.610 12.494 2.314 1.00 0.00 C ATOM 1467 CD GLN A 94 -9.782 13.035 3.117 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -9.866 14.238 3.343 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -10.693 12.183 3.560 1.00 0.00 N ATOM 0 H GLN A 94 -5.378 10.432 3.836 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.282 9.917 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.698 12.229 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.554 12.359 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.194 13.292 1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.965 11.720 1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.601 11.187 3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.487 12.522 4.103 1.00 0.00 H new ATOM 1478 N VAL A 95 -8.084 9.381 1.113 1.00 0.00 N ATOM 1479 CA VAL A 95 -8.051 8.965 -0.283 1.00 0.00 C ATOM 1480 C VAL A 95 -9.218 9.681 -0.976 1.00 0.00 C ATOM 1481 O VAL A 95 -10.226 9.989 -0.339 1.00 0.00 O ATOM 1482 CB VAL A 95 -8.108 7.420 -0.359 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -7.783 6.844 -1.744 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -7.104 6.765 0.600 1.00 0.00 C ATOM 0 H VAL A 95 -8.998 9.245 1.544 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.130 9.241 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.142 7.195 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.846 5.756 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.497 7.226 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.775 7.140 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.175 5.681 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.094 7.083 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.329 7.066 1.623 1.00 0.00 H new ATOM 1494 N GLN A 96 -9.072 9.987 -2.261 1.00 0.00 N ATOM 1495 CA GLN A 96 -10.096 10.481 -3.153 1.00 0.00 C ATOM 1496 C GLN A 96 -10.771 9.252 -3.720 1.00 0.00 C ATOM 1497 O GLN A 96 -10.084 8.296 -4.109 1.00 0.00 O ATOM 1498 CB GLN A 96 -9.444 11.290 -4.281 1.00 0.00 C ATOM 1499 CG GLN A 96 -10.424 11.657 -5.409 1.00 0.00 C ATOM 1500 CD GLN A 96 -9.803 12.470 -6.540 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -8.647 12.877 -6.516 1.00 0.00 O ATOM 1502 NE2 GLN A 96 -10.585 12.736 -7.566 1.00 0.00 N ATOM 0 H GLN A 96 -8.172 9.887 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.808 11.130 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.020 12.204 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.617 10.716 -4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.842 10.740 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.254 12.222 -4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.546 12.393 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.230 13.285 -8.349 1.00 0.00 H new ATOM 1511 N VAL A 97 -12.091 9.273 -3.805 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.851 8.197 -4.404 1.00 0.00 C ATOM 1513 C VAL A 97 -13.097 8.574 -5.862 1.00 0.00 C ATOM 1514 O VAL A 97 -14.004 9.335 -6.185 1.00 0.00 O ATOM 1515 CB VAL A 97 -14.007 7.778 -3.482 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -14.902 8.748 -2.775 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -14.800 6.581 -3.997 1.00 0.00 C ATOM 0 H VAL A 97 -12.665 10.042 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.334 7.241 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.351 7.534 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.638 8.201 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -14.306 9.379 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.414 9.371 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -15.599 6.344 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -15.231 6.821 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -14.137 5.721 -4.097 1.00 0.00 H new ATOM 1527 N LEU A 98 -12.174 8.116 -6.713 1.00 0.00 N ATOM 1528 CA LEU A 98 -12.184 8.343 -8.155 1.00 0.00 C ATOM 1529 C LEU A 98 -13.441 7.718 -8.741 1.00 0.00 C ATOM 1530 O LEU A 98 -14.093 8.338 -9.577 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.956 7.709 -8.847 1.00 0.00 C ATOM 1532 CG LEU A 98 -9.922 8.726 -9.349 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -8.916 9.031 -8.241 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -9.154 8.161 -10.549 1.00 0.00 C ATOM 0 H LEU A 98 -11.376 7.560 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.157 9.419 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.470 7.029 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.298 7.109 -9.690 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.452 9.632 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.184 9.753 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.439 9.445 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.406 8.113 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.425 8.895 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.638 7.248 -10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.852 7.938 -11.356 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.740 6.486 -8.323 1.00 0.00 N ATOM 1547 CA GLU A 99 -14.913 5.723 -8.709 1.00 0.00 C ATOM 1548 C GLU A 99 -15.385 4.974 -7.484 1.00 0.00 C ATOM 1549 O GLU A 99 -14.558 4.409 -6.763 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.571 4.702 -9.806 1.00 0.00 C ATOM 1551 CG GLU A 99 -14.463 5.361 -11.180 1.00 0.00 C ATOM 1552 CD GLU A 99 -13.147 5.069 -11.899 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -12.139 5.787 -11.701 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -13.085 4.104 -12.691 1.00 0.00 O ATOM 0 H GLU A 99 -13.138 5.976 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.677 6.398 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.629 4.210 -9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.337 3.927 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.290 5.020 -11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.573 6.439 -11.066 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.697 4.896 -7.308 1.00 0.00 N ATOM 1562 CA TRP A 100 -17.317 4.012 -6.341 1.00 0.00 C ATOM 1563 C TRP A 100 -18.009 2.884 -7.099 1.00 0.00 C ATOM 1564 O TRP A 100 -18.620 3.127 -8.148 1.00 0.00 O ATOM 1565 CB TRP A 100 -18.288 4.806 -5.459 1.00 0.00 C ATOM 1566 CG TRP A 100 -18.758 4.057 -4.248 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -20.025 3.702 -3.938 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -17.942 3.591 -3.136 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -20.031 2.989 -2.753 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -18.774 2.922 -2.194 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -16.576 3.696 -2.823 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -18.268 2.375 -1.003 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -16.067 3.222 -1.607 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -16.900 2.528 -0.711 1.00 0.00 C ATOM 0 H TRP A 100 -17.365 5.453 -7.841 1.00 0.00 H new ATOM 0 HA TRP A 100 -16.573 3.574 -5.676 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -17.802 5.728 -5.138 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -19.154 5.093 -6.056 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -20.899 3.939 -4.526 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -20.864 2.565 -2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -15.904 4.152 -3.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -18.918 1.846 -0.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -15.030 3.390 -1.356 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -16.491 2.114 0.199 1.00 0.00 H new ATOM 1585 N GLU A 101 -17.934 1.667 -6.560 1.00 0.00 N ATOM 1586 CA GLU A 101 -18.763 0.546 -6.955 1.00 0.00 C ATOM 1587 C GLU A 101 -19.556 0.091 -5.735 1.00 0.00 C ATOM 1588 O GLU A 101 -19.010 -0.628 -4.897 1.00 0.00 O ATOM 1589 CB GLU A 101 -17.935 -0.629 -7.491 1.00 0.00 C ATOM 1590 CG GLU A 101 -17.184 -0.294 -8.782 1.00 0.00 C ATOM 1591 CD GLU A 101 -17.137 -1.419 -9.836 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -17.527 -2.583 -9.571 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -16.772 -1.099 -10.994 1.00 0.00 O ATOM 0 H GLU A 101 -17.275 1.435 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.422 0.870 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.218 -0.938 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.594 -1.478 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -17.647 0.583 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.161 -0.018 -8.525 1.00 0.00 H new ATOM 1600 N GLY A 102 -20.830 0.462 -5.637 1.00 0.00 N ATOM 1601 CA GLY A 102 -21.773 -0.158 -4.720 1.00 0.00 C ATOM 1602 C GLY A 102 -22.699 0.843 -4.065 1.00 0.00 C ATOM 1603 O GLY A 102 -22.611 2.058 -4.254 1.00 0.00 O ATOM 0 H GLY A 102 -21.237 1.209 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.367 -0.896 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.222 -0.696 -3.948 1.00 0.00 H new ATOM 1607 N ASP A 103 -23.607 0.311 -3.256 1.00 0.00 N ATOM 1608 CA ASP A 103 -24.411 1.117 -2.356 1.00 0.00 C ATOM 1609 C ASP A 103 -23.478 1.766 -1.322 1.00 0.00 C ATOM 1610 O ASP A 103 -22.356 1.288 -1.100 1.00 0.00 O ATOM 1611 CB ASP A 103 -25.479 0.228 -1.703 1.00 0.00 C ATOM 1612 CG ASP A 103 -26.750 0.986 -1.338 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -26.668 2.160 -0.902 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -27.836 0.375 -1.454 1.00 0.00 O ATOM 0 H ASP A 103 -23.804 -0.689 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 103 -24.931 1.912 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -25.731 -0.585 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -25.064 -0.227 -0.804 1.00 0.00 H new ATOM 1619 N GLY A 104 -23.925 2.809 -0.631 1.00 0.00 N ATOM 1620 CA GLY A 104 -23.131 3.424 0.425 1.00 0.00 C ATOM 1621 C GLY A 104 -21.958 4.215 -0.135 1.00 0.00 C ATOM 1622 O GLY A 104 -20.811 3.835 0.085 1.00 0.00 O ATOM 0 H GLY A 104 -24.834 3.246 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -23.764 4.084 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -22.760 2.651 1.097 1.00 0.00 H new ATOM 1626 N ASP A 105 -22.238 5.388 -0.688 1.00 0.00 N ATOM 1627 CA ASP A 105 -21.342 6.282 -1.437 1.00 0.00 C ATOM 1628 C ASP A 105 -20.927 7.427 -0.511 1.00 0.00 C ATOM 1629 O ASP A 105 -21.756 8.299 -0.229 1.00 0.00 O ATOM 1630 CB ASP A 105 -21.939 6.898 -2.709 1.00 0.00 C ATOM 1631 CG ASP A 105 -21.057 8.078 -3.177 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -19.824 8.025 -3.011 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -21.632 9.108 -3.592 1.00 0.00 O ATOM 0 H ASP A 105 -23.178 5.779 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 105 -20.508 5.661 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.003 6.145 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.954 7.244 -2.516 1.00 0.00 H new ATOM 1638 N PRO A 106 -19.815 7.296 0.240 1.00 0.00 N ATOM 1639 CA PRO A 106 -19.370 8.327 1.161 1.00 0.00 C ATOM 1640 C PRO A 106 -19.222 9.730 0.539 1.00 0.00 C ATOM 1641 O PRO A 106 -19.425 10.697 1.274 1.00 0.00 O ATOM 1642 CB PRO A 106 -18.024 7.830 1.695 1.00 0.00 C ATOM 1643 CG PRO A 106 -17.498 6.994 0.535 1.00 0.00 C ATOM 1644 CD PRO A 106 -18.753 6.331 -0.004 1.00 0.00 C ATOM 0 HA PRO A 106 -20.123 8.467 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -17.354 8.655 1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -18.141 7.237 2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.012 7.612 -0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.764 6.260 0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -18.658 6.108 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -18.951 5.387 0.504 1.00 0.00 H new ATOM 1652 N GLY A 107 -18.908 9.884 -0.753 1.00 0.00 N ATOM 1653 CA GLY A 107 -18.665 11.193 -1.356 1.00 0.00 C ATOM 1654 C GLY A 107 -17.593 11.099 -2.436 1.00 0.00 C ATOM 1655 O GLY A 107 -17.767 10.363 -3.399 1.00 0.00 O ATOM 0 H GLY A 107 -18.816 9.105 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -19.589 11.578 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.353 11.900 -0.588 1.00 0.00 H new ATOM 1659 N ASP A 108 -16.490 11.832 -2.282 1.00 0.00 N ATOM 1660 CA ASP A 108 -15.336 11.875 -3.197 1.00 0.00 C ATOM 1661 C ASP A 108 -14.043 12.021 -2.425 1.00 0.00 C ATOM 1662 O ASP A 108 -12.970 11.993 -3.035 1.00 0.00 O ATOM 1663 CB ASP A 108 -15.401 13.058 -4.182 1.00 0.00 C ATOM 1664 CG ASP A 108 -16.777 13.446 -4.716 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -17.199 12.933 -5.775 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -17.400 14.368 -4.138 1.00 0.00 O ATOM 0 H ASP A 108 -16.365 12.445 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.369 10.936 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.971 13.931 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.762 12.824 -5.033 1.00 0.00 H new ATOM 1671 N SER A 109 -14.082 12.069 -1.099 1.00 0.00 N ATOM 1672 CA SER A 109 -12.978 11.545 -0.329 1.00 0.00 C ATOM 1673 C SER A 109 -13.483 10.637 0.782 1.00 0.00 C ATOM 1674 O SER A 109 -14.649 10.679 1.187 1.00 0.00 O ATOM 1675 CB SER A 109 -12.061 12.670 0.143 1.00 0.00 C ATOM 1676 OG SER A 109 -12.773 13.784 0.653 1.00 0.00 O ATOM 0 H SER A 109 -14.850 12.457 -0.551 1.00 0.00 H new ATOM 0 HA SER A 109 -12.356 10.914 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.393 12.288 0.915 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.435 12.995 -0.688 1.00 0.00 H new ATOM 0 HG SER A 109 -12.139 14.473 0.942 1.00 0.00 H new ATOM 1682 N VAL A 110 -12.585 9.773 1.238 1.00 0.00 N ATOM 1683 CA VAL A 110 -12.818 8.773 2.258 1.00 0.00 C ATOM 1684 C VAL A 110 -11.616 8.750 3.194 1.00 0.00 C ATOM 1685 O VAL A 110 -10.555 9.313 2.883 1.00 0.00 O ATOM 1686 CB VAL A 110 -13.117 7.400 1.613 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -14.238 7.477 0.590 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -11.901 6.783 0.923 1.00 0.00 C ATOM 0 H VAL A 110 -11.628 9.754 0.885 1.00 0.00 H new ATOM 0 HA VAL A 110 -13.700 9.020 2.849 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.414 6.768 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -14.411 6.488 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -15.149 7.828 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -13.959 8.170 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.177 5.821 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -11.554 7.449 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -11.104 6.638 1.652 1.00 0.00 H new ATOM 1698 N GLN A 111 -11.772 8.082 4.331 1.00 0.00 N ATOM 1699 CA GLN A 111 -10.656 7.665 5.156 1.00 0.00 C ATOM 1700 C GLN A 111 -10.343 6.221 4.765 1.00 0.00 C ATOM 1701 O GLN A 111 -11.204 5.354 4.930 1.00 0.00 O ATOM 1702 CB GLN A 111 -11.034 7.776 6.640 1.00 0.00 C ATOM 1703 CG GLN A 111 -9.807 7.576 7.538 1.00 0.00 C ATOM 1704 CD GLN A 111 -10.182 6.965 8.886 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -10.779 7.611 9.743 1.00 0.00 O ATOM 1706 NE2 GLN A 111 -9.826 5.716 9.132 1.00 0.00 N ATOM 0 H GLN A 111 -12.683 7.815 4.704 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.780 8.296 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -11.475 8.754 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.791 7.031 6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.089 6.929 7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.314 8.535 7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.330 5.178 8.422 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.047 5.291 10.032 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.143 5.922 4.265 1.00 0.00 N ATOM 1716 CA CYS A 112 -8.667 4.538 4.172 1.00 0.00 C ATOM 1717 C CYS A 112 -7.551 4.317 5.187 1.00 0.00 C ATOM 1718 O CYS A 112 -6.984 5.272 5.726 1.00 0.00 O ATOM 1719 CB CYS A 112 -8.164 4.181 2.768 1.00 0.00 C ATOM 1720 SG CYS A 112 -9.452 4.389 1.509 1.00 0.00 S ATOM 0 H CYS A 112 -8.483 6.618 3.918 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.514 3.886 4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -7.309 4.810 2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -7.814 3.149 2.760 1.00 0.00 H new ATOM 0 HG CYS A 112 -8.924 4.283 0.326 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.205 3.048 5.389 1.00 0.00 N ATOM 1727 CA PHE A 113 -5.970 2.629 6.031 1.00 0.00 C ATOM 1728 C PHE A 113 -4.943 2.344 4.934 1.00 0.00 C ATOM 1729 O PHE A 113 -5.308 1.810 3.882 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.245 1.388 6.889 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.306 1.620 7.949 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.035 2.469 9.039 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.586 1.048 7.813 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.045 2.760 9.972 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -9.594 1.337 8.746 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.327 2.203 9.819 1.00 0.00 C ATOM 0 H PHE A 113 -7.793 2.266 5.102 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.578 3.405 6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.559 0.569 6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.319 1.075 7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.051 2.897 9.158 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.793 0.384 6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.836 3.412 10.807 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.573 0.894 8.639 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.107 2.441 10.527 1.00 0.00 H new ATOM 1746 N VAL A 114 -3.683 2.707 5.172 1.00 0.00 N ATOM 1747 CA VAL A 114 -2.520 2.362 4.356 1.00 0.00 C ATOM 1748 C VAL A 114 -1.427 1.946 5.349 1.00 0.00 C ATOM 1749 O VAL A 114 -1.396 2.412 6.496 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.082 3.554 3.462 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -0.834 3.283 2.628 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -3.133 3.977 2.421 1.00 0.00 C ATOM 0 H VAL A 114 -3.434 3.278 5.979 1.00 0.00 H new ATOM 0 HA VAL A 114 -2.740 1.553 3.660 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.912 4.328 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.596 4.164 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.002 3.054 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -1.016 2.436 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.751 4.815 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.345 3.139 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.049 4.277 2.930 1.00 0.00 H new ATOM 1762 N TYR A 115 -0.529 1.067 4.906 1.00 0.00 N ATOM 1763 CA TYR A 115 0.649 0.684 5.670 1.00 0.00 C ATOM 1764 C TYR A 115 1.722 1.743 5.489 1.00 0.00 C ATOM 1765 O TYR A 115 1.967 2.206 4.372 1.00 0.00 O ATOM 1766 CB TYR A 115 1.137 -0.704 5.253 1.00 0.00 C ATOM 1767 CG TYR A 115 0.185 -1.769 5.746 1.00 0.00 C ATOM 1768 CD1 TYR A 115 0.153 -2.076 7.118 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -0.726 -2.382 4.868 1.00 0.00 C ATOM 1770 CE1 TYR A 115 -0.792 -2.983 7.621 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.669 -3.296 5.364 1.00 0.00 C ATOM 1772 CZ TYR A 115 -1.710 -3.594 6.746 1.00 0.00 C ATOM 1773 OH TYR A 115 -2.672 -4.417 7.243 1.00 0.00 O ATOM 0 H TYR A 115 -0.602 0.600 4.002 1.00 0.00 H new ATOM 0 HA TYR A 115 0.399 0.623 6.729 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.220 -0.756 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.133 -0.883 5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.860 -1.611 7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -0.700 -2.150 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.815 -3.212 8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.365 -3.773 4.689 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.466 -4.376 6.669 1.00 0.00 H new ATOM 1783 N THR A 116 2.344 2.146 6.587 1.00 0.00 N ATOM 1784 CA THR A 116 3.282 3.247 6.656 1.00 0.00 C ATOM 1785 C THR A 116 4.435 2.879 7.586 1.00 0.00 C ATOM 1786 O THR A 116 4.489 1.779 8.132 1.00 0.00 O ATOM 1787 CB THR A 116 2.541 4.523 7.108 1.00 0.00 C ATOM 1788 OG1 THR A 116 1.838 4.340 8.327 1.00 0.00 O ATOM 1789 CG2 THR A 116 1.527 4.977 6.055 1.00 0.00 C ATOM 0 H THR A 116 2.200 1.693 7.490 1.00 0.00 H new ATOM 0 HA THR A 116 3.710 3.448 5.674 1.00 0.00 H new ATOM 0 HB THR A 116 3.316 5.277 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.271 4.860 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.021 5.878 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.044 5.189 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.793 4.188 5.893 1.00 0.00 H new ATOM 1797 N THR A 117 5.364 3.799 7.799 1.00 0.00 N ATOM 1798 CA THR A 117 6.371 3.709 8.840 1.00 0.00 C ATOM 1799 C THR A 117 6.526 5.120 9.408 1.00 0.00 C ATOM 1800 O THR A 117 6.463 6.106 8.666 1.00 0.00 O ATOM 1801 CB THR A 117 7.666 3.067 8.281 1.00 0.00 C ATOM 1802 OG1 THR A 117 8.791 3.388 9.070 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.982 3.459 6.834 1.00 0.00 C ATOM 0 H THR A 117 5.438 4.648 7.238 1.00 0.00 H new ATOM 0 HA THR A 117 6.089 3.047 9.659 1.00 0.00 H new ATOM 0 HB THR A 117 7.466 1.996 8.310 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.751 2.891 9.914 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.903 2.969 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.163 3.147 6.186 1.00 0.00 H new ATOM 0 HG23 THR A 117 8.105 4.540 6.769 1.00 0.00 H new ATOM 1811 N ALA A 118 6.702 5.221 10.726 1.00 0.00 N ATOM 1812 CA ALA A 118 7.120 6.441 11.406 1.00 0.00 C ATOM 1813 C ALA A 118 8.608 6.357 11.807 1.00 0.00 C ATOM 1814 O ALA A 118 9.171 7.333 12.296 1.00 0.00 O ATOM 1815 CB ALA A 118 6.225 6.675 12.629 1.00 0.00 C ATOM 0 H ALA A 118 6.554 4.438 11.362 1.00 0.00 H new ATOM 0 HA ALA A 118 7.012 7.288 10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 118 6.536 7.587 13.139 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.188 6.775 12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.313 5.830 13.312 1.00 0.00 H new ATOM 1821 N THR A 119 9.253 5.207 11.603 1.00 0.00 N ATOM 1822 CA THR A 119 10.453 4.747 12.304 1.00 0.00 C ATOM 1823 C THR A 119 11.714 4.796 11.420 1.00 0.00 C ATOM 1824 O THR A 119 12.716 4.134 11.694 1.00 0.00 O ATOM 1825 CB THR A 119 10.130 3.337 12.857 1.00 0.00 C ATOM 1826 OG1 THR A 119 9.319 2.573 11.971 1.00 0.00 O ATOM 1827 CG2 THR A 119 9.325 3.457 14.149 1.00 0.00 C ATOM 0 H THR A 119 8.934 4.534 10.906 1.00 0.00 H new ATOM 0 HA THR A 119 10.702 5.416 13.128 1.00 0.00 H new ATOM 0 HB THR A 119 11.093 2.847 13.002 1.00 0.00 H new ATOM 0 HG1 THR A 119 9.145 1.692 12.364 1.00 0.00 H new ATOM 0 HG21 THR A 119 9.101 2.461 14.532 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.905 4.009 14.889 1.00 0.00 H new ATOM 0 HG23 THR A 119 8.393 3.987 13.949 1.00 0.00 H new ATOM 1835 N TYR A 120 11.655 5.554 10.326 1.00 0.00 N ATOM 1836 CA TYR A 120 12.623 5.547 9.237 1.00 0.00 C ATOM 1837 C TYR A 120 13.917 6.318 9.565 1.00 0.00 C ATOM 1838 O TYR A 120 13.959 7.139 10.489 1.00 0.00 O ATOM 1839 CB TYR A 120 11.920 6.100 7.983 1.00 0.00 C ATOM 1840 CG TYR A 120 11.074 7.348 8.216 1.00 0.00 C ATOM 1841 CD1 TYR A 120 9.717 7.233 8.583 1.00 0.00 C ATOM 1842 CD2 TYR A 120 11.645 8.626 8.089 1.00 0.00 C ATOM 1843 CE1 TYR A 120 8.950 8.380 8.856 1.00 0.00 C ATOM 1844 CE2 TYR A 120 10.883 9.778 8.367 1.00 0.00 C ATOM 1845 CZ TYR A 120 9.532 9.662 8.755 1.00 0.00 C ATOM 1846 OH TYR A 120 8.790 10.786 8.966 1.00 0.00 O ATOM 0 H TYR A 120 10.897 6.218 10.170 1.00 0.00 H new ATOM 0 HA TYR A 120 12.956 4.524 9.064 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.676 6.327 7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.282 5.319 7.568 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.263 6.256 8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 120 12.674 8.726 7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.914 8.280 9.143 1.00 0.00 H new ATOM 0 HE2 TYR A 120 11.336 10.755 8.283 1.00 0.00 H new ATOM 0 HH TYR A 120 9.357 11.578 8.855 1.00 0.00 H new ATOM 1856 N ALA A 121 14.977 6.054 8.793 1.00 0.00 N ATOM 1857 CA ALA A 121 16.283 6.718 8.833 1.00 0.00 C ATOM 1858 C ALA A 121 16.261 8.050 8.057 1.00 0.00 C ATOM 1859 O ALA A 121 15.423 8.207 7.165 1.00 0.00 O ATOM 1860 CB ALA A 121 17.314 5.761 8.221 1.00 0.00 C ATOM 0 H ALA A 121 14.943 5.326 8.080 1.00 0.00 H new ATOM 0 HA ALA A 121 16.542 6.954 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 121 18.299 6.228 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 121 17.341 4.837 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 121 17.036 5.536 7.191 1.00 0.00 H new ATOM 1866 N PRO A 122 17.182 8.998 8.331 1.00 0.00 N ATOM 1867 CA PRO A 122 17.156 10.321 7.719 1.00 0.00 C ATOM 1868 C PRO A 122 17.454 10.301 6.219 1.00 0.00 C ATOM 1869 O PRO A 122 16.878 11.095 5.480 1.00 0.00 O ATOM 1870 CB PRO A 122 18.172 11.173 8.482 1.00 0.00 C ATOM 1871 CG PRO A 122 19.142 10.145 9.052 1.00 0.00 C ATOM 1872 CD PRO A 122 18.251 8.934 9.316 1.00 0.00 C ATOM 0 HA PRO A 122 16.151 10.738 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.677 11.880 7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 122 17.696 11.756 9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 122 19.941 9.911 8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 122 19.617 10.503 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 122 18.815 8.006 9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 122 17.850 8.959 10.329 1.00 0.00 H new ATOM 1880 N GLU A 123 18.303 9.392 5.746 1.00 0.00 N ATOM 1881 CA GLU A 123 18.606 9.262 4.324 1.00 0.00 C ATOM 1882 C GLU A 123 17.366 8.987 3.479 1.00 0.00 C ATOM 1883 O GLU A 123 17.298 9.435 2.334 1.00 0.00 O ATOM 1884 CB GLU A 123 19.654 8.170 4.093 1.00 0.00 C ATOM 1885 CG GLU A 123 19.301 6.841 4.786 1.00 0.00 C ATOM 1886 CD GLU A 123 20.121 6.637 6.052 1.00 0.00 C ATOM 1887 OE1 GLU A 123 20.198 7.572 6.880 1.00 0.00 O ATOM 1888 OE2 GLU A 123 20.698 5.538 6.207 1.00 0.00 O ATOM 0 H GLU A 123 18.800 8.726 6.337 1.00 0.00 H new ATOM 0 HA GLU A 123 19.007 10.223 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.761 7.998 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.620 8.518 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.239 6.829 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.478 6.013 4.099 1.00 0.00 H new ATOM 1895 N TRP A 124 16.369 8.285 4.026 1.00 0.00 N ATOM 1896 CA TRP A 124 15.186 7.917 3.267 1.00 0.00 C ATOM 1897 C TRP A 124 14.326 9.148 2.947 1.00 0.00 C ATOM 1898 O TRP A 124 13.476 9.083 2.065 1.00 0.00 O ATOM 1899 CB TRP A 124 14.395 6.829 4.010 1.00 0.00 C ATOM 1900 CG TRP A 124 15.029 5.467 4.168 1.00 0.00 C ATOM 1901 CD1 TRP A 124 16.271 5.078 3.782 1.00 0.00 C ATOM 1902 CD2 TRP A 124 14.412 4.264 4.718 1.00 0.00 C ATOM 1903 NE1 TRP A 124 16.458 3.736 4.064 1.00 0.00 N ATOM 1904 CE2 TRP A 124 15.341 3.187 4.646 1.00 0.00 C ATOM 1905 CE3 TRP A 124 13.126 3.960 5.210 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 15.017 1.892 5.074 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 12.779 2.653 5.612 1.00 0.00 C ATOM 1908 CH2 TRP A 124 13.728 1.621 5.555 1.00 0.00 C ATOM 0 H TRP A 124 16.365 7.963 4.994 1.00 0.00 H new ATOM 0 HA TRP A 124 15.499 7.500 2.310 1.00 0.00 H new ATOM 0 HB2 TRP A 124 14.165 7.207 5.006 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.445 6.696 3.492 1.00 0.00 H new ATOM 0 HD1 TRP A 124 17.006 5.722 3.322 1.00 0.00 H new ATOM 0 HE1 TRP A 124 17.315 3.220 3.865 1.00 0.00 H new ATOM 0 HE3 TRP A 124 12.389 4.746 5.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 15.757 1.106 5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.779 2.446 5.965 1.00 0.00 H new ATOM 0 HH2 TRP A 124 13.467 0.624 5.879 1.00 0.00 H new ATOM 1919 N LEU A 125 14.556 10.288 3.609 1.00 0.00 N ATOM 1920 CA LEU A 125 13.905 11.552 3.274 1.00 0.00 C ATOM 1921 C LEU A 125 14.554 12.205 2.054 1.00 0.00 C ATOM 1922 O LEU A 125 13.967 13.129 1.491 1.00 0.00 O ATOM 1923 CB LEU A 125 13.997 12.549 4.445 1.00 0.00 C ATOM 1924 CG LEU A 125 13.164 12.249 5.698 1.00 0.00 C ATOM 1925 CD1 LEU A 125 11.676 12.140 5.393 1.00 0.00 C ATOM 1926 CD2 LEU A 125 13.609 10.996 6.441 1.00 0.00 C ATOM 0 H LEU A 125 15.202 10.356 4.395 1.00 0.00 H new ATOM 0 HA LEU A 125 12.862 11.318 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.042 12.620 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.705 13.531 4.074 1.00 0.00 H new ATOM 0 HG LEU A 125 13.338 13.107 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.131 11.927 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.321 13.080 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.509 11.335 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.975 10.847 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.526 10.133 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.645 11.110 6.759 1.00 0.00 H new ATOM 1938 N PHE A 126 15.772 11.807 1.684 1.00 0.00 N ATOM 1939 CA PHE A 126 16.550 12.466 0.639 1.00 0.00 C ATOM 1940 C PHE A 126 16.356 11.748 -0.700 1.00 0.00 C ATOM 1941 O PHE A 126 16.538 12.359 -1.754 1.00 0.00 O ATOM 1942 CB PHE A 126 18.034 12.509 1.052 1.00 0.00 C ATOM 1943 CG PHE A 126 18.352 12.980 2.472 1.00 0.00 C ATOM 1944 CD1 PHE A 126 17.475 13.810 3.205 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.534 12.530 3.089 1.00 0.00 C ATOM 1946 CE1 PHE A 126 17.745 14.122 4.550 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.816 12.860 4.426 1.00 0.00 C ATOM 1948 CZ PHE A 126 18.916 13.645 5.163 1.00 0.00 C ATOM 0 H PHE A 126 16.249 11.010 2.106 1.00 0.00 H new ATOM 0 HA PHE A 126 16.201 13.491 0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.448 11.508 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 126 18.560 13.161 0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 126 16.591 14.208 2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 126 20.232 11.925 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.051 14.729 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.727 12.509 4.887 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.122 13.881 6.196 1.00 0.00 H new ATOM 1958 N LEU A 127 15.961 10.470 -0.668 1.00 0.00 N ATOM 1959 CA LEU A 127 15.683 9.623 -1.831 1.00 0.00 C ATOM 1960 C LEU A 127 14.610 10.254 -2.728 1.00 0.00 C ATOM 1961 O LEU A 127 13.792 11.032 -2.227 1.00 0.00 O ATOM 1962 CB LEU A 127 15.213 8.238 -1.343 1.00 0.00 C ATOM 1963 CG LEU A 127 16.259 7.446 -0.538 1.00 0.00 C ATOM 1964 CD1 LEU A 127 15.685 6.082 -0.142 1.00 0.00 C ATOM 1965 CD2 LEU A 127 17.564 7.253 -1.316 1.00 0.00 C ATOM 0 H LEU A 127 15.820 9.976 0.213 1.00 0.00 H new ATOM 0 HA LEU A 127 16.595 9.521 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.324 8.369 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 127 14.917 7.645 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 127 16.493 8.026 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 127 16.429 5.525 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 127 14.794 6.226 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.423 5.523 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 127 18.271 6.689 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 127 17.361 6.706 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 127 17.990 8.226 -1.559 1.00 0.00 H new ATOM 1977 N PRO A 128 14.568 9.931 -4.036 1.00 0.00 N ATOM 1978 CA PRO A 128 13.536 10.462 -4.914 1.00 0.00 C ATOM 1979 C PRO A 128 12.187 9.872 -4.507 1.00 0.00 C ATOM 1980 O PRO A 128 12.106 8.706 -4.107 1.00 0.00 O ATOM 1981 CB PRO A 128 13.939 10.054 -6.334 1.00 0.00 C ATOM 1982 CG PRO A 128 14.758 8.783 -6.121 1.00 0.00 C ATOM 1983 CD PRO A 128 15.431 9.007 -4.766 1.00 0.00 C ATOM 0 HA PRO A 128 13.441 11.546 -4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 128 13.067 9.869 -6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 128 14.525 10.832 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 128 14.125 7.896 -6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 128 15.492 8.642 -6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 128 15.542 8.067 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 128 16.431 9.423 -4.891 1.00 0.00 H new ATOM 1991 N TYR A 129 11.129 10.668 -4.616 1.00 0.00 N ATOM 1992 CA TYR A 129 9.767 10.200 -4.410 1.00 0.00 C ATOM 1993 C TYR A 129 9.247 9.530 -5.685 1.00 0.00 C ATOM 1994 O TYR A 129 9.832 9.697 -6.758 1.00 0.00 O ATOM 1995 CB TYR A 129 8.901 11.393 -3.994 1.00 0.00 C ATOM 1996 CG TYR A 129 9.295 12.046 -2.680 1.00 0.00 C ATOM 1997 CD1 TYR A 129 9.532 11.263 -1.533 1.00 0.00 C ATOM 1998 CD2 TYR A 129 9.388 13.447 -2.591 1.00 0.00 C ATOM 1999 CE1 TYR A 129 9.846 11.872 -0.305 1.00 0.00 C ATOM 2000 CE2 TYR A 129 9.636 14.062 -1.353 1.00 0.00 C ATOM 2001 CZ TYR A 129 9.841 13.279 -0.198 1.00 0.00 C ATOM 2002 OH TYR A 129 10.034 13.896 1.002 1.00 0.00 O ATOM 0 H TYR A 129 11.194 11.659 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 129 9.732 9.452 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 129 8.942 12.145 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.865 11.063 -3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.472 10.187 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 129 9.268 14.052 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 129 10.090 11.265 0.554 1.00 0.00 H new ATOM 0 HE2 TYR A 129 9.670 15.139 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 129 9.999 14.868 0.880 1.00 0.00 H new ATOM 2012 N HIS A 130 8.152 8.774 -5.582 1.00 0.00 N ATOM 2013 CA HIS A 130 7.529 8.072 -6.700 1.00 0.00 C ATOM 2014 C HIS A 130 6.006 8.190 -6.581 1.00 0.00 C ATOM 2015 O HIS A 130 5.447 8.065 -5.490 1.00 0.00 O ATOM 2016 CB HIS A 130 7.947 6.591 -6.704 1.00 0.00 C ATOM 2017 CG HIS A 130 9.430 6.320 -6.858 1.00 0.00 C ATOM 2018 ND1 HIS A 130 10.057 5.847 -7.991 1.00 0.00 N ATOM 2019 CD2 HIS A 130 10.379 6.400 -5.875 1.00 0.00 C ATOM 2020 CE1 HIS A 130 11.349 5.629 -7.697 1.00 0.00 C ATOM 2021 NE2 HIS A 130 11.596 5.953 -6.415 1.00 0.00 N ATOM 0 H HIS A 130 7.665 8.631 -4.697 1.00 0.00 H new ATOM 0 HA HIS A 130 7.858 8.522 -7.636 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.609 6.136 -5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.420 6.087 -7.514 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.220 6.745 -4.864 1.00 0.00 H new ATOM 0 HE1 HIS A 130 12.084 5.248 -8.390 1.00 0.00 H new ATOM 0 HE2 HIS A 130 12.491 5.887 -5.930 1.00 0.00 H new ATOM 2029 N GLU A 131 5.322 8.408 -7.701 1.00 0.00 N ATOM 2030 CA GLU A 131 3.872 8.582 -7.750 1.00 0.00 C ATOM 2031 C GLU A 131 3.113 7.255 -7.757 1.00 0.00 C ATOM 2032 O GLU A 131 1.916 7.242 -7.476 1.00 0.00 O ATOM 2033 CB GLU A 131 3.498 9.371 -9.016 1.00 0.00 C ATOM 2034 CG GLU A 131 2.777 10.685 -8.699 1.00 0.00 C ATOM 2035 CD GLU A 131 2.161 11.267 -9.971 1.00 0.00 C ATOM 2036 OE1 GLU A 131 2.874 11.401 -10.992 1.00 0.00 O ATOM 2037 OE2 GLU A 131 0.945 11.559 -9.997 1.00 0.00 O ATOM 0 H GLU A 131 5.767 8.470 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 131 3.585 9.121 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 131 4.402 9.585 -9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 131 2.860 8.754 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 131 1.999 10.512 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 131 3.478 11.398 -8.266 1.00 0.00 H new ATOM 2044 N SER A 132 3.746 6.142 -8.123 1.00 0.00 N ATOM 2045 CA SER A 132 3.089 4.842 -8.148 1.00 0.00 C ATOM 2046 C SER A 132 4.122 3.738 -8.341 1.00 0.00 C ATOM 2047 O SER A 132 5.223 3.983 -8.851 1.00 0.00 O ATOM 2048 CB SER A 132 1.965 4.790 -9.209 1.00 0.00 C ATOM 2049 OG SER A 132 2.162 5.660 -10.311 1.00 0.00 O ATOM 0 H SER A 132 4.725 6.118 -8.409 1.00 0.00 H new ATOM 0 HA SER A 132 2.603 4.679 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.878 3.768 -9.579 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.018 5.038 -8.730 1.00 0.00 H new ATOM 0 HG SER A 132 1.414 5.569 -10.937 1.00 0.00 H new ATOM 2055 N TYR A 133 3.773 2.525 -7.913 1.00 0.00 N ATOM 2056 CA TYR A 133 4.648 1.364 -7.921 1.00 0.00 C ATOM 2057 C TYR A 133 4.093 0.341 -8.895 1.00 0.00 C ATOM 2058 O TYR A 133 2.909 -0.007 -8.834 1.00 0.00 O ATOM 2059 CB TYR A 133 4.763 0.792 -6.506 1.00 0.00 C ATOM 2060 CG TYR A 133 5.840 -0.259 -6.341 1.00 0.00 C ATOM 2061 CD1 TYR A 133 7.172 0.059 -6.657 1.00 0.00 C ATOM 2062 CD2 TYR A 133 5.533 -1.521 -5.801 1.00 0.00 C ATOM 2063 CE1 TYR A 133 8.198 -0.865 -6.420 1.00 0.00 C ATOM 2064 CE2 TYR A 133 6.562 -2.440 -5.527 1.00 0.00 C ATOM 2065 CZ TYR A 133 7.903 -2.109 -5.821 1.00 0.00 C ATOM 2066 OH TYR A 133 8.920 -2.941 -5.460 1.00 0.00 O ATOM 0 H TYR A 133 2.845 2.322 -7.541 1.00 0.00 H new ATOM 0 HA TYR A 133 5.650 1.644 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 133 4.961 1.609 -5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 133 3.804 0.359 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 133 7.406 1.022 -7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 133 4.506 -1.785 -5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 133 9.215 -0.626 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 133 6.326 -3.400 -5.091 1.00 0.00 H new ATOM 0 HH TYR A 133 8.791 -3.233 -4.533 1.00 0.00 H new ATOM 2076 N ASP A 134 4.936 -0.117 -9.809 1.00 0.00 N ATOM 2077 CA ASP A 134 4.589 -1.001 -10.905 1.00 0.00 C ATOM 2078 C ASP A 134 5.706 -2.016 -11.079 1.00 0.00 C ATOM 2079 O ASP A 134 6.887 -1.678 -11.129 1.00 0.00 O ATOM 2080 CB ASP A 134 4.269 -0.268 -12.225 1.00 0.00 C ATOM 2081 CG ASP A 134 4.739 1.180 -12.427 1.00 0.00 C ATOM 2082 OD1 ASP A 134 5.794 1.614 -11.917 1.00 0.00 O ATOM 2083 OD2 ASP A 134 3.999 1.913 -13.121 1.00 0.00 O ATOM 0 H ASP A 134 5.925 0.131 -9.804 1.00 0.00 H new ATOM 0 HA ASP A 134 3.659 -1.506 -10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.688 -0.862 -13.037 1.00 0.00 H new ATOM 0 HB3 ASP A 134 3.186 -0.279 -12.349 1.00 0.00 H new ATOM 2088 N SER A 135 5.315 -3.287 -11.169 1.00 0.00 N ATOM 2089 CA SER A 135 6.229 -4.410 -11.327 1.00 0.00 C ATOM 2090 C SER A 135 6.860 -4.385 -12.724 1.00 0.00 C ATOM 2091 O SER A 135 7.834 -5.083 -12.980 1.00 0.00 O ATOM 2092 CB SER A 135 5.444 -5.695 -11.055 1.00 0.00 C ATOM 2093 OG SER A 135 6.269 -6.817 -10.822 1.00 0.00 O ATOM 0 H SER A 135 4.335 -3.567 -11.133 1.00 0.00 H new ATOM 0 HA SER A 135 7.055 -4.351 -10.619 1.00 0.00 H new ATOM 0 HB2 SER A 135 4.799 -5.542 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 135 4.794 -5.902 -11.905 1.00 0.00 H new ATOM 0 HG SER A 135 5.710 -7.604 -10.654 1.00 0.00 H new ATOM 2099 N GLU A 136 6.348 -3.528 -13.606 1.00 0.00 N ATOM 2100 CA GLU A 136 6.778 -3.264 -14.957 1.00 0.00 C ATOM 2101 C GLU A 136 6.870 -1.732 -15.044 1.00 0.00 C ATOM 2102 O GLU A 136 6.069 -1.077 -15.717 1.00 0.00 O ATOM 2103 CB GLU A 136 5.803 -3.911 -15.972 1.00 0.00 C ATOM 2104 CG GLU A 136 4.989 -5.122 -15.475 1.00 0.00 C ATOM 2105 CD GLU A 136 3.657 -4.701 -14.821 1.00 0.00 C ATOM 2106 OE1 GLU A 136 3.628 -3.852 -13.897 1.00 0.00 O ATOM 2107 OE2 GLU A 136 2.600 -5.187 -15.288 1.00 0.00 O ATOM 0 H GLU A 136 5.544 -2.951 -13.357 1.00 0.00 H new ATOM 0 HA GLU A 136 7.743 -3.704 -15.207 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.103 -3.145 -16.307 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.377 -4.222 -16.845 1.00 0.00 H new ATOM 0 HG2 GLU A 136 4.785 -5.789 -16.313 1.00 0.00 H new ATOM 0 HG3 GLU A 136 5.583 -5.686 -14.755 1.00 0.00 H new ATOM 2114 N GLY A 137 7.782 -1.148 -14.262 1.00 0.00 N ATOM 2115 CA GLY A 137 7.991 0.291 -14.118 1.00 0.00 C ATOM 2116 C GLY A 137 9.442 0.665 -14.429 1.00 0.00 C ATOM 2117 O GLY A 137 10.286 -0.222 -14.555 1.00 0.00 O ATOM 0 H GLY A 137 8.424 -1.693 -13.686 1.00 0.00 H new ATOM 0 HA2 GLY A 137 7.321 0.829 -14.788 1.00 0.00 H new ATOM 0 HA3 GLY A 137 7.741 0.599 -13.103 1.00 0.00 H new ATOM 2121 N PRO A 138 9.797 1.956 -14.520 1.00 0.00 N ATOM 2122 CA PRO A 138 11.121 2.391 -14.978 1.00 0.00 C ATOM 2123 C PRO A 138 12.258 1.901 -14.069 1.00 0.00 C ATOM 2124 O PRO A 138 13.395 1.738 -14.510 1.00 0.00 O ATOM 2125 CB PRO A 138 11.043 3.920 -15.062 1.00 0.00 C ATOM 2126 CG PRO A 138 9.894 4.288 -14.122 1.00 0.00 C ATOM 2127 CD PRO A 138 8.951 3.090 -14.203 1.00 0.00 C ATOM 0 HA PRO A 138 11.364 1.955 -15.947 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.978 4.384 -14.749 1.00 0.00 H new ATOM 0 HB3 PRO A 138 10.847 4.254 -16.081 1.00 0.00 H new ATOM 0 HG2 PRO A 138 10.248 4.449 -13.104 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.400 5.207 -14.437 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.427 2.938 -13.259 1.00 0.00 H new ATOM 0 HD3 PRO A 138 8.191 3.239 -14.969 1.00 0.00 H new ATOM 2135 N HIS A 139 11.932 1.596 -12.818 1.00 0.00 N ATOM 2136 CA HIS A 139 12.780 1.121 -11.757 1.00 0.00 C ATOM 2137 C HIS A 139 13.021 -0.368 -11.937 1.00 0.00 C ATOM 2138 O HIS A 139 12.319 -1.186 -11.362 1.00 0.00 O ATOM 2139 CB HIS A 139 12.098 1.479 -10.432 1.00 0.00 C ATOM 2140 CG HIS A 139 10.694 0.986 -10.193 1.00 0.00 C ATOM 2141 ND1 HIS A 139 10.338 -0.176 -9.554 1.00 0.00 N ATOM 2142 CD2 HIS A 139 9.549 1.672 -10.481 1.00 0.00 C ATOM 2143 CE1 HIS A 139 8.995 -0.206 -9.491 1.00 0.00 C ATOM 2144 NE2 HIS A 139 8.473 0.926 -9.997 1.00 0.00 N ATOM 0 H HIS A 139 10.967 1.689 -12.501 1.00 0.00 H new ATOM 0 HA HIS A 139 13.764 1.589 -11.767 1.00 0.00 H new ATOM 0 HB2 HIS A 139 12.724 1.102 -9.624 1.00 0.00 H new ATOM 0 HB3 HIS A 139 12.087 2.566 -10.347 1.00 0.00 H new ATOM 0 HD1 HIS A 139 10.975 -0.886 -9.193 1.00 0.00 H new ATOM 0 HD2 HIS A 139 9.487 2.622 -10.992 1.00 0.00 H new ATOM 0 HE1 HIS A 139 8.416 -1.025 -9.090 1.00 0.00 H new ATOM 2152 N GLY A 140 13.998 -0.737 -12.756 1.00 0.00 N ATOM 2153 CA GLY A 140 14.411 -2.127 -13.002 1.00 0.00 C ATOM 2154 C GLY A 140 14.535 -2.971 -11.721 1.00 0.00 C ATOM 2155 O GLY A 140 14.260 -4.171 -11.731 1.00 0.00 O ATOM 0 H GLY A 140 14.547 -0.061 -13.288 1.00 0.00 H new ATOM 0 HA2 GLY A 140 13.689 -2.599 -13.669 1.00 0.00 H new ATOM 0 HA3 GLY A 140 15.370 -2.126 -13.520 1.00 0.00 H new ATOM 2159 N LEU A 141 14.906 -2.329 -10.612 1.00 0.00 N ATOM 2160 CA LEU A 141 14.664 -2.743 -9.230 1.00 0.00 C ATOM 2161 C LEU A 141 13.153 -2.853 -8.932 1.00 0.00 C ATOM 2162 O LEU A 141 12.517 -1.896 -8.469 1.00 0.00 O ATOM 2163 CB LEU A 141 15.336 -1.753 -8.247 1.00 0.00 C ATOM 2164 CG LEU A 141 15.163 -0.266 -8.631 1.00 0.00 C ATOM 2165 CD1 LEU A 141 14.675 0.545 -7.445 1.00 0.00 C ATOM 2166 CD2 LEU A 141 16.441 0.351 -9.200 1.00 0.00 C ATOM 0 H LEU A 141 15.417 -1.448 -10.659 1.00 0.00 H new ATOM 0 HA LEU A 141 15.104 -3.731 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 141 14.923 -1.910 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 141 16.400 -1.981 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 141 14.412 -0.237 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 141 14.561 1.588 -7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 141 13.714 0.156 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 141 15.399 0.475 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.260 1.396 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 141 17.237 0.289 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.739 -0.192 -10.097 1.00 0.00 H new ATOM 2178 N ARG A 142 12.561 -4.030 -9.143 1.00 0.00 N ATOM 2179 CA ARG A 142 11.215 -4.350 -8.645 1.00 0.00 C ATOM 2180 C ARG A 142 11.337 -5.241 -7.407 1.00 0.00 C ATOM 2181 O ARG A 142 12.453 -5.594 -7.026 1.00 0.00 O ATOM 2182 CB ARG A 142 10.347 -5.030 -9.727 1.00 0.00 C ATOM 2183 CG ARG A 142 10.565 -4.608 -11.187 1.00 0.00 C ATOM 2184 CD ARG A 142 9.995 -3.223 -11.524 1.00 0.00 C ATOM 2185 NE ARG A 142 10.539 -2.649 -12.773 1.00 0.00 N ATOM 2186 CZ ARG A 142 10.707 -3.259 -13.965 1.00 0.00 C ATOM 2187 NH1 ARG A 142 10.172 -4.444 -14.242 1.00 0.00 N ATOM 2188 NH2 ARG A 142 11.408 -2.676 -14.924 1.00 0.00 N ATOM 0 H ARG A 142 12.998 -4.790 -9.663 1.00 0.00 H new ATOM 0 HA ARG A 142 10.714 -3.419 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 142 10.511 -6.106 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.301 -4.851 -9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 142 11.634 -4.612 -11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.106 -5.349 -11.842 1.00 0.00 H new ATOM 0 HD2 ARG A 142 8.911 -3.296 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.205 -2.542 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 142 10.823 -1.670 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 142 9.610 -4.926 -13.541 1.00 0.00 H new ATOM 0 HH12 ARG A 142 10.323 -4.871 -15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.826 -1.759 -14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.531 -3.143 -15.822 1.00 0.00 H new ATOM 2202 N TYR A 143 10.216 -5.571 -6.760 1.00 0.00 N ATOM 2203 CA TYR A 143 10.208 -6.289 -5.487 1.00 0.00 C ATOM 2204 C TYR A 143 10.890 -7.644 -5.672 1.00 0.00 C ATOM 2205 O TYR A 143 10.380 -8.486 -6.420 1.00 0.00 O ATOM 2206 CB TYR A 143 8.759 -6.449 -4.994 1.00 0.00 C ATOM 2207 CG TYR A 143 8.553 -7.147 -3.658 1.00 0.00 C ATOM 2208 CD1 TYR A 143 9.359 -6.875 -2.532 1.00 0.00 C ATOM 2209 CD2 TYR A 143 7.524 -8.100 -3.552 1.00 0.00 C ATOM 2210 CE1 TYR A 143 9.124 -7.553 -1.321 1.00 0.00 C ATOM 2211 CE2 TYR A 143 7.245 -8.738 -2.335 1.00 0.00 C ATOM 2212 CZ TYR A 143 8.034 -8.444 -1.209 1.00 0.00 C ATOM 2213 OH TYR A 143 7.793 -9.101 -0.046 1.00 0.00 O ATOM 0 H TYR A 143 9.284 -5.345 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 143 10.759 -5.728 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 143 8.313 -5.457 -4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.203 -7.000 -5.752 1.00 0.00 H new ATOM 0 HD1 TYR A 143 10.155 -6.148 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 143 6.937 -8.345 -4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 143 9.778 -7.392 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 143 6.433 -9.447 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 143 7.003 -9.671 -0.150 1.00 0.00 H new ATOM 2223 N ASN A 144 12.019 -7.866 -4.993 1.00 0.00 N ATOM 2224 CA ASN A 144 12.807 -9.093 -5.094 1.00 0.00 C ATOM 2225 C ASN A 144 12.918 -9.737 -3.715 1.00 0.00 C ATOM 2226 O ASN A 144 14.001 -9.801 -3.144 1.00 0.00 O ATOM 2227 CB ASN A 144 14.209 -8.801 -5.660 1.00 0.00 C ATOM 2228 CG ASN A 144 14.262 -8.511 -7.146 1.00 0.00 C ATOM 2229 OD1 ASN A 144 13.402 -8.949 -7.905 1.00 0.00 O ATOM 2230 ND2 ASN A 144 15.281 -7.788 -7.580 1.00 0.00 N ATOM 0 H ASN A 144 12.416 -7.184 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 144 12.306 -9.778 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 144 14.628 -7.948 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 144 14.852 -9.656 -5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 144 15.371 -7.578 -8.574 1.00 0.00 H new ATOM 0 HD22 ASN A 144 15.977 -7.440 -6.921 1.00 0.00 H new