USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 93:sc= -0.877 USER MOD Set 1.2: A 97 MET CE :methyl -118:sc= -1.57 (180deg=-3.39!) USER MOD Set 2.1: A 59 MET CE :methyl 180:sc=-0.00371 (180deg=0) USER MOD Set 2.2: A 88 MET CE :methyl 164:sc= -0.0137 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -8.3! C(o=-8.3!,f=-12!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.04 K(o=-1,f=-0.19) USER MOD Single : A 23 SER OG : rot 43:sc= 0.447 USER MOD Single : A 28 THR OG1 : rot -36:sc= 0.328 USER MOD Single : A 31 SER OG : rot -10:sc= -0.012 USER MOD Single : A 32 THR OG1 : rot 116:sc= -0.0497 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -4.03 K(o=-4,f=-3.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00734 USER MOD Single : A 43 SER OG : rot 150:sc= -0.0527 USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.0751 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.21) USER MOD Single : A 58 MET CE :methyl -131:sc= -7.27 (180deg=-12!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.9!) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc=-0.00232 (180deg=-0.216) USER MOD Single : A 87 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-6!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.268 USER MOD Single : A 92 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.7!) USER MOD Single : A 93 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -168:sc= 0 (180deg=-0.0991) USER MOD Single : A 103 THR OG1 : rot 64:sc= -0.62! USER MOD Single : A 105 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.21) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 109 SER OG : rot -78:sc= 0.725 USER MOD Single : A 111 TYR OH : rot 114:sc= -4! USER MOD Single : A 112 LYS NZ :NH3+ -162:sc= -0.611 (180deg=-1.5) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -3.016 -13.559 -6.227 1.00 0.00 N ATOM 29 CA HIS A 3 -2.570 -12.590 -7.220 1.00 0.00 C ATOM 30 C HIS A 3 -3.617 -11.505 -7.465 1.00 0.00 C ATOM 31 O HIS A 3 -3.322 -10.484 -8.082 1.00 0.00 O ATOM 32 CB HIS A 3 -2.242 -13.295 -8.536 1.00 0.00 C ATOM 33 CG HIS A 3 -1.112 -12.654 -9.266 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.931 -12.758 -10.628 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.104 -11.879 -8.812 1.00 0.00 C ATOM 36 CE1 HIS A 3 0.141 -12.072 -10.977 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.661 -11.527 -9.891 1.00 0.00 N ATOM 0 HA HIS A 3 -1.673 -12.110 -6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.994 -14.337 -8.333 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.126 -13.296 -9.173 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -1.531 -13.282 -11.265 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.067 -11.590 -7.786 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.528 -11.973 -11.980 1.00 0.00 H new ATOM 46 N SER A 4 -4.838 -11.723 -6.983 1.00 0.00 N ATOM 47 CA SER A 4 -5.905 -10.748 -7.162 1.00 0.00 C ATOM 48 C SER A 4 -6.720 -10.595 -5.885 1.00 0.00 C ATOM 49 O SER A 4 -6.676 -11.447 -4.999 1.00 0.00 O ATOM 50 CB SER A 4 -6.817 -11.150 -8.323 1.00 0.00 C ATOM 51 OG SER A 4 -6.856 -12.558 -8.478 1.00 0.00 O ATOM 0 H SER A 4 -5.110 -12.561 -6.469 1.00 0.00 H new ATOM 0 HA SER A 4 -5.445 -9.788 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.824 -10.773 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.462 -10.689 -9.245 1.00 0.00 H new ATOM 0 HG SER A 4 -7.447 -12.789 -9.225 1.00 0.00 H new ATOM 57 N GLY A 5 -7.457 -9.495 -5.797 1.00 0.00 N ATOM 58 CA GLY A 5 -8.269 -9.231 -4.629 1.00 0.00 C ATOM 59 C GLY A 5 -8.847 -7.839 -4.671 1.00 0.00 C ATOM 60 O GLY A 5 -8.168 -6.901 -5.070 1.00 0.00 O ATOM 0 H GLY A 5 -7.505 -8.777 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.076 -9.961 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.666 -9.350 -3.729 1.00 0.00 H new ATOM 64 N ALA A 6 -10.105 -7.700 -4.284 1.00 0.00 N ATOM 65 CA ALA A 6 -10.761 -6.404 -4.314 1.00 0.00 C ATOM 66 C ALA A 6 -10.469 -5.580 -3.063 1.00 0.00 C ATOM 67 O ALA A 6 -10.404 -6.110 -1.954 1.00 0.00 O ATOM 68 CB ALA A 6 -12.250 -6.588 -4.525 1.00 0.00 C ATOM 0 H ALA A 6 -10.689 -8.465 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.355 -5.838 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.738 -5.613 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.423 -7.101 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.662 -7.182 -3.709 1.00 0.00 H new ATOM 74 N ALA A 7 -10.280 -4.276 -3.264 1.00 0.00 N ATOM 75 CA ALA A 7 -9.977 -3.358 -2.170 1.00 0.00 C ATOM 76 C ALA A 7 -10.520 -1.958 -2.455 1.00 0.00 C ATOM 77 O ALA A 7 -10.988 -1.678 -3.558 1.00 0.00 O ATOM 78 CB ALA A 7 -8.476 -3.307 -1.939 1.00 0.00 C ATOM 0 H ALA A 7 -10.332 -3.831 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.466 -3.727 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.257 -2.620 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.113 -4.303 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.980 -2.962 -2.846 1.00 0.00 H new ATOM 84 N ILE A 8 -10.462 -1.082 -1.451 1.00 0.00 N ATOM 85 CA ILE A 8 -10.957 0.287 -1.599 1.00 0.00 C ATOM 86 C ILE A 8 -9.817 1.280 -1.807 1.00 0.00 C ATOM 87 O ILE A 8 -8.903 1.367 -0.988 1.00 0.00 O ATOM 88 CB ILE A 8 -11.765 0.747 -0.359 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.955 -0.185 -0.054 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.254 2.179 -0.549 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.198 -1.272 -1.080 1.00 0.00 C ATOM 0 H ILE A 8 -10.079 -1.295 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.604 0.273 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.092 0.703 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.791 -0.653 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.858 0.420 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.820 2.490 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.398 2.841 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.894 2.231 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.055 -1.874 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.399 -0.818 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.316 -1.908 -1.153 1.00 0.00 H new ATOM 103 N PHE A 9 -9.893 2.050 -2.889 1.00 0.00 N ATOM 104 CA PHE A 9 -8.879 3.057 -3.172 1.00 0.00 C ATOM 105 C PHE A 9 -9.510 4.435 -3.363 1.00 0.00 C ATOM 106 O PHE A 9 -10.173 4.693 -4.367 1.00 0.00 O ATOM 107 CB PHE A 9 -8.063 2.693 -4.412 1.00 0.00 C ATOM 108 CG PHE A 9 -6.858 3.573 -4.602 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.003 4.917 -4.909 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.579 3.058 -4.467 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.898 5.728 -5.081 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.469 3.864 -4.637 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.628 5.200 -4.946 1.00 0.00 C ATOM 0 H PHE A 9 -10.642 1.996 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.212 3.089 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.739 1.655 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.700 2.764 -5.293 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.993 5.336 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.448 2.014 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.026 6.773 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.478 3.449 -4.528 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.762 5.831 -5.082 1.00 0.00 H new ATOM 123 N GLU A 10 -9.279 5.314 -2.394 1.00 0.00 N ATOM 124 CA GLU A 10 -9.797 6.683 -2.435 1.00 0.00 C ATOM 125 C GLU A 10 -11.317 6.720 -2.314 1.00 0.00 C ATOM 126 O GLU A 10 -11.996 7.387 -3.094 1.00 0.00 O ATOM 127 CB GLU A 10 -9.356 7.386 -3.722 1.00 0.00 C ATOM 128 CG GLU A 10 -7.963 7.989 -3.641 1.00 0.00 C ATOM 129 CD GLU A 10 -7.620 8.828 -4.855 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.554 9.266 -5.558 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.415 9.050 -5.102 1.00 0.00 O ATOM 0 H GLU A 10 -8.731 5.102 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.382 7.212 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.386 6.672 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.071 8.174 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.890 8.606 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.230 7.189 -3.538 1.00 0.00 H new ATOM 138 N LYS A 11 -11.845 6.010 -1.321 1.00 0.00 N ATOM 139 CA LYS A 11 -13.286 5.968 -1.078 1.00 0.00 C ATOM 140 C LYS A 11 -14.028 5.159 -2.144 1.00 0.00 C ATOM 141 O LYS A 11 -15.235 4.946 -2.032 1.00 0.00 O ATOM 142 CB LYS A 11 -13.860 7.387 -1.015 1.00 0.00 C ATOM 143 CG LYS A 11 -13.058 8.330 -0.133 1.00 0.00 C ATOM 144 CD LYS A 11 -13.662 8.440 1.258 1.00 0.00 C ATOM 145 CE LYS A 11 -14.513 9.691 1.399 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.455 9.596 2.549 1.00 0.00 N ATOM 0 H LYS A 11 -11.294 5.453 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.433 5.471 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.905 7.797 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.884 7.339 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.031 7.974 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.020 9.317 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.271 7.559 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.865 8.455 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.865 10.558 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.077 9.852 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.017 10.469 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.090 8.784 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.916 9.468 3.429 1.00 0.00 H new ATOM 160 N VAL A 12 -13.314 4.702 -3.171 1.00 0.00 N ATOM 161 CA VAL A 12 -13.932 3.918 -4.225 1.00 0.00 C ATOM 162 C VAL A 12 -13.649 2.445 -4.026 1.00 0.00 C ATOM 163 O VAL A 12 -12.602 2.064 -3.503 1.00 0.00 O ATOM 164 CB VAL A 12 -13.447 4.354 -5.623 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.733 3.287 -6.675 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.111 5.658 -5.999 1.00 0.00 C ATOM 0 H VAL A 12 -12.314 4.863 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.006 4.093 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.366 4.491 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.377 3.630 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.220 2.364 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.806 3.104 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.770 5.968 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.193 5.524 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.850 6.423 -5.268 1.00 0.00 H new ATOM 176 N SER A 13 -14.588 1.623 -4.449 1.00 0.00 N ATOM 177 CA SER A 13 -14.437 0.187 -4.316 1.00 0.00 C ATOM 178 C SER A 13 -14.270 -0.469 -5.677 1.00 0.00 C ATOM 179 O SER A 13 -15.191 -0.483 -6.492 1.00 0.00 O ATOM 180 CB SER A 13 -15.631 -0.421 -3.587 1.00 0.00 C ATOM 181 OG SER A 13 -16.153 0.477 -2.622 1.00 0.00 O ATOM 0 H SER A 13 -15.460 1.922 -4.886 1.00 0.00 H new ATOM 0 HA SER A 13 -13.539 0.002 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.408 -0.678 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.329 -1.348 -3.100 1.00 0.00 H new ATOM 0 HG SER A 13 -16.918 0.064 -2.171 1.00 0.00 H new ATOM 187 N GLY A 14 -13.086 -1.014 -5.909 1.00 0.00 N ATOM 188 CA GLY A 14 -12.806 -1.672 -7.165 1.00 0.00 C ATOM 189 C GLY A 14 -12.179 -3.031 -6.965 1.00 0.00 C ATOM 190 O GLY A 14 -12.643 -3.822 -6.145 1.00 0.00 O ATOM 0 H GLY A 14 -12.311 -1.011 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.731 -1.779 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.138 -1.049 -7.760 1.00 0.00 H new ATOM 194 N ILE A 15 -11.116 -3.299 -7.710 1.00 0.00 N ATOM 195 CA ILE A 15 -10.418 -4.567 -7.610 1.00 0.00 C ATOM 196 C ILE A 15 -8.917 -4.369 -7.598 1.00 0.00 C ATOM 197 O ILE A 15 -8.376 -3.637 -8.421 1.00 0.00 O ATOM 198 CB ILE A 15 -10.743 -5.506 -8.788 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.250 -5.536 -9.065 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.207 -6.908 -8.508 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.090 -5.907 -7.864 1.00 0.00 C ATOM 0 H ILE A 15 -10.719 -2.652 -8.391 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.757 -5.015 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.252 -5.123 -9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.562 -4.556 -9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.447 -6.247 -9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.443 -7.562 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.126 -6.864 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.669 -7.300 -7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.144 -5.906 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.808 -6.901 -7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.925 -5.182 -7.067 1.00 0.00 H new ATOM 213 N ILE A 16 -8.244 -5.077 -6.711 1.00 0.00 N ATOM 214 CA ILE A 16 -6.800 -5.026 -6.654 1.00 0.00 C ATOM 215 C ILE A 16 -6.300 -6.270 -7.351 1.00 0.00 C ATOM 216 O ILE A 16 -6.897 -7.339 -7.217 1.00 0.00 O ATOM 217 CB ILE A 16 -6.244 -4.976 -5.204 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.733 -3.574 -4.868 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.123 -5.993 -5.013 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.019 -3.497 -3.533 1.00 0.00 C ATOM 0 H ILE A 16 -8.676 -5.693 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.456 -4.110 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.061 -5.226 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.054 -3.245 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.574 -2.881 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.752 -5.937 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.504 -6.996 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.311 -5.774 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.683 -2.475 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.702 -3.795 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.158 -4.165 -3.542 1.00 0.00 H new ATOM 232 N ALA A 17 -5.237 -6.144 -8.107 1.00 0.00 N ATOM 233 CA ALA A 17 -4.724 -7.289 -8.821 1.00 0.00 C ATOM 234 C ALA A 17 -3.227 -7.177 -9.036 1.00 0.00 C ATOM 235 O ALA A 17 -2.734 -6.253 -9.683 1.00 0.00 O ATOM 236 CB ALA A 17 -5.491 -7.465 -10.120 1.00 0.00 C ATOM 0 H ALA A 17 -4.717 -5.277 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.875 -8.186 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.102 -8.330 -10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.548 -7.619 -9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.374 -6.573 -10.735 1.00 0.00 H new ATOM 242 N ILE A 18 -2.517 -8.122 -8.446 1.00 0.00 N ATOM 243 CA ILE A 18 -1.067 -8.167 -8.503 1.00 0.00 C ATOM 244 C ILE A 18 -0.551 -8.791 -9.795 1.00 0.00 C ATOM 245 O ILE A 18 -1.130 -9.743 -10.319 1.00 0.00 O ATOM 246 CB ILE A 18 -0.506 -8.945 -7.297 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.887 -8.240 -5.995 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.001 -9.084 -7.408 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.274 -9.184 -4.882 1.00 0.00 C ATOM 0 H ILE A 18 -2.933 -8.884 -7.911 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.720 -7.134 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.940 -9.945 -7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.047 -7.628 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.718 -7.562 -6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.380 -9.636 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.250 -9.622 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.457 -8.094 -7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.531 -8.611 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.134 -9.778 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.437 -9.846 -4.659 1.00 0.00 H new ATOM 261 N ASN A 19 0.555 -8.245 -10.291 1.00 0.00 N ATOM 262 CA ASN A 19 1.186 -8.734 -11.509 1.00 0.00 C ATOM 263 C ASN A 19 2.657 -9.052 -11.251 1.00 0.00 C ATOM 264 O ASN A 19 3.463 -8.155 -11.007 1.00 0.00 O ATOM 265 CB ASN A 19 1.062 -7.697 -12.628 1.00 0.00 C ATOM 266 CG ASN A 19 0.766 -8.331 -13.973 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.376 -8.334 -14.433 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.796 -8.871 -14.613 1.00 0.00 N ATOM 0 H ASN A 19 1.036 -7.455 -9.861 1.00 0.00 H new ATOM 0 HA ASN A 19 0.677 -9.646 -11.820 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.269 -6.991 -12.380 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.988 -7.126 -12.695 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.657 -9.311 -15.523 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.726 -8.846 -14.195 1.00 0.00 H new ATOM 275 N GLU A 20 2.997 -10.336 -11.297 1.00 0.00 N ATOM 276 CA GLU A 20 4.368 -10.777 -11.059 1.00 0.00 C ATOM 277 C GLU A 20 5.092 -11.066 -12.371 1.00 0.00 C ATOM 278 O GLU A 20 6.281 -11.386 -12.373 1.00 0.00 O ATOM 279 CB GLU A 20 4.392 -12.019 -10.163 1.00 0.00 C ATOM 280 CG GLU A 20 3.296 -13.025 -10.471 1.00 0.00 C ATOM 281 CD GLU A 20 3.782 -14.459 -10.389 1.00 0.00 C ATOM 282 OE1 GLU A 20 4.864 -14.751 -10.941 1.00 0.00 O ATOM 283 OE2 GLU A 20 3.081 -15.289 -9.776 1.00 0.00 O ATOM 0 H GLU A 20 2.341 -11.091 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 20 4.890 -9.966 -10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.360 -12.509 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.302 -11.706 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.471 -12.884 -9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.903 -12.835 -11.470 1.00 0.00 H new ATOM 290 N ASP A 21 4.380 -10.932 -13.487 1.00 0.00 N ATOM 291 CA ASP A 21 4.974 -11.160 -14.797 1.00 0.00 C ATOM 292 C ASP A 21 5.876 -9.989 -15.179 1.00 0.00 C ATOM 293 O ASP A 21 6.550 -10.018 -16.208 1.00 0.00 O ATOM 294 CB ASP A 21 3.884 -11.350 -15.853 1.00 0.00 C ATOM 295 CG ASP A 21 3.300 -12.748 -15.837 1.00 0.00 C ATOM 296 OD1 ASP A 21 2.975 -13.243 -14.737 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.168 -13.350 -16.923 1.00 0.00 O ATOM 0 H ASP A 21 3.395 -10.668 -13.509 1.00 0.00 H new ATOM 0 HA ASP A 21 5.576 -12.068 -14.750 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.088 -10.625 -15.684 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.298 -11.144 -16.840 1.00 0.00 H new ATOM 302 N VAL A 22 5.883 -8.957 -14.334 1.00 0.00 N ATOM 303 CA VAL A 22 6.700 -7.776 -14.571 1.00 0.00 C ATOM 304 C VAL A 22 8.054 -7.920 -13.887 1.00 0.00 C ATOM 305 O VAL A 22 8.484 -9.027 -13.562 1.00 0.00 O ATOM 306 CB VAL A 22 6.017 -6.477 -14.082 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.873 -5.482 -15.224 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.674 -6.773 -13.463 1.00 0.00 C ATOM 0 H VAL A 22 5.329 -8.920 -13.478 1.00 0.00 H new ATOM 0 HA VAL A 22 6.833 -7.699 -15.650 1.00 0.00 H new ATOM 0 HB VAL A 22 6.652 -6.031 -13.316 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.390 -4.576 -14.858 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.859 -5.235 -15.617 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.266 -5.922 -16.016 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.215 -5.843 -13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.030 -7.250 -14.202 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.805 -7.441 -12.611 1.00 0.00 H new ATOM 318 N SER A 23 8.717 -6.796 -13.665 1.00 0.00 N ATOM 319 CA SER A 23 10.018 -6.787 -13.012 1.00 0.00 C ATOM 320 C SER A 23 10.537 -5.359 -12.872 1.00 0.00 C ATOM 321 O SER A 23 11.071 -4.792 -13.824 1.00 0.00 O ATOM 322 CB SER A 23 11.018 -7.633 -13.799 1.00 0.00 C ATOM 323 OG SER A 23 11.059 -7.241 -15.160 1.00 0.00 O ATOM 0 H SER A 23 8.374 -5.873 -13.929 1.00 0.00 H new ATOM 0 HA SER A 23 9.903 -7.216 -12.017 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.010 -7.532 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.743 -8.685 -13.729 1.00 0.00 H new ATOM 0 HG SER A 23 11.061 -6.263 -15.219 1.00 0.00 H new ATOM 329 N PRO A 24 10.383 -4.749 -11.681 1.00 0.00 N ATOM 330 CA PRO A 24 9.752 -5.384 -10.515 1.00 0.00 C ATOM 331 C PRO A 24 8.245 -5.556 -10.684 1.00 0.00 C ATOM 332 O PRO A 24 7.634 -4.950 -11.564 1.00 0.00 O ATOM 333 CB PRO A 24 10.046 -4.414 -9.362 1.00 0.00 C ATOM 334 CG PRO A 24 11.035 -3.430 -9.895 1.00 0.00 C ATOM 335 CD PRO A 24 10.824 -3.385 -11.378 1.00 0.00 C ATOM 0 HA PRO A 24 10.140 -6.390 -10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.136 -3.913 -9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.449 -4.944 -8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.883 -2.446 -9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.054 -3.734 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.074 -2.645 -11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.740 -3.128 -11.910 1.00 0.00 H new ATOM 343 N ALA A 25 7.652 -6.388 -9.829 1.00 0.00 N ATOM 344 CA ALA A 25 6.214 -6.643 -9.876 1.00 0.00 C ATOM 345 C ALA A 25 5.416 -5.358 -9.763 1.00 0.00 C ATOM 346 O ALA A 25 5.972 -4.279 -9.560 1.00 0.00 O ATOM 347 CB ALA A 25 5.795 -7.581 -8.757 1.00 0.00 C ATOM 0 H ALA A 25 8.146 -6.897 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 25 6.006 -7.105 -10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.721 -7.756 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.323 -8.529 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.040 -7.132 -7.795 1.00 0.00 H new ATOM 353 N GLU A 26 4.102 -5.491 -9.877 1.00 0.00 N ATOM 354 CA GLU A 26 3.214 -4.348 -9.767 1.00 0.00 C ATOM 355 C GLU A 26 1.775 -4.794 -9.536 1.00 0.00 C ATOM 356 O GLU A 26 1.306 -5.750 -10.153 1.00 0.00 O ATOM 357 CB GLU A 26 3.301 -3.478 -11.024 1.00 0.00 C ATOM 358 CG GLU A 26 2.728 -4.140 -12.266 1.00 0.00 C ATOM 359 CD GLU A 26 1.332 -3.649 -12.596 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.403 -3.927 -11.809 1.00 0.00 O ATOM 361 OE2 GLU A 26 1.167 -2.988 -13.643 1.00 0.00 O ATOM 0 H GLU A 26 3.630 -6.379 -10.045 1.00 0.00 H new ATOM 0 HA GLU A 26 3.532 -3.758 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.772 -2.542 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.345 -3.224 -11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.387 -3.947 -13.113 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.704 -5.220 -12.120 1.00 0.00 H new ATOM 368 N LEU A 27 1.070 -4.083 -8.664 1.00 0.00 N ATOM 369 CA LEU A 27 -0.323 -4.396 -8.381 1.00 0.00 C ATOM 370 C LEU A 27 -1.204 -3.318 -9.012 1.00 0.00 C ATOM 371 O LEU A 27 -0.797 -2.162 -9.105 1.00 0.00 O ATOM 372 CB LEU A 27 -0.564 -4.515 -6.862 1.00 0.00 C ATOM 373 CG LEU A 27 -0.861 -3.213 -6.107 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.198 -2.610 -6.508 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.845 -3.473 -4.616 1.00 0.00 C ATOM 0 H LEU A 27 1.440 -3.288 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.580 -5.363 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.398 -5.199 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.316 -4.975 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.084 -2.495 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.365 -1.690 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.192 -2.389 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.997 -3.318 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.056 -2.546 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.604 -4.215 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.136 -3.845 -4.322 1.00 0.00 H new ATOM 387 N THR A 28 -2.391 -3.693 -9.477 1.00 0.00 N ATOM 388 CA THR A 28 -3.277 -2.731 -10.130 1.00 0.00 C ATOM 389 C THR A 28 -4.685 -2.732 -9.547 1.00 0.00 C ATOM 390 O THR A 28 -5.436 -3.694 -9.712 1.00 0.00 O ATOM 391 CB THR A 28 -3.348 -3.033 -11.627 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.117 -3.557 -12.093 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.678 -1.819 -12.468 1.00 0.00 C ATOM 0 H THR A 28 -2.760 -4.642 -9.416 1.00 0.00 H new ATOM 0 HA THR A 28 -2.856 -1.741 -9.957 1.00 0.00 H new ATOM 0 HB THR A 28 -4.153 -3.760 -11.736 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.377 -3.126 -11.617 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.713 -2.103 -13.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.647 -1.421 -12.168 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.912 -1.057 -12.323 1.00 0.00 H new ATOM 401 N TRP A 29 -5.051 -1.630 -8.897 1.00 0.00 N ATOM 402 CA TRP A 29 -6.373 -1.483 -8.332 1.00 0.00 C ATOM 403 C TRP A 29 -7.289 -0.810 -9.346 1.00 0.00 C ATOM 404 O TRP A 29 -7.128 0.371 -9.643 1.00 0.00 O ATOM 405 CB TRP A 29 -6.319 -0.636 -7.062 1.00 0.00 C ATOM 406 CG TRP A 29 -7.675 -0.319 -6.521 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.384 -1.074 -5.649 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.489 0.816 -6.833 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.596 -0.481 -5.381 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.683 0.683 -6.098 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.326 1.933 -7.657 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.706 1.625 -6.164 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.343 2.868 -7.722 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.519 2.709 -6.978 1.00 0.00 C ATOM 0 H TRP A 29 -4.440 -0.826 -8.752 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.758 -2.472 -8.083 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.744 -1.165 -6.302 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.790 0.294 -7.273 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.046 -2.008 -5.225 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.311 -0.847 -4.753 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.422 2.064 -8.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.615 1.505 -5.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.229 3.734 -8.356 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.294 3.458 -7.048 1.00 0.00 H new ATOM 425 N ARG A 30 -8.245 -1.561 -9.873 1.00 0.00 N ATOM 426 CA ARG A 30 -9.177 -1.020 -10.858 1.00 0.00 C ATOM 427 C ARG A 30 -10.578 -0.900 -10.273 1.00 0.00 C ATOM 428 O ARG A 30 -11.090 -1.842 -9.677 1.00 0.00 O ATOM 429 CB ARG A 30 -9.206 -1.906 -12.105 1.00 0.00 C ATOM 430 CG ARG A 30 -10.014 -1.320 -13.250 1.00 0.00 C ATOM 431 CD ARG A 30 -10.208 -2.329 -14.370 1.00 0.00 C ATOM 432 NE ARG A 30 -9.191 -2.195 -15.410 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.088 -3.012 -16.455 1.00 0.00 C ATOM 434 NH1 ARG A 30 -9.935 -4.023 -16.604 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.134 -2.817 -17.356 1.00 0.00 N ATOM 0 H ARG A 30 -8.397 -2.542 -9.638 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.833 -0.024 -11.137 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.184 -2.076 -12.443 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.620 -2.879 -11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.986 -0.994 -12.881 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.508 -0.436 -13.639 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.175 -3.338 -13.959 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.196 -2.196 -14.810 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.521 -1.430 -15.330 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.671 -4.178 -15.915 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.850 -4.645 -17.408 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.481 -2.041 -17.247 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.054 -3.443 -18.158 1.00 0.00 H new ATOM 449 N SER A 31 -11.202 0.262 -10.453 1.00 0.00 N ATOM 450 CA SER A 31 -12.549 0.488 -9.937 1.00 0.00 C ATOM 451 C SER A 31 -13.476 -0.655 -10.344 1.00 0.00 C ATOM 452 O SER A 31 -13.195 -1.381 -11.298 1.00 0.00 O ATOM 453 CB SER A 31 -13.100 1.816 -10.460 1.00 0.00 C ATOM 454 OG SER A 31 -12.506 2.914 -9.789 1.00 0.00 O ATOM 0 H SER A 31 -10.799 1.057 -10.949 1.00 0.00 H new ATOM 0 HA SER A 31 -12.498 0.528 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.912 1.895 -11.531 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.181 1.844 -10.323 1.00 0.00 H new ATOM 0 HG SER A 31 -11.993 2.589 -9.020 1.00 0.00 H new ATOM 460 N THR A 32 -14.579 -0.812 -9.622 1.00 0.00 N ATOM 461 CA THR A 32 -15.536 -1.867 -9.920 1.00 0.00 C ATOM 462 C THR A 32 -16.336 -1.499 -11.155 1.00 0.00 C ATOM 463 O THR A 32 -16.666 -2.350 -11.982 1.00 0.00 O ATOM 464 CB THR A 32 -16.469 -2.094 -8.728 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.755 -2.619 -7.623 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.604 -3.048 -9.030 1.00 0.00 C ATOM 0 H THR A 32 -14.831 -0.223 -8.828 1.00 0.00 H new ATOM 0 HA THR A 32 -14.994 -2.793 -10.111 1.00 0.00 H new ATOM 0 HB THR A 32 -16.887 -1.113 -8.500 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.779 -1.977 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.227 -3.165 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.206 -2.650 -9.847 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.198 -4.018 -9.318 1.00 0.00 H new ATOM 474 N ASP A 33 -16.636 -0.218 -11.267 1.00 0.00 N ATOM 475 CA ASP A 33 -17.390 0.298 -12.396 1.00 0.00 C ATOM 476 C ASP A 33 -16.474 0.599 -13.580 1.00 0.00 C ATOM 477 O ASP A 33 -16.938 0.764 -14.708 1.00 0.00 O ATOM 478 CB ASP A 33 -18.155 1.561 -11.992 1.00 0.00 C ATOM 479 CG ASP A 33 -17.256 2.602 -11.355 1.00 0.00 C ATOM 480 OD1 ASP A 33 -16.034 2.568 -11.611 1.00 0.00 O ATOM 481 OD2 ASP A 33 -17.774 3.451 -10.599 1.00 0.00 O ATOM 0 H ASP A 33 -16.367 0.490 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.102 -0.469 -12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.635 1.989 -12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.949 1.294 -11.294 1.00 0.00 H new ATOM 486 N GLY A 34 -15.170 0.672 -13.317 1.00 0.00 N ATOM 487 CA GLY A 34 -14.217 0.956 -14.373 1.00 0.00 C ATOM 488 C GLY A 34 -14.023 2.443 -14.588 1.00 0.00 C ATOM 489 O GLY A 34 -13.816 2.893 -15.715 1.00 0.00 O ATOM 0 H GLY A 34 -14.759 0.539 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.259 0.499 -14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.560 0.499 -15.301 1.00 0.00 H new ATOM 493 N ASP A 35 -14.097 3.208 -13.504 1.00 0.00 N ATOM 494 CA ASP A 35 -13.934 4.655 -13.577 1.00 0.00 C ATOM 495 C ASP A 35 -12.464 5.052 -13.522 1.00 0.00 C ATOM 496 O ASP A 35 -12.078 6.106 -14.027 1.00 0.00 O ATOM 497 CB ASP A 35 -14.701 5.334 -12.441 1.00 0.00 C ATOM 498 CG ASP A 35 -15.225 6.701 -12.833 1.00 0.00 C ATOM 499 OD1 ASP A 35 -15.857 6.809 -13.904 1.00 0.00 O ATOM 500 OD2 ASP A 35 -15.004 7.663 -12.069 1.00 0.00 O ATOM 0 H ASP A 35 -14.269 2.850 -12.565 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.339 4.987 -14.533 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.536 4.701 -12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.048 5.433 -11.574 1.00 0.00 H new ATOM 505 N LYS A 36 -11.648 4.208 -12.905 1.00 0.00 N ATOM 506 CA LYS A 36 -10.221 4.481 -12.785 1.00 0.00 C ATOM 507 C LYS A 36 -9.483 3.320 -12.139 1.00 0.00 C ATOM 508 O LYS A 36 -10.091 2.422 -11.556 1.00 0.00 O ATOM 509 CB LYS A 36 -9.993 5.762 -11.979 1.00 0.00 C ATOM 510 CG LYS A 36 -10.347 5.629 -10.505 1.00 0.00 C ATOM 511 CD LYS A 36 -11.551 6.481 -10.137 1.00 0.00 C ATOM 512 CE LYS A 36 -11.130 7.856 -9.642 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.096 8.913 -10.050 1.00 0.00 N ATOM 0 H LYS A 36 -11.948 3.330 -12.481 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.823 4.613 -13.791 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.947 6.055 -12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.587 6.565 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.556 4.585 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.492 5.925 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.201 6.589 -11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.132 5.977 -9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.046 7.841 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.142 8.096 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.773 9.835 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.157 8.945 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.033 8.698 -9.654 1.00 0.00 H new ATOM 527 N VAL A 37 -8.167 3.343 -12.274 1.00 0.00 N ATOM 528 CA VAL A 37 -7.320 2.298 -11.739 1.00 0.00 C ATOM 529 C VAL A 37 -5.989 2.866 -11.253 1.00 0.00 C ATOM 530 O VAL A 37 -5.467 3.826 -11.818 1.00 0.00 O ATOM 531 CB VAL A 37 -7.072 1.223 -12.816 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.905 1.876 -14.183 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.867 0.348 -12.473 1.00 0.00 C ATOM 0 H VAL A 37 -7.660 4.085 -12.756 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.829 1.847 -10.887 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.944 0.569 -12.847 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.730 1.106 -14.935 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.809 2.430 -14.434 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.056 2.559 -14.159 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.724 -0.397 -13.255 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.975 0.970 -12.398 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.041 -0.154 -11.521 1.00 0.00 H new ATOM 543 N HIS A 38 -5.445 2.262 -10.202 1.00 0.00 N ATOM 544 CA HIS A 38 -4.174 2.703 -9.639 1.00 0.00 C ATOM 545 C HIS A 38 -3.151 1.571 -9.670 1.00 0.00 C ATOM 546 O HIS A 38 -3.365 0.513 -9.079 1.00 0.00 O ATOM 547 CB HIS A 38 -4.368 3.191 -8.203 1.00 0.00 C ATOM 548 CG HIS A 38 -4.848 4.607 -8.114 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.179 4.958 -8.193 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.166 5.765 -7.949 1.00 0.00 C ATOM 551 CE1 HIS A 38 -6.296 6.269 -8.082 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.088 6.782 -7.933 1.00 0.00 N ATOM 0 H HIS A 38 -5.865 1.465 -9.723 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.801 3.528 -10.245 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.084 2.541 -7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.424 3.101 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.096 5.869 -7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.221 6.826 -8.109 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.875 7.773 -7.824 1.00 0.00 H new ATOM 561 N THR A 39 -2.041 1.801 -10.362 1.00 0.00 N ATOM 562 CA THR A 39 -0.987 0.799 -10.469 1.00 0.00 C ATOM 563 C THR A 39 0.105 1.053 -9.435 1.00 0.00 C ATOM 564 O THR A 39 0.490 2.196 -9.192 1.00 0.00 O ATOM 565 CB THR A 39 -0.389 0.798 -11.877 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.191 1.558 -12.766 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.245 -0.589 -12.463 1.00 0.00 C ATOM 0 H THR A 39 -1.848 2.672 -10.857 1.00 0.00 H new ATOM 0 HA THR A 39 -1.427 -0.179 -10.275 1.00 0.00 H new ATOM 0 HB THR A 39 0.603 1.236 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.790 1.546 -13.660 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.185 -0.519 -13.462 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.409 -1.186 -11.828 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.225 -1.063 -12.522 1.00 0.00 H new ATOM 575 N VAL A 40 0.594 -0.021 -8.824 1.00 0.00 N ATOM 576 CA VAL A 40 1.635 0.086 -7.810 1.00 0.00 C ATOM 577 C VAL A 40 2.837 -0.786 -8.151 1.00 0.00 C ATOM 578 O VAL A 40 2.684 -1.918 -8.602 1.00 0.00 O ATOM 579 CB VAL A 40 1.092 -0.319 -6.416 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.891 -1.466 -5.805 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.088 0.868 -5.479 1.00 0.00 C ATOM 0 H VAL A 40 0.286 -0.975 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 40 1.952 1.129 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 40 0.068 -0.665 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.477 -1.718 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.836 -2.337 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.932 -1.164 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.703 0.562 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.104 1.245 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.453 1.653 -5.890 1.00 0.00 H new ATOM 591 N VAL A 41 4.026 -0.261 -7.894 1.00 0.00 N ATOM 592 CA VAL A 41 5.254 -1.002 -8.131 1.00 0.00 C ATOM 593 C VAL A 41 5.808 -1.493 -6.799 1.00 0.00 C ATOM 594 O VAL A 41 6.515 -0.764 -6.105 1.00 0.00 O ATOM 595 CB VAL A 41 6.314 -0.142 -8.845 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.550 -0.970 -9.166 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.736 0.476 -10.109 1.00 0.00 C ATOM 0 H VAL A 41 4.166 0.678 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 41 5.020 -1.846 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 41 6.611 0.665 -8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.286 -0.344 -9.670 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.977 -1.360 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.273 -1.800 -9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.499 1.080 -10.600 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.409 -0.315 -10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.885 1.106 -9.850 1.00 0.00 H new ATOM 607 N LEU A 42 5.462 -2.731 -6.440 1.00 0.00 N ATOM 608 CA LEU A 42 5.897 -3.329 -5.178 1.00 0.00 C ATOM 609 C LEU A 42 7.367 -3.022 -4.873 1.00 0.00 C ATOM 610 O LEU A 42 7.777 -3.017 -3.712 1.00 0.00 O ATOM 611 CB LEU A 42 5.677 -4.845 -5.208 1.00 0.00 C ATOM 612 CG LEU A 42 4.221 -5.328 -5.107 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.777 -5.431 -3.662 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.274 -4.424 -5.862 1.00 0.00 C ATOM 0 H LEU A 42 4.878 -3.342 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 42 5.295 -2.887 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.102 -5.233 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.241 -5.288 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 42 4.189 -6.318 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.743 -5.775 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.416 -6.140 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.852 -4.453 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.256 -4.801 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.328 -3.416 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.554 -4.402 -6.915 1.00 0.00 H new ATOM 626 N SER A 43 8.151 -2.752 -5.913 1.00 0.00 N ATOM 627 CA SER A 43 9.563 -2.432 -5.743 1.00 0.00 C ATOM 628 C SER A 43 9.708 -1.010 -5.232 1.00 0.00 C ATOM 629 O SER A 43 10.413 -0.759 -4.255 1.00 0.00 O ATOM 630 CB SER A 43 10.319 -2.600 -7.062 1.00 0.00 C ATOM 631 OG SER A 43 11.410 -1.700 -7.151 1.00 0.00 O ATOM 0 H SER A 43 7.832 -2.749 -6.882 1.00 0.00 H new ATOM 0 HA SER A 43 9.992 -3.120 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.682 -3.624 -7.147 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.639 -2.433 -7.897 1.00 0.00 H new ATOM 0 HG SER A 43 12.121 -2.100 -7.694 1.00 0.00 H new ATOM 637 N THR A 44 9.012 -0.083 -5.882 1.00 0.00 N ATOM 638 CA THR A 44 9.042 1.298 -5.471 1.00 0.00 C ATOM 639 C THR A 44 8.424 1.412 -4.087 1.00 0.00 C ATOM 640 O THR A 44 8.774 2.297 -3.306 1.00 0.00 O ATOM 641 CB THR A 44 8.274 2.155 -6.471 1.00 0.00 C ATOM 642 OG1 THR A 44 6.882 1.905 -6.389 1.00 0.00 O ATOM 643 CG2 THR A 44 8.701 1.931 -7.907 1.00 0.00 C ATOM 0 H THR A 44 8.424 -0.272 -6.694 1.00 0.00 H new ATOM 0 HA THR A 44 10.072 1.653 -5.437 1.00 0.00 H new ATOM 0 HB THR A 44 8.503 3.185 -6.199 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.732 0.968 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.115 2.572 -8.565 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.759 2.172 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.537 0.888 -8.177 1.00 0.00 H new ATOM 651 N ILE A 45 7.512 0.486 -3.783 1.00 0.00 N ATOM 652 CA ILE A 45 6.863 0.461 -2.483 1.00 0.00 C ATOM 653 C ILE A 45 7.903 0.372 -1.366 1.00 0.00 C ATOM 654 O ILE A 45 8.540 -0.665 -1.183 1.00 0.00 O ATOM 655 CB ILE A 45 5.901 -0.738 -2.361 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.804 -0.661 -3.426 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.298 -0.798 -0.966 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.898 0.543 -3.286 1.00 0.00 C ATOM 0 H ILE A 45 7.211 -0.251 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 45 6.295 1.386 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 45 6.469 -1.653 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.269 -0.641 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.199 -1.566 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.622 -1.650 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.094 -0.907 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.745 0.120 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.147 0.527 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.404 0.515 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.490 1.455 -3.366 1.00 0.00 H new ATOM 670 N ASP A 46 8.070 1.460 -0.621 1.00 0.00 N ATOM 671 CA ASP A 46 9.033 1.496 0.476 1.00 0.00 C ATOM 672 C ASP A 46 8.807 0.332 1.439 1.00 0.00 C ATOM 673 O ASP A 46 9.750 -0.180 2.042 1.00 0.00 O ATOM 674 CB ASP A 46 8.929 2.822 1.230 1.00 0.00 C ATOM 675 CG ASP A 46 9.975 2.952 2.319 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.122 2.511 2.096 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.648 3.494 3.396 1.00 0.00 O ATOM 0 H ASP A 46 7.552 2.328 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 46 10.032 1.404 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.038 3.647 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.936 2.909 1.672 1.00 0.00 H new ATOM 682 N LYS A 47 7.551 -0.082 1.574 1.00 0.00 N ATOM 683 CA LYS A 47 7.198 -1.186 2.457 1.00 0.00 C ATOM 684 C LYS A 47 5.732 -1.569 2.287 1.00 0.00 C ATOM 685 O LYS A 47 4.946 -0.814 1.715 1.00 0.00 O ATOM 686 CB LYS A 47 7.479 -0.816 3.916 1.00 0.00 C ATOM 687 CG LYS A 47 6.593 0.299 4.447 1.00 0.00 C ATOM 688 CD LYS A 47 7.025 0.739 5.837 1.00 0.00 C ATOM 689 CE LYS A 47 5.828 0.971 6.745 1.00 0.00 C ATOM 690 NZ LYS A 47 6.200 0.897 8.185 1.00 0.00 N ATOM 0 H LYS A 47 6.760 0.332 1.081 1.00 0.00 H new ATOM 0 HA LYS A 47 7.813 -2.045 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.345 -1.701 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.522 -0.515 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.630 1.150 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.558 -0.040 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.673 -0.020 6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.611 1.655 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.395 1.948 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.060 0.228 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.356 1.061 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.590 -0.044 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.914 1.623 8.397 1.00 0.00 H new ATOM 704 N LEU A 48 5.370 -2.742 2.789 1.00 0.00 N ATOM 705 CA LEU A 48 3.998 -3.226 2.695 1.00 0.00 C ATOM 706 C LEU A 48 3.322 -3.196 4.065 1.00 0.00 C ATOM 707 O LEU A 48 3.738 -3.900 4.985 1.00 0.00 O ATOM 708 CB LEU A 48 3.979 -4.650 2.142 1.00 0.00 C ATOM 709 CG LEU A 48 2.592 -5.285 2.045 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.932 -4.918 0.726 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.684 -6.798 2.202 1.00 0.00 C ATOM 0 H LEU A 48 6.009 -3.378 3.267 1.00 0.00 H new ATOM 0 HA LEU A 48 3.449 -2.571 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.430 -4.645 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.607 -5.278 2.774 1.00 0.00 H new ATOM 0 HG LEU A 48 1.975 -4.897 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.945 -5.378 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.832 -3.835 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.545 -5.278 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.687 -7.233 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.316 -7.208 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.115 -7.037 3.174 1.00 0.00 H new ATOM 723 N GLN A 49 2.278 -2.383 4.198 1.00 0.00 N ATOM 724 CA GLN A 49 1.551 -2.272 5.456 1.00 0.00 C ATOM 725 C GLN A 49 0.166 -2.891 5.329 1.00 0.00 C ATOM 726 O GLN A 49 -0.455 -2.821 4.275 1.00 0.00 O ATOM 727 CB GLN A 49 1.422 -0.805 5.864 1.00 0.00 C ATOM 728 CG GLN A 49 1.555 -0.575 7.360 1.00 0.00 C ATOM 729 CD GLN A 49 1.726 0.890 7.712 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.980 1.436 8.526 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.711 1.535 7.098 1.00 0.00 N ATOM 0 H GLN A 49 1.917 -1.792 3.449 1.00 0.00 H new ATOM 0 HA GLN A 49 2.109 -2.810 6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.186 -0.224 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.455 -0.428 5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.671 -0.965 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.410 -1.137 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.305 1.043 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.874 2.523 7.294 1.00 0.00 H new ATOM 740 N ALA A 50 -0.310 -3.509 6.402 1.00 0.00 N ATOM 741 CA ALA A 50 -1.619 -4.139 6.389 1.00 0.00 C ATOM 742 C ALA A 50 -2.179 -4.270 7.802 1.00 0.00 C ATOM 743 O ALA A 50 -1.430 -4.481 8.757 1.00 0.00 O ATOM 744 CB ALA A 50 -1.515 -5.492 5.720 1.00 0.00 C ATOM 0 H ALA A 50 0.190 -3.586 7.288 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.310 -3.513 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.495 -5.968 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.160 -5.366 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.814 -6.118 6.272 1.00 0.00 H new ATOM 750 N THR A 51 -3.498 -4.144 7.934 1.00 0.00 N ATOM 751 CA THR A 51 -4.142 -4.249 9.239 1.00 0.00 C ATOM 752 C THR A 51 -3.883 -5.616 9.868 1.00 0.00 C ATOM 753 O THR A 51 -3.844 -6.632 9.172 1.00 0.00 O ATOM 754 CB THR A 51 -5.645 -4.011 9.108 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.215 -4.909 8.173 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.991 -2.606 8.667 1.00 0.00 C ATOM 0 H THR A 51 -4.137 -3.970 7.158 1.00 0.00 H new ATOM 0 HA THR A 51 -3.715 -3.485 9.889 1.00 0.00 H new ATOM 0 HB THR A 51 -6.052 -4.171 10.106 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.544 -5.704 8.642 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.074 -2.504 8.594 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.608 -1.891 9.395 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.541 -2.409 7.694 1.00 0.00 H new ATOM 847 N MET A 58 -10.014 -4.781 8.114 1.00 0.00 N ATOM 848 CA MET A 58 -9.127 -5.404 7.136 1.00 0.00 C ATOM 849 C MET A 58 -8.729 -4.406 6.054 1.00 0.00 C ATOM 850 O MET A 58 -9.557 -3.990 5.245 1.00 0.00 O ATOM 851 CB MET A 58 -9.808 -6.619 6.505 1.00 0.00 C ATOM 852 CG MET A 58 -10.268 -7.649 7.522 1.00 0.00 C ATOM 853 SD MET A 58 -12.023 -7.508 7.908 1.00 0.00 S ATOM 854 CE MET A 58 -12.750 -7.873 6.312 1.00 0.00 C ATOM 0 HA MET A 58 -8.224 -5.731 7.652 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.667 -6.284 5.924 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.117 -7.092 5.807 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.063 -8.649 7.139 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.688 -7.534 8.438 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.493 -7.113 6.068 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.971 -7.877 5.550 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.229 -8.851 6.346 1.00 0.00 H new ATOM 864 N MET A 59 -7.456 -4.018 6.051 1.00 0.00 N ATOM 865 CA MET A 59 -6.952 -3.063 5.076 1.00 0.00 C ATOM 866 C MET A 59 -5.483 -3.310 4.755 1.00 0.00 C ATOM 867 O MET A 59 -4.689 -3.641 5.636 1.00 0.00 O ATOM 868 CB MET A 59 -7.120 -1.639 5.603 1.00 0.00 C ATOM 869 CG MET A 59 -8.556 -1.279 5.946 1.00 0.00 C ATOM 870 SD MET A 59 -8.876 0.490 5.825 1.00 0.00 S ATOM 871 CE MET A 59 -8.359 1.040 7.449 1.00 0.00 C ATOM 0 H MET A 59 -6.757 -4.352 6.714 1.00 0.00 H new ATOM 0 HA MET A 59 -7.530 -3.192 4.161 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.502 -1.515 6.492 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.748 -0.938 4.856 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.230 -1.813 5.276 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.779 -1.616 6.958 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.497 2.118 7.529 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.958 0.540 8.210 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.307 0.797 7.598 1.00 0.00 H new ATOM 881 N LEU A 60 -5.127 -3.126 3.489 1.00 0.00 N ATOM 882 CA LEU A 60 -3.748 -3.304 3.043 1.00 0.00 C ATOM 883 C LEU A 60 -3.212 -1.998 2.466 1.00 0.00 C ATOM 884 O LEU A 60 -3.947 -1.247 1.829 1.00 0.00 O ATOM 885 CB LEU A 60 -3.649 -4.417 1.997 1.00 0.00 C ATOM 886 CG LEU A 60 -4.139 -5.802 2.440 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.664 -6.858 1.462 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.649 -6.148 3.836 1.00 0.00 C ATOM 0 H LEU A 60 -5.775 -2.853 2.750 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.146 -3.590 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.220 -4.115 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.608 -4.504 1.686 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.229 -5.777 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.017 -7.838 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.059 -6.639 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.575 -6.858 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.016 -7.136 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.559 -6.148 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.020 -5.409 4.546 1.00 0.00 H new ATOM 900 N ARG A 61 -1.934 -1.721 2.705 1.00 0.00 N ATOM 901 CA ARG A 61 -1.320 -0.489 2.219 1.00 0.00 C ATOM 902 C ARG A 61 0.126 -0.711 1.790 1.00 0.00 C ATOM 903 O ARG A 61 0.822 -1.566 2.332 1.00 0.00 O ATOM 904 CB ARG A 61 -1.363 0.573 3.317 1.00 0.00 C ATOM 905 CG ARG A 61 -0.941 1.958 2.853 1.00 0.00 C ATOM 906 CD ARG A 61 -1.308 3.023 3.874 1.00 0.00 C ATOM 907 NE ARG A 61 -0.225 3.272 4.821 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.285 4.177 5.795 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.375 4.918 5.955 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.746 4.341 6.612 1.00 0.00 N ATOM 0 H ARG A 61 -1.305 -2.329 3.230 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.885 -0.156 1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.376 0.628 3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.714 0.262 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.135 1.973 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.420 2.185 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.557 3.950 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.200 2.711 4.418 1.00 0.00 H new ATOM 0 HE ARG A 61 0.628 2.720 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.172 4.795 5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.416 5.610 6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.585 3.774 6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.700 5.035 7.358 1.00 0.00 H new ATOM 924 N LEU A 62 0.575 0.085 0.826 1.00 0.00 N ATOM 925 CA LEU A 62 1.946 0.006 0.336 1.00 0.00 C ATOM 926 C LEU A 62 2.586 1.391 0.367 1.00 0.00 C ATOM 927 O LEU A 62 2.152 2.297 -0.342 1.00 0.00 O ATOM 928 CB LEU A 62 1.992 -0.556 -1.088 1.00 0.00 C ATOM 929 CG LEU A 62 1.390 -1.951 -1.258 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.116 -1.874 -2.072 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.388 -2.906 -1.911 1.00 0.00 C ATOM 0 H LEU A 62 0.006 0.796 0.366 1.00 0.00 H new ATOM 0 HA LEU A 62 2.503 -0.669 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.466 0.132 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.031 -0.584 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 62 1.152 -2.343 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.304 -2.873 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.604 -1.234 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.337 -1.459 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.932 -3.890 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.667 -2.525 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.278 -2.985 -1.287 1.00 0.00 H new ATOM 943 N ILE A 63 3.610 1.555 1.194 1.00 0.00 N ATOM 944 CA ILE A 63 4.289 2.842 1.306 1.00 0.00 C ATOM 945 C ILE A 63 5.208 3.076 0.116 1.00 0.00 C ATOM 946 O ILE A 63 5.639 2.131 -0.537 1.00 0.00 O ATOM 947 CB ILE A 63 5.119 2.943 2.603 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.380 2.289 3.773 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.434 4.398 2.917 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.968 2.798 3.961 1.00 0.00 C ATOM 0 H ILE A 63 3.987 0.821 1.793 1.00 0.00 H new ATOM 0 HA ILE A 63 3.510 3.605 1.327 1.00 0.00 H new ATOM 0 HB ILE A 63 6.057 2.409 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.350 1.211 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.944 2.462 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.020 4.454 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.004 4.832 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.504 4.952 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.508 2.289 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.990 3.871 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.387 2.601 3.060 1.00 0.00 H new ATOM 962 N GLY A 64 5.499 4.342 -0.165 1.00 0.00 N ATOM 963 CA GLY A 64 6.363 4.674 -1.282 1.00 0.00 C ATOM 964 C GLY A 64 7.601 5.436 -0.851 1.00 0.00 C ATOM 965 O GLY A 64 7.548 6.250 0.070 1.00 0.00 O ATOM 0 H GLY A 64 5.152 5.144 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.663 3.758 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.805 5.271 -2.004 1.00 0.00 H new ATOM 991 N VAL A 66 10.115 8.071 -0.263 1.00 0.00 N ATOM 992 CA VAL A 66 10.020 9.525 -0.269 1.00 0.00 C ATOM 993 C VAL A 66 11.373 10.167 -0.546 1.00 0.00 C ATOM 994 O VAL A 66 12.420 9.548 -0.351 1.00 0.00 O ATOM 995 CB VAL A 66 9.480 10.061 1.073 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.435 9.730 2.206 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.241 11.564 0.996 1.00 0.00 C ATOM 0 HA VAL A 66 9.325 9.789 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 66 8.527 9.573 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.035 10.117 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.551 8.649 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.405 10.186 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.860 11.921 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.179 12.070 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.513 11.777 0.213 1.00 0.00 H new ATOM 1007 N ASP A 67 11.341 11.417 -0.986 1.00 0.00 N ATOM 1008 CA ASP A 67 12.558 12.161 -1.275 1.00 0.00 C ATOM 1009 C ASP A 67 12.776 13.229 -0.212 1.00 0.00 C ATOM 1010 O ASP A 67 12.897 14.416 -0.518 1.00 0.00 O ATOM 1011 CB ASP A 67 12.474 12.803 -2.661 1.00 0.00 C ATOM 1012 CG ASP A 67 11.319 13.778 -2.779 1.00 0.00 C ATOM 1013 OD1 ASP A 67 10.240 13.490 -2.220 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.494 14.830 -3.428 1.00 0.00 O ATOM 0 H ASP A 67 10.480 11.939 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 67 13.403 11.472 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.408 13.323 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.365 12.022 -3.414 1.00 0.00 H new ATOM 1019 N GLU A 68 12.814 12.796 1.044 1.00 0.00 N ATOM 1020 CA GLU A 68 13.004 13.707 2.165 1.00 0.00 C ATOM 1021 C GLU A 68 14.487 13.925 2.460 1.00 0.00 C ATOM 1022 O GLU A 68 14.900 13.960 3.619 1.00 0.00 O ATOM 1023 CB GLU A 68 12.301 13.164 3.411 1.00 0.00 C ATOM 1024 CG GLU A 68 12.827 11.812 3.866 1.00 0.00 C ATOM 1025 CD GLU A 68 13.756 11.920 5.059 1.00 0.00 C ATOM 1026 OE1 GLU A 68 13.257 12.130 6.184 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.985 11.794 4.868 1.00 0.00 O ATOM 0 H GLU A 68 12.715 11.816 1.311 1.00 0.00 H new ATOM 0 HA GLU A 68 12.567 14.668 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.415 13.881 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.233 13.080 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.987 11.167 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.355 11.335 3.040 1.00 0.00 H new ATOM 1034 N SER A 69 15.285 14.071 1.407 1.00 0.00 N ATOM 1035 CA SER A 69 16.720 14.287 1.559 1.00 0.00 C ATOM 1036 C SER A 69 17.108 15.705 1.150 1.00 0.00 C ATOM 1037 O SER A 69 18.168 16.203 1.531 1.00 0.00 O ATOM 1038 CB SER A 69 17.501 13.271 0.723 1.00 0.00 C ATOM 1039 OG SER A 69 18.897 13.407 0.929 1.00 0.00 O ATOM 0 H SER A 69 14.963 14.044 0.440 1.00 0.00 H new ATOM 0 HA SER A 69 16.971 14.153 2.611 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.188 12.261 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.271 13.411 -0.333 1.00 0.00 H new ATOM 0 HG SER A 69 19.374 12.746 0.385 1.00 0.00 H new ATOM 1045 N LYS A 70 16.244 16.352 0.374 1.00 0.00 N ATOM 1046 CA LYS A 70 16.498 17.712 -0.085 1.00 0.00 C ATOM 1047 C LYS A 70 16.127 18.727 0.992 1.00 0.00 C ATOM 1048 O LYS A 70 16.950 19.549 1.395 1.00 0.00 O ATOM 1049 CB LYS A 70 15.708 17.997 -1.364 1.00 0.00 C ATOM 1050 CG LYS A 70 15.779 16.875 -2.387 1.00 0.00 C ATOM 1051 CD LYS A 70 17.080 16.920 -3.173 1.00 0.00 C ATOM 1052 CE LYS A 70 17.522 15.529 -3.597 1.00 0.00 C ATOM 1053 NZ LYS A 70 16.774 15.048 -4.793 1.00 0.00 N ATOM 0 H LYS A 70 15.362 15.956 0.050 1.00 0.00 H new ATOM 0 HA LYS A 70 17.563 17.805 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.664 18.175 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.085 18.914 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.691 15.914 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.935 16.952 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.952 17.547 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.858 17.381 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.590 15.539 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.372 14.833 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.105 14.096 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.757 15.014 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.937 15.698 -5.589 1.00 0.00 H new ATOM 1067 N LYS A 71 14.883 18.661 1.455 1.00 0.00 N ATOM 1068 CA LYS A 71 14.401 19.573 2.486 1.00 0.00 C ATOM 1069 C LYS A 71 14.462 21.019 2.005 1.00 0.00 C ATOM 1070 O LYS A 71 15.489 21.686 2.139 1.00 0.00 O ATOM 1071 CB LYS A 71 15.225 19.413 3.764 1.00 0.00 C ATOM 1072 CG LYS A 71 15.445 17.964 4.168 1.00 0.00 C ATOM 1073 CD LYS A 71 16.914 17.673 4.436 1.00 0.00 C ATOM 1074 CE LYS A 71 17.328 18.128 5.826 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.318 17.005 6.804 1.00 0.00 N ATOM 0 H LYS A 71 14.190 17.985 1.133 1.00 0.00 H new ATOM 0 HA LYS A 71 13.362 19.324 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.193 19.894 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.723 19.936 4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.861 17.742 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.082 17.307 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.099 16.604 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.528 18.177 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.326 18.563 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.653 18.913 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.606 17.357 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.360 16.606 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.981 16.267 6.492 1.00 0.00 H new ATOM 1089 N ARG A 72 13.357 21.498 1.445 1.00 0.00 N ATOM 1090 CA ARG A 72 13.283 22.865 0.943 1.00 0.00 C ATOM 1091 C ARG A 72 12.677 23.797 1.988 1.00 0.00 C ATOM 1092 O ARG A 72 12.425 23.393 3.124 1.00 0.00 O ATOM 1093 CB ARG A 72 12.454 22.912 -0.343 1.00 0.00 C ATOM 1094 CG ARG A 72 13.296 22.976 -1.607 1.00 0.00 C ATOM 1095 CD ARG A 72 12.839 24.098 -2.525 1.00 0.00 C ATOM 1096 NE ARG A 72 13.399 23.969 -3.869 1.00 0.00 N ATOM 1097 CZ ARG A 72 14.640 24.326 -4.191 1.00 0.00 C ATOM 1098 NH1 ARG A 72 15.453 24.833 -3.273 1.00 0.00 N ATOM 1099 NH2 ARG A 72 15.071 24.176 -5.436 1.00 0.00 N ATOM 0 H ARG A 72 12.499 20.959 1.327 1.00 0.00 H new ATOM 0 HA ARG A 72 14.297 23.203 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.815 22.030 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.796 23.781 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.342 23.126 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.234 22.024 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.751 24.097 -2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.134 25.057 -2.100 1.00 0.00 H new ATOM 0 HE ARG A 72 12.804 23.583 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.128 24.951 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.403 25.104 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.451 23.787 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.022 24.450 -5.683 1.00 0.00 H new ATOM 1113 N LYS A 73 12.441 25.044 1.593 1.00 0.00 N ATOM 1114 CA LYS A 73 11.860 26.033 2.492 1.00 0.00 C ATOM 1115 C LYS A 73 10.647 26.699 1.850 1.00 0.00 C ATOM 1116 O LYS A 73 10.245 26.340 0.743 1.00 0.00 O ATOM 1117 CB LYS A 73 12.898 27.092 2.864 1.00 0.00 C ATOM 1118 CG LYS A 73 14.091 26.533 3.618 1.00 0.00 C ATOM 1119 CD LYS A 73 15.157 26.022 2.667 1.00 0.00 C ATOM 1120 CE LYS A 73 15.965 24.894 3.288 1.00 0.00 C ATOM 1121 NZ LYS A 73 17.254 25.380 3.852 1.00 0.00 N ATOM 0 H LYS A 73 12.643 25.393 0.656 1.00 0.00 H new ATOM 0 HA LYS A 73 11.538 25.519 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.249 27.580 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.420 27.859 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.514 27.307 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.764 25.723 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.688 25.671 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.823 26.840 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.380 24.419 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.163 24.132 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.775 24.581 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.824 25.810 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.065 26.089 4.589 1.00 0.00 H new ATOM 1135 N ASP A 74 10.070 27.672 2.547 1.00 0.00 N ATOM 1136 CA ASP A 74 8.905 28.386 2.037 1.00 0.00 C ATOM 1137 C ASP A 74 9.287 29.786 1.578 1.00 0.00 C ATOM 1138 O ASP A 74 8.801 30.273 0.557 1.00 0.00 O ATOM 1139 CB ASP A 74 7.816 28.464 3.109 1.00 0.00 C ATOM 1140 CG ASP A 74 6.498 28.972 2.557 1.00 0.00 C ATOM 1141 OD1 ASP A 74 6.305 30.206 2.521 1.00 0.00 O ATOM 1142 OD2 ASP A 74 5.659 28.136 2.162 1.00 0.00 O ATOM 0 H ASP A 74 10.389 27.984 3.464 1.00 0.00 H new ATOM 0 HA ASP A 74 8.518 27.835 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.668 27.476 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.148 29.121 3.913 1.00 0.00 H new ATOM 1147 N ASN A 75 10.164 30.420 2.343 1.00 0.00 N ATOM 1148 CA ASN A 75 10.637 31.770 2.038 1.00 0.00 C ATOM 1149 C ASN A 75 11.335 32.385 3.245 1.00 0.00 C ATOM 1150 O ASN A 75 12.241 33.207 3.103 1.00 0.00 O ATOM 1151 CB ASN A 75 9.475 32.669 1.599 1.00 0.00 C ATOM 1152 CG ASN A 75 9.455 32.896 0.100 1.00 0.00 C ATOM 1153 OD1 ASN A 75 8.519 32.488 -0.589 1.00 0.00 O ATOM 1154 ND2 ASN A 75 10.490 33.550 -0.413 1.00 0.00 N ATOM 0 H ASN A 75 10.568 30.019 3.189 1.00 0.00 H new ATOM 0 HA ASN A 75 11.352 31.693 1.219 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.533 32.217 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.550 33.630 2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.532 33.733 -1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.244 33.870 0.195 1.00 0.00 H new ATOM 1161 N GLU A 76 10.901 31.984 4.430 1.00 0.00 N ATOM 1162 CA GLU A 76 11.473 32.490 5.673 1.00 0.00 C ATOM 1163 C GLU A 76 12.305 31.419 6.368 1.00 0.00 C ATOM 1164 O GLU A 76 12.263 31.283 7.592 1.00 0.00 O ATOM 1165 CB GLU A 76 10.360 32.964 6.607 1.00 0.00 C ATOM 1166 CG GLU A 76 9.385 33.930 5.954 1.00 0.00 C ATOM 1167 CD GLU A 76 8.993 35.071 6.871 1.00 0.00 C ATOM 1168 OE1 GLU A 76 8.883 34.839 8.094 1.00 0.00 O ATOM 1169 OE2 GLU A 76 8.792 36.196 6.368 1.00 0.00 O ATOM 0 H GLU A 76 10.150 31.306 4.560 1.00 0.00 H new ATOM 0 HA GLU A 76 12.125 33.329 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.809 32.097 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.808 33.446 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.833 34.335 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.489 33.387 5.652 1.00 0.00 H new ATOM 1176 N GLY A 77 13.058 30.655 5.585 1.00 0.00 N ATOM 1177 CA GLY A 77 13.880 29.605 6.152 1.00 0.00 C ATOM 1178 C GLY A 77 13.055 28.456 6.703 1.00 0.00 C ATOM 1179 O GLY A 77 13.580 27.588 7.400 1.00 0.00 O ATOM 0 H GLY A 77 13.113 30.744 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.559 29.227 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.496 30.021 6.949 1.00 0.00 H new ATOM 1183 N ASN A 78 11.759 28.450 6.389 1.00 0.00 N ATOM 1184 CA ASN A 78 10.861 27.399 6.855 1.00 0.00 C ATOM 1185 C ASN A 78 11.365 26.023 6.424 1.00 0.00 C ATOM 1186 O ASN A 78 12.513 25.877 6.008 1.00 0.00 O ATOM 1187 CB ASN A 78 9.447 27.641 6.315 1.00 0.00 C ATOM 1188 CG ASN A 78 8.478 28.062 7.403 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.741 27.239 7.947 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.475 29.350 7.726 1.00 0.00 N ATOM 0 H ASN A 78 11.310 29.162 5.814 1.00 0.00 H new ATOM 0 HA ASN A 78 10.835 27.425 7.944 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.482 28.412 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.082 26.731 5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.845 29.692 8.451 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.103 29.997 7.249 1.00 0.00 H new ATOM 1197 N GLU A 79 10.505 25.015 6.524 1.00 0.00 N ATOM 1198 CA GLU A 79 10.877 23.660 6.142 1.00 0.00 C ATOM 1199 C GLU A 79 9.774 23.001 5.321 1.00 0.00 C ATOM 1200 O GLU A 79 8.641 22.864 5.781 1.00 0.00 O ATOM 1201 CB GLU A 79 11.177 22.820 7.384 1.00 0.00 C ATOM 1202 CG GLU A 79 12.067 23.525 8.395 1.00 0.00 C ATOM 1203 CD GLU A 79 13.101 22.599 9.006 1.00 0.00 C ATOM 1204 OE1 GLU A 79 12.711 21.708 9.790 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.301 22.766 8.701 1.00 0.00 O ATOM 0 H GLU A 79 9.549 25.111 6.865 1.00 0.00 H new ATOM 0 HA GLU A 79 11.775 23.719 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.237 22.550 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.656 21.890 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.573 24.359 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.448 23.946 9.187 1.00 0.00 H new ATOM 1212 N VAL A 80 10.116 22.600 4.103 1.00 0.00 N ATOM 1213 CA VAL A 80 9.160 21.959 3.211 1.00 0.00 C ATOM 1214 C VAL A 80 9.193 20.443 3.354 1.00 0.00 C ATOM 1215 O VAL A 80 8.208 19.829 3.763 1.00 0.00 O ATOM 1216 CB VAL A 80 9.434 22.326 1.752 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.433 21.653 0.824 1.00 0.00 C ATOM 1218 CG2 VAL A 80 9.421 23.836 1.572 1.00 0.00 C ATOM 0 H VAL A 80 11.051 22.708 3.710 1.00 0.00 H new ATOM 0 HA VAL A 80 8.173 22.322 3.496 1.00 0.00 H new ATOM 0 HB VAL A 80 10.426 21.961 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.650 21.930 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.507 20.571 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.424 21.975 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.618 24.080 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.445 24.228 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.191 24.284 2.200 1.00 0.00 H new ATOM 1228 N VAL A 81 10.337 19.852 3.016 1.00 0.00 N ATOM 1229 CA VAL A 81 10.526 18.411 3.097 1.00 0.00 C ATOM 1230 C VAL A 81 9.276 17.662 2.615 1.00 0.00 C ATOM 1231 O VAL A 81 8.333 17.439 3.374 1.00 0.00 O ATOM 1232 CB VAL A 81 10.913 18.020 4.541 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.203 16.760 5.025 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.422 17.855 4.655 1.00 0.00 C ATOM 0 H VAL A 81 11.155 20.360 2.679 1.00 0.00 H new ATOM 0 HA VAL A 81 11.340 18.119 2.434 1.00 0.00 H new ATOM 0 HB VAL A 81 10.584 18.833 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.515 16.536 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.125 16.918 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.461 15.924 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.682 17.580 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.755 17.073 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.911 18.794 4.397 1.00 0.00 H new ATOM 1244 N PRO A 82 9.249 17.280 1.325 1.00 0.00 N ATOM 1245 CA PRO A 82 8.109 16.572 0.737 1.00 0.00 C ATOM 1246 C PRO A 82 7.685 15.362 1.563 1.00 0.00 C ATOM 1247 O PRO A 82 8.519 14.566 1.991 1.00 0.00 O ATOM 1248 CB PRO A 82 8.633 16.129 -0.630 1.00 0.00 C ATOM 1249 CG PRO A 82 9.689 17.123 -0.968 1.00 0.00 C ATOM 1250 CD PRO A 82 10.320 17.520 0.338 1.00 0.00 C ATOM 0 HA PRO A 82 7.222 17.203 0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.038 15.118 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.839 16.125 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.428 16.692 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.262 17.989 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.206 16.923 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.633 18.564 0.331 1.00 0.00 H new ATOM 1258 N LYS A 83 6.380 15.230 1.781 1.00 0.00 N ATOM 1259 CA LYS A 83 5.842 14.117 2.555 1.00 0.00 C ATOM 1260 C LYS A 83 5.984 12.806 1.793 1.00 0.00 C ATOM 1261 O LYS A 83 6.188 12.797 0.579 1.00 0.00 O ATOM 1262 CB LYS A 83 4.374 14.368 2.900 1.00 0.00 C ATOM 1263 CG LYS A 83 4.176 15.154 4.186 1.00 0.00 C ATOM 1264 CD LYS A 83 3.946 16.630 3.906 1.00 0.00 C ATOM 1265 CE LYS A 83 3.386 17.347 5.123 1.00 0.00 C ATOM 1266 NZ LYS A 83 4.136 17.004 6.364 1.00 0.00 N ATOM 0 H LYS A 83 5.676 15.880 1.432 1.00 0.00 H new ATOM 0 HA LYS A 83 6.414 14.041 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.904 14.908 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.861 13.410 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.325 14.749 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.051 15.036 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.886 17.096 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.257 16.739 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.427 18.424 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.336 17.083 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.914 17.697 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.861 16.054 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.157 17.021 6.168 1.00 0.00 H new ATOM 1280 N PRO A 84 5.892 11.678 2.510 1.00 0.00 N ATOM 1281 CA PRO A 84 6.023 10.342 1.934 1.00 0.00 C ATOM 1282 C PRO A 84 4.722 9.853 1.306 1.00 0.00 C ATOM 1283 O PRO A 84 3.633 10.158 1.792 1.00 0.00 O ATOM 1284 CB PRO A 84 6.403 9.472 3.148 1.00 0.00 C ATOM 1285 CG PRO A 84 6.518 10.420 4.307 1.00 0.00 C ATOM 1286 CD PRO A 84 5.673 11.598 3.951 1.00 0.00 C ATOM 0 HA PRO A 84 6.754 10.311 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.645 8.712 3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.343 8.948 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.172 9.954 5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.554 10.716 4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.623 11.442 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.991 12.504 4.467 1.00 0.00 H new ATOM 1311 N ARG A 86 2.102 6.738 -0.194 1.00 0.00 N ATOM 1312 CA ARG A 86 1.657 5.410 0.212 1.00 0.00 C ATOM 1313 C ARG A 86 0.304 5.080 -0.409 1.00 0.00 C ATOM 1314 O ARG A 86 -0.585 5.929 -0.466 1.00 0.00 O ATOM 1315 CB ARG A 86 1.567 5.324 1.738 1.00 0.00 C ATOM 1316 CG ARG A 86 0.874 6.518 2.376 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.532 6.170 2.836 1.00 0.00 C ATOM 1318 NE ARG A 86 -1.332 7.362 3.107 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.764 8.195 2.162 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.477 7.969 0.887 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.486 9.257 2.495 1.00 0.00 N ATOM 0 HA ARG A 86 2.387 4.683 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.031 4.415 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.573 5.237 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.459 6.867 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.830 7.339 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.025 5.569 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.477 5.558 3.736 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.574 7.568 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.923 7.154 0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.811 8.611 0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.710 9.435 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.817 9.896 1.772 1.00 0.00 H new ATOM 1335 N HIS A 87 0.149 3.843 -0.873 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.103 3.414 -1.485 1.00 0.00 C ATOM 1337 C HIS A 87 -1.926 2.605 -0.491 1.00 0.00 C ATOM 1338 O HIS A 87 -1.552 1.493 -0.120 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.823 2.583 -2.741 1.00 0.00 C ATOM 1340 CG HIS A 87 0.407 3.010 -3.479 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.379 3.857 -4.567 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.711 2.708 -3.273 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.611 4.056 -5.000 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.438 3.371 -4.232 1.00 0.00 N ATOM 0 H HIS A 87 0.871 3.124 -0.837 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.672 4.299 -1.771 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.722 1.535 -2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.680 2.651 -3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.106 2.066 -2.499 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.894 4.674 -5.839 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.452 3.339 -4.334 1.00 0.00 H new ATOM 1353 N MET A 88 -3.045 3.176 -0.056 1.00 0.00 N ATOM 1354 CA MET A 88 -3.916 2.513 0.909 1.00 0.00 C ATOM 1355 C MET A 88 -5.032 1.744 0.214 1.00 0.00 C ATOM 1356 O MET A 88 -5.581 2.190 -0.792 1.00 0.00 O ATOM 1357 CB MET A 88 -4.512 3.539 1.875 1.00 0.00 C ATOM 1358 CG MET A 88 -4.501 3.088 3.328 1.00 0.00 C ATOM 1359 SD MET A 88 -6.138 2.630 3.929 1.00 0.00 S ATOM 1360 CE MET A 88 -6.021 3.131 5.645 1.00 0.00 C ATOM 0 H MET A 88 -3.370 4.095 -0.356 1.00 0.00 H new ATOM 0 HA MET A 88 -3.311 1.799 1.469 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.955 4.472 1.789 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.539 3.752 1.577 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.828 2.237 3.435 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.102 3.889 3.950 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.020 3.181 6.078 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.423 2.405 6.196 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.549 4.112 5.706 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.360 0.582 0.768 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.412 -0.263 0.218 1.00 0.00 C ATOM 1372 C PHE A 89 -7.246 -0.877 1.337 1.00 0.00 C ATOM 1373 O PHE A 89 -6.740 -1.651 2.146 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.807 -1.374 -0.641 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.901 -0.876 -1.729 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.552 -0.671 -1.485 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.395 -0.620 -2.997 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.714 -0.218 -2.485 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.561 -0.167 -4.002 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.219 0.034 -3.745 1.00 0.00 C ATOM 0 H PHE A 89 -4.910 0.203 1.601 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.057 0.358 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.247 -2.053 0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.614 -1.953 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.152 -0.868 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.444 -0.776 -3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.665 -0.061 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.958 0.029 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.565 0.388 -4.529 1.00 0.00 H new ATOM 1390 N SER A 90 -8.529 -0.531 1.376 1.00 0.00 N ATOM 1391 CA SER A 90 -9.425 -1.058 2.398 1.00 0.00 C ATOM 1392 C SER A 90 -10.099 -2.334 1.913 1.00 0.00 C ATOM 1393 O SER A 90 -10.870 -2.317 0.952 1.00 0.00 O ATOM 1394 CB SER A 90 -10.485 -0.020 2.767 1.00 0.00 C ATOM 1395 OG SER A 90 -10.025 1.294 2.506 1.00 0.00 O ATOM 0 H SER A 90 -8.969 0.109 0.715 1.00 0.00 H new ATOM 0 HA SER A 90 -8.832 -1.288 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.396 -0.209 2.200 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.741 -0.116 3.822 1.00 0.00 H new ATOM 0 HG SER A 90 -10.722 1.939 2.749 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.795 -3.440 2.577 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.361 -4.730 2.211 1.00 0.00 C ATOM 1403 C PHE A 91 -11.655 -5.009 2.969 1.00 0.00 C ATOM 1404 O PHE A 91 -11.749 -4.770 4.173 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.348 -5.838 2.487 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.299 -5.955 1.423 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.474 -4.884 1.120 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.142 -7.137 0.724 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.510 -4.993 0.135 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.182 -7.253 -0.262 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.364 -6.179 -0.557 1.00 0.00 C ATOM 0 H PHE A 91 -9.158 -3.470 3.373 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.595 -4.704 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.865 -5.650 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.874 -6.789 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.585 -3.955 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.778 -7.980 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.872 -4.152 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.071 -8.182 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.612 -6.267 -1.327 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.648 -5.526 2.252 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.938 -5.852 2.848 1.00 0.00 C ATOM 1423 C ASN A 92 -14.030 -7.348 3.133 1.00 0.00 C ATOM 1424 O ASN A 92 -15.113 -7.932 3.111 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.074 -5.428 1.915 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.570 -4.026 2.210 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.195 -3.420 3.214 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.418 -3.501 1.333 1.00 0.00 N ATOM 0 H ASN A 92 -12.583 -5.728 1.254 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.031 -5.309 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.730 -5.479 0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.901 -6.131 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.785 -2.560 1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.703 -4.038 0.514 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.880 -7.961 3.397 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.814 -9.389 3.683 1.00 0.00 C ATOM 1437 C ASN A 93 -11.396 -9.794 4.053 1.00 0.00 C ATOM 1438 O ASN A 93 -10.476 -9.690 3.241 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.293 -10.195 2.474 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.720 -10.680 2.628 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.333 -10.517 3.683 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.257 -11.281 1.573 1.00 0.00 N ATOM 0 H ASN A 93 -11.977 -7.487 3.419 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.468 -9.601 4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.217 -9.579 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.635 -11.052 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.215 -11.629 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.712 -11.395 0.718 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.225 -10.262 5.285 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.916 -10.689 5.764 1.00 0.00 C ATOM 1451 C ARG A 94 -9.336 -11.779 4.868 1.00 0.00 C ATOM 1452 O ARG A 94 -8.139 -12.055 4.911 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.014 -11.195 7.204 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.663 -11.487 7.839 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.507 -10.783 9.177 1.00 0.00 C ATOM 1456 NE ARG A 94 -7.159 -10.249 9.360 1.00 0.00 N ATOM 1457 CZ ARG A 94 -6.069 -11.006 9.459 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -6.162 -12.329 9.394 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -4.880 -10.440 9.622 1.00 0.00 N ATOM 0 H ARG A 94 -11.976 -10.355 5.969 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.249 -9.827 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.537 -10.452 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.618 -12.102 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.551 -12.562 7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.868 -11.168 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.231 -9.971 9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.733 -11.481 9.983 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.047 -9.237 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.073 -12.771 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.323 -12.904 9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.801 -9.424 9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.045 -11.021 9.698 1.00 0.00 H new ATOM 1473 N THR A 95 -10.189 -12.393 4.053 1.00 0.00 N ATOM 1474 CA THR A 95 -9.748 -13.444 3.150 1.00 0.00 C ATOM 1475 C THR A 95 -8.977 -12.845 1.979 1.00 0.00 C ATOM 1476 O THR A 95 -7.871 -13.283 1.661 1.00 0.00 O ATOM 1477 CB THR A 95 -10.952 -14.248 2.662 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.063 -15.466 3.378 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.913 -14.587 1.189 1.00 0.00 C ATOM 0 H THR A 95 -11.185 -12.180 4.001 1.00 0.00 H new ATOM 0 HA THR A 95 -9.078 -14.118 3.684 1.00 0.00 H new ATOM 0 HB THR A 95 -11.810 -13.598 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.840 -15.967 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.803 -15.158 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.884 -13.667 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.024 -15.181 0.976 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.563 -11.834 1.355 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.921 -11.164 0.229 1.00 0.00 C ATOM 1489 C VAL A 96 -7.668 -10.452 0.706 1.00 0.00 C ATOM 1490 O VAL A 96 -6.630 -10.484 0.045 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.848 -10.138 -0.466 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.758 -10.274 -1.977 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.283 -10.289 0.008 1.00 0.00 C ATOM 0 H VAL A 96 -10.478 -11.459 1.606 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.676 -11.935 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.512 -9.138 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.417 -9.544 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.732 -10.096 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.061 -11.279 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.912 -9.556 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.639 -11.293 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.329 -10.127 1.085 1.00 0.00 H new ATOM 1503 N MET A 97 -7.772 -9.814 1.869 1.00 0.00 N ATOM 1504 CA MET A 97 -6.641 -9.102 2.443 1.00 0.00 C ATOM 1505 C MET A 97 -5.549 -10.091 2.837 1.00 0.00 C ATOM 1506 O MET A 97 -4.361 -9.821 2.660 1.00 0.00 O ATOM 1507 CB MET A 97 -7.086 -8.260 3.644 1.00 0.00 C ATOM 1508 CG MET A 97 -7.061 -8.994 4.975 1.00 0.00 C ATOM 1509 SD MET A 97 -5.491 -8.811 5.839 1.00 0.00 S ATOM 1510 CE MET A 97 -6.019 -7.858 7.259 1.00 0.00 C ATOM 0 H MET A 97 -8.625 -9.777 2.428 1.00 0.00 H new ATOM 0 HA MET A 97 -6.234 -8.422 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.442 -7.383 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.098 -7.898 3.462 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.865 -8.619 5.608 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.257 -10.053 4.805 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.512 -6.893 7.258 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.097 -7.702 7.212 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.770 -8.398 8.173 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.961 -11.247 3.349 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.012 -12.282 3.737 1.00 0.00 C ATOM 1522 C ASP A 98 -4.309 -12.831 2.502 1.00 0.00 C ATOM 1523 O ASP A 98 -3.194 -13.345 2.581 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.723 -13.413 4.483 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.855 -13.133 5.968 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.979 -12.434 6.520 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.833 -13.611 6.578 1.00 0.00 O ATOM 0 H ASP A 98 -6.940 -11.489 3.504 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.271 -11.842 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.714 -13.560 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.172 -14.342 4.339 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.974 -12.703 1.357 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.428 -13.168 0.091 1.00 0.00 C ATOM 1534 C ASN A 99 -3.460 -12.137 -0.480 1.00 0.00 C ATOM 1535 O ASN A 99 -2.268 -12.403 -0.621 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.562 -13.433 -0.904 1.00 0.00 C ATOM 1537 CG ASN A 99 -5.815 -14.914 -1.110 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -4.978 -15.628 -1.660 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -6.977 -15.382 -0.669 1.00 0.00 N ATOM 0 H ASN A 99 -5.898 -12.278 1.283 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.885 -14.097 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.475 -12.958 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.317 -12.972 -1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.204 -16.370 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.642 -14.753 -0.218 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.981 -10.953 -0.795 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.162 -9.874 -1.340 1.00 0.00 C ATOM 1548 C ILE A 100 -1.964 -9.602 -0.437 1.00 0.00 C ATOM 1549 O ILE A 100 -0.817 -9.610 -0.885 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.971 -8.568 -1.497 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.203 -8.799 -2.379 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.095 -7.457 -2.066 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.893 -8.912 -3.855 1.00 0.00 C ATOM 0 H ILE A 100 -4.967 -10.717 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.822 -10.199 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.314 -8.256 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.704 -9.710 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.904 -7.978 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.684 -6.546 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.257 -7.274 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.717 -7.756 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.817 -9.075 -4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.420 -7.992 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.218 -9.751 -4.022 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.243 -9.363 0.840 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.197 -9.089 1.818 1.00 0.00 C ATOM 1567 C LYS A 101 -0.111 -10.160 1.769 1.00 0.00 C ATOM 1568 O LYS A 101 1.054 -9.892 2.061 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.797 -9.022 3.224 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.821 -8.531 4.280 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.282 -9.679 5.120 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.383 -10.337 5.936 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.882 -10.827 7.250 1.00 0.00 N ATOM 0 H LYS A 101 -3.188 -9.354 1.223 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.745 -8.128 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.665 -8.362 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.155 -10.013 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.007 -8.012 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.317 -7.808 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.183 -10.420 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.496 -9.309 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.191 -9.623 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.803 -11.171 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.663 -11.269 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.129 -11.527 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.504 -10.028 7.798 1.00 0.00 H new ATOM 1587 N MET A 102 -0.503 -11.375 1.393 1.00 0.00 N ATOM 1588 CA MET A 102 0.434 -12.484 1.297 1.00 0.00 C ATOM 1589 C MET A 102 1.157 -12.444 -0.040 1.00 0.00 C ATOM 1590 O MET A 102 2.382 -12.549 -0.100 1.00 0.00 O ATOM 1591 CB MET A 102 -0.298 -13.818 1.460 1.00 0.00 C ATOM 1592 CG MET A 102 -0.303 -14.338 2.888 1.00 0.00 C ATOM 1593 SD MET A 102 -0.266 -16.139 2.970 1.00 0.00 S ATOM 1594 CE MET A 102 -1.714 -16.553 2.002 1.00 0.00 C ATOM 0 H MET A 102 -1.465 -11.614 1.150 1.00 0.00 H new ATOM 0 HA MET A 102 1.167 -12.390 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.327 -13.702 1.121 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.169 -14.561 0.813 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.559 -13.936 3.420 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.193 -13.973 3.401 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.950 -17.609 2.134 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.558 -15.948 2.333 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.517 -16.354 0.949 1.00 0.00 H new ATOM 1604 N THR A 103 0.389 -12.280 -1.113 1.00 0.00 N ATOM 1605 CA THR A 103 0.942 -12.214 -2.447 1.00 0.00 C ATOM 1606 C THR A 103 2.032 -11.159 -2.536 1.00 0.00 C ATOM 1607 O THR A 103 3.173 -11.459 -2.885 1.00 0.00 O ATOM 1608 CB THR A 103 -0.169 -11.887 -3.433 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.426 -12.288 -2.922 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.010 -12.545 -4.770 1.00 0.00 C ATOM 0 H THR A 103 -0.626 -12.190 -1.075 1.00 0.00 H new ATOM 0 HA THR A 103 1.385 -13.180 -2.689 1.00 0.00 H new ATOM 0 HB THR A 103 -0.124 -10.807 -3.570 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.628 -11.776 -2.111 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.817 -12.270 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.950 -12.216 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.027 -13.627 -4.643 1.00 0.00 H new ATOM 1618 N LEU A 104 1.672 -9.920 -2.213 1.00 0.00 N ATOM 1619 CA LEU A 104 2.623 -8.816 -2.251 1.00 0.00 C ATOM 1620 C LEU A 104 3.928 -9.222 -1.575 1.00 0.00 C ATOM 1621 O LEU A 104 5.007 -9.109 -2.156 1.00 0.00 O ATOM 1622 CB LEU A 104 2.049 -7.581 -1.551 1.00 0.00 C ATOM 1623 CG LEU A 104 0.625 -7.190 -1.954 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.091 -6.532 -0.784 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.644 -6.256 -3.152 1.00 0.00 C ATOM 0 H LEU A 104 0.730 -9.657 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 104 2.816 -8.571 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.067 -7.755 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.708 -6.735 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 104 0.085 -8.095 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.103 -6.259 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.136 -7.229 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.452 -5.637 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.378 -5.990 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.199 -5.353 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.124 -6.754 -3.994 1.00 0.00 H new ATOM 1637 N GLN A 105 3.809 -9.703 -0.342 1.00 0.00 N ATOM 1638 CA GLN A 105 4.965 -10.137 0.432 1.00 0.00 C ATOM 1639 C GLN A 105 5.731 -11.240 -0.293 1.00 0.00 C ATOM 1640 O GLN A 105 6.959 -11.197 -0.375 1.00 0.00 O ATOM 1641 CB GLN A 105 4.521 -10.629 1.812 1.00 0.00 C ATOM 1642 CG GLN A 105 4.933 -9.708 2.949 1.00 0.00 C ATOM 1643 CD GLN A 105 4.043 -9.854 4.167 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.482 -10.317 5.219 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.784 -9.457 4.030 1.00 0.00 N ATOM 0 H GLN A 105 2.918 -9.802 0.144 1.00 0.00 H new ATOM 0 HA GLN A 105 5.631 -9.282 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.436 -10.737 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.941 -11.619 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.964 -9.921 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.904 -8.675 2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.463 -9.079 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.138 -9.530 4.816 1.00 0.00 H new ATOM 1654 N GLN A 106 5.008 -12.230 -0.821 1.00 0.00 N ATOM 1655 CA GLN A 106 5.645 -13.335 -1.536 1.00 0.00 C ATOM 1656 C GLN A 106 6.595 -12.797 -2.604 1.00 0.00 C ATOM 1657 O GLN A 106 7.634 -13.394 -2.889 1.00 0.00 O ATOM 1658 CB GLN A 106 4.579 -14.259 -2.150 1.00 0.00 C ATOM 1659 CG GLN A 106 4.449 -14.163 -3.665 1.00 0.00 C ATOM 1660 CD GLN A 106 3.436 -15.143 -4.225 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.515 -15.569 -3.527 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.602 -15.506 -5.491 1.00 0.00 N ATOM 0 H GLN A 106 3.991 -12.289 -0.767 1.00 0.00 H new ATOM 0 HA GLN A 106 6.232 -13.923 -0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.814 -15.289 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.614 -14.026 -1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.157 -13.149 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.421 -14.349 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.379 -15.128 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.952 -16.163 -5.923 1.00 0.00 H new ATOM 1671 N ILE A 107 6.231 -11.655 -3.175 1.00 0.00 N ATOM 1672 CA ILE A 107 7.041 -11.010 -4.197 1.00 0.00 C ATOM 1673 C ILE A 107 8.102 -10.125 -3.557 1.00 0.00 C ATOM 1674 O ILE A 107 9.289 -10.237 -3.861 1.00 0.00 O ATOM 1675 CB ILE A 107 6.174 -10.161 -5.142 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.903 -10.920 -5.538 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.976 -9.788 -6.369 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.821 -10.031 -6.114 1.00 0.00 C ATOM 0 H ILE A 107 5.373 -11.155 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 107 7.524 -11.797 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 107 5.873 -9.250 -4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.160 -11.686 -6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.510 -11.436 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.360 -9.186 -7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.853 -9.215 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.294 -10.694 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.952 -10.636 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.535 -9.281 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.196 -9.535 -7.009 1.00 0.00 H new ATOM 1690 N ILE A 108 7.658 -9.249 -2.663 1.00 0.00 N ATOM 1691 CA ILE A 108 8.553 -8.332 -1.953 1.00 0.00 C ATOM 1692 C ILE A 108 9.827 -9.028 -1.509 1.00 0.00 C ATOM 1693 O ILE A 108 10.930 -8.616 -1.862 1.00 0.00 O ATOM 1694 CB ILE A 108 7.875 -7.724 -0.709 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.513 -7.124 -1.086 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.792 -6.689 -0.062 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.301 -5.693 -0.629 1.00 0.00 C ATOM 0 H ILE A 108 6.675 -9.152 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 108 8.796 -7.539 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 108 7.696 -8.511 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.401 -7.165 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.727 -7.747 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.302 -6.267 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.725 -7.166 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.005 -5.894 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.313 -5.354 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.377 -5.643 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.061 -5.052 -1.076 1.00 0.00 H new ATOM 1709 N SER A 109 9.660 -10.084 -0.738 1.00 0.00 N ATOM 1710 CA SER A 109 10.795 -10.857 -0.234 1.00 0.00 C ATOM 1711 C SER A 109 11.788 -11.164 -1.350 1.00 0.00 C ATOM 1712 O SER A 109 12.981 -11.343 -1.105 1.00 0.00 O ATOM 1713 CB SER A 109 10.311 -12.160 0.404 1.00 0.00 C ATOM 1714 OG SER A 109 9.015 -12.504 -0.052 1.00 0.00 O ATOM 0 H SER A 109 8.749 -10.433 -0.442 1.00 0.00 H new ATOM 0 HA SER A 109 11.301 -10.256 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.008 -12.964 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.302 -12.055 1.489 1.00 0.00 H new ATOM 0 HG SER A 109 8.348 -11.962 0.419 1.00 0.00 H new ATOM 1720 N ARG A 110 11.284 -11.222 -2.574 1.00 0.00 N ATOM 1721 CA ARG A 110 12.116 -11.505 -3.735 1.00 0.00 C ATOM 1722 C ARG A 110 12.994 -10.310 -4.094 1.00 0.00 C ATOM 1723 O ARG A 110 14.050 -10.472 -4.700 1.00 0.00 O ATOM 1724 CB ARG A 110 11.248 -11.897 -4.931 1.00 0.00 C ATOM 1725 CG ARG A 110 10.180 -12.925 -4.597 1.00 0.00 C ATOM 1726 CD ARG A 110 9.497 -13.445 -5.852 1.00 0.00 C ATOM 1727 NE ARG A 110 9.046 -14.827 -5.697 1.00 0.00 N ATOM 1728 CZ ARG A 110 8.343 -15.484 -6.615 1.00 0.00 C ATOM 1729 NH1 ARG A 110 8.007 -14.891 -7.754 1.00 0.00 N ATOM 1730 NH2 ARG A 110 7.973 -16.738 -6.394 1.00 0.00 N ATOM 0 H ARG A 110 10.298 -11.076 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 110 12.769 -12.340 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.768 -11.003 -5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.888 -12.293 -5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.630 -13.757 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.438 -12.478 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.644 -12.810 -6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.187 -13.381 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 110 9.285 -15.316 -4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.288 -13.926 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.468 -15.400 -8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.228 -17.198 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.434 -17.242 -7.098 1.00 0.00 H new ATOM 1744 N TYR A 111 12.557 -9.115 -3.715 1.00 0.00 N ATOM 1745 CA TYR A 111 13.320 -7.904 -4.001 1.00 0.00 C ATOM 1746 C TYR A 111 14.505 -7.812 -3.056 1.00 0.00 C ATOM 1747 O TYR A 111 15.580 -7.343 -3.429 1.00 0.00 O ATOM 1748 CB TYR A 111 12.460 -6.637 -3.862 1.00 0.00 C ATOM 1749 CG TYR A 111 11.003 -6.784 -4.265 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.556 -7.853 -5.036 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.068 -5.835 -3.862 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.229 -7.970 -5.388 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.737 -5.947 -4.213 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.323 -7.016 -4.974 1.00 0.00 C ATOM 1755 OH TYR A 111 6.999 -7.133 -5.321 1.00 0.00 O ATOM 0 H TYR A 111 11.684 -8.958 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 111 13.663 -7.966 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.499 -6.305 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.907 -5.848 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.261 -8.603 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.389 -4.995 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.899 -8.806 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.026 -5.200 -3.892 1.00 0.00 H new ATOM 0 HH TYR A 111 6.462 -7.287 -4.516 1.00 0.00 H new ATOM 1765 N LYS A 112 14.300 -8.288 -1.833 1.00 0.00 N ATOM 1766 CA LYS A 112 15.348 -8.288 -0.828 1.00 0.00 C ATOM 1767 C LYS A 112 16.211 -9.501 -1.061 1.00 0.00 C ATOM 1768 O LYS A 112 17.440 -9.439 -1.042 1.00 0.00 O ATOM 1769 CB LYS A 112 14.794 -8.316 0.603 1.00 0.00 C ATOM 1770 CG LYS A 112 13.308 -8.570 0.673 1.00 0.00 C ATOM 1771 CD LYS A 112 12.549 -7.417 0.065 1.00 0.00 C ATOM 1772 CE LYS A 112 12.661 -6.172 0.913 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.405 -5.372 0.905 1.00 0.00 N ATOM 0 H LYS A 112 13.413 -8.679 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 112 15.920 -7.365 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.313 -9.090 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.014 -7.365 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.065 -9.492 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.004 -8.707 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.934 -7.214 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.499 -7.689 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.904 -6.453 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.484 -5.558 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.607 -4.405 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.020 -5.340 -0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.709 -5.812 1.540 1.00 0.00 H new ATOM 1787 N ASP A 113 15.527 -10.602 -1.320 1.00 0.00 N ATOM 1788 CA ASP A 113 16.188 -11.861 -1.610 1.00 0.00 C ATOM 1789 C ASP A 113 17.029 -11.700 -2.863 1.00 0.00 C ATOM 1790 O ASP A 113 18.090 -12.310 -3.004 1.00 0.00 O ATOM 1791 CB ASP A 113 15.162 -12.981 -1.795 1.00 0.00 C ATOM 1792 CG ASP A 113 15.810 -14.347 -1.906 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.028 -14.406 -2.181 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.101 -15.358 -1.718 1.00 0.00 O ATOM 0 H ASP A 113 14.508 -10.648 -1.335 1.00 0.00 H new ATOM 0 HA ASP A 113 16.830 -12.132 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.469 -12.978 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.574 -12.787 -2.692 1.00 0.00 H new ATOM 1799 N ALA A 114 16.550 -10.848 -3.762 1.00 0.00 N ATOM 1800 CA ALA A 114 17.254 -10.567 -4.998 1.00 0.00 C ATOM 1801 C ALA A 114 18.165 -9.354 -4.835 1.00 0.00 C ATOM 1802 O ALA A 114 19.091 -9.151 -5.620 1.00 0.00 O ATOM 1803 CB ALA A 114 16.274 -10.346 -6.141 1.00 0.00 C ATOM 0 H ALA A 114 15.672 -10.340 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 114 17.871 -11.432 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.825 -10.137 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.668 -11.241 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.626 -9.501 -5.907 1.00 0.00 H new