USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 850 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 124 ZNZN :(H bumps) USER MOD Set 1.1: A 41 SER OG : rot 66:sc= 1.29 USER MOD Set 1.2: A 61 HIS : no HD1:sc= 1.17 K(o=2.5,f=-4.2!) USER MOD Set 2.1: A 10 GLN : amide:sc= -0.611 K(o=-0.0046,f=-3.2) USER MOD Set 2.2: A 99 LYS NZ :NH3+ 180:sc= 0.607 (180deg=0) USER MOD Set 3.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 87 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 1 VAL N :NH3+ 170:sc= -0.0631 (180deg=-0.287) USER MOD Single : A 2 SER OG : rot 160:sc= 0.0455 USER MOD Single : A 3 LYS NZ :NH3+ -128:sc= -1.69! (180deg=-4.21!) USER MOD Single : A 6 ASN : amide:sc= -0.414 K(o=-0.41,f=-2.2!) USER MOD Single : A 7 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.26) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 151:sc= 1.14 (180deg=1.06) USER MOD Single : A 32 ASN : amide:sc=-0.00137 K(o=-0.0014,f=-0.89) USER MOD Single : A 36 ASN : amide:sc= 0.773 K(o=0.77,f=-8.6!) USER MOD Single : A 38 THR OG1 : rot -58:sc= 0.542 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -40:sc= 0.437 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -80:sc= 1.66 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -82:sc= 0.747 USER MOD Single : A 96 HIS : no HE2:sc= -1.43! C(o=-1.4!,f=-3.5!) USER MOD Single : A 100 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-3.2!) USER MOD Single : A 103 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 108 MET CE :methyl -118:sc= -0.466 (180deg=-3.56!) USER MOD Single : A 110 HIS : no HE2:sc= -1.35! C(o=-1.4!,f=-3.2!) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 45:sc= 0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.649 -8.817 -12.074 1.00 0.75 N ATOM 2 CA VAL A 1 -6.177 -8.943 -10.700 1.00 0.65 C ATOM 3 C VAL A 1 -5.454 -10.067 -9.964 1.00 0.73 C ATOM 4 O VAL A 1 -5.397 -11.203 -10.437 1.00 0.89 O ATOM 5 CB VAL A 1 -7.705 -9.195 -10.693 1.00 0.76 C ATOM 6 CG1 VAL A 1 -8.054 -10.404 -11.536 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.230 -9.361 -9.272 1.00 1.17 C ATOM 0 H1 VAL A 1 -6.254 -8.172 -12.621 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.681 -8.439 -12.041 1.00 0.75 H new ATOM 0 H3 VAL A 1 -5.640 -9.752 -12.529 1.00 0.75 H new ATOM 0 HA VAL A 1 -5.997 -7.999 -10.186 1.00 0.65 H new ATOM 0 HB VAL A 1 -8.189 -8.321 -11.129 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -9.132 -10.562 -11.517 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -7.730 -10.237 -12.563 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -7.551 -11.284 -11.136 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.305 -9.537 -9.300 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.736 -10.209 -8.798 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.025 -8.456 -8.700 1.00 1.17 H new ATOM 17 N SER A 2 -4.865 -9.737 -8.826 1.00 0.77 N ATOM 18 CA SER A 2 -4.200 -10.724 -8.001 1.00 1.05 C ATOM 19 C SER A 2 -5.221 -11.480 -7.162 1.00 0.74 C ATOM 20 O SER A 2 -6.002 -10.874 -6.431 1.00 0.74 O ATOM 21 CB SER A 2 -3.180 -10.018 -7.109 1.00 1.59 C ATOM 22 OG SER A 2 -3.697 -8.776 -6.649 1.00 2.17 O ATOM 0 H SER A 2 -4.836 -8.788 -8.454 1.00 0.77 H new ATOM 0 HA SER A 2 -3.684 -11.447 -8.632 1.00 1.05 H new ATOM 0 HB2 SER A 2 -2.931 -10.653 -6.258 1.00 1.59 H new ATOM 0 HB3 SER A 2 -2.257 -9.851 -7.664 1.00 1.59 H new ATOM 0 HG SER A 2 -3.202 -8.490 -5.853 1.00 2.17 H new ATOM 28 N LYS A 3 -5.228 -12.799 -7.272 1.00 1.00 N ATOM 29 CA LYS A 3 -6.161 -13.613 -6.500 1.00 1.20 C ATOM 30 C LYS A 3 -5.699 -13.731 -5.055 1.00 1.01 C ATOM 31 O LYS A 3 -6.437 -14.199 -4.189 1.00 1.21 O ATOM 32 CB LYS A 3 -6.363 -14.990 -7.135 1.00 1.77 C ATOM 33 CG LYS A 3 -5.088 -15.752 -7.430 1.00 2.09 C ATOM 34 CD LYS A 3 -5.368 -17.077 -8.129 1.00 2.48 C ATOM 35 CE LYS A 3 -5.990 -16.883 -9.508 1.00 2.97 C ATOM 36 NZ LYS A 3 -7.454 -16.610 -9.445 1.00 3.76 N ATOM 0 H LYS A 3 -4.605 -13.328 -7.882 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.129 -13.112 -6.507 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -6.983 -15.592 -6.471 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -6.918 -14.867 -8.065 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -4.437 -15.142 -8.056 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -4.553 -15.938 -6.499 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -4.438 -17.637 -8.228 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -6.037 -17.677 -7.512 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -5.492 -16.056 -10.014 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -5.816 -17.775 -10.109 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -7.957 -17.267 -10.074 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -7.790 -16.740 -8.469 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -7.638 -15.632 -9.747 1.00 3.76 H new ATOM 50 N TYR A 4 -4.475 -13.290 -4.798 1.00 0.82 N ATOM 51 CA TYR A 4 -3.998 -13.123 -3.431 1.00 0.74 C ATOM 52 C TYR A 4 -4.779 -12.011 -2.740 1.00 0.71 C ATOM 53 O TYR A 4 -4.822 -11.935 -1.515 1.00 0.85 O ATOM 54 CB TYR A 4 -2.500 -12.809 -3.410 1.00 0.79 C ATOM 55 CG TYR A 4 -1.625 -14.021 -3.186 1.00 0.97 C ATOM 56 CD1 TYR A 4 -1.340 -14.906 -4.220 1.00 1.18 C ATOM 57 CD2 TYR A 4 -1.087 -14.281 -1.933 1.00 1.63 C ATOM 58 CE1 TYR A 4 -0.544 -16.016 -4.008 1.00 1.59 C ATOM 59 CE2 TYR A 4 -0.292 -15.389 -1.713 1.00 2.20 C ATOM 60 CZ TYR A 4 -0.022 -16.252 -2.752 1.00 2.07 C ATOM 61 OH TYR A 4 0.768 -17.360 -2.533 1.00 2.69 O ATOM 0 H TYR A 4 -3.795 -13.042 -5.517 1.00 0.82 H new ATOM 0 HA TYR A 4 -4.157 -14.058 -2.894 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -2.223 -12.342 -4.355 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.302 -12.080 -2.624 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.747 -14.723 -5.204 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -1.294 -13.605 -1.116 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -0.332 -16.695 -4.821 1.00 1.59 H new ATOM 0 HE2 TYR A 4 0.116 -15.578 -0.731 1.00 2.20 H new ATOM 0 HH TYR A 4 1.055 -17.377 -1.596 1.00 2.69 H new ATOM 71 N ALA A 5 -5.402 -11.157 -3.542 1.00 0.72 N ATOM 72 CA ALA A 5 -6.227 -10.078 -3.023 1.00 0.78 C ATOM 73 C ALA A 5 -7.611 -10.595 -2.654 1.00 0.84 C ATOM 74 O ALA A 5 -8.273 -10.043 -1.780 1.00 1.03 O ATOM 75 CB ALA A 5 -6.347 -8.950 -4.038 1.00 1.02 C ATOM 0 H ALA A 5 -5.350 -11.193 -4.560 1.00 0.72 H new ATOM 0 HA ALA A 5 -5.745 -9.687 -2.127 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -6.969 -8.155 -3.627 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -5.356 -8.556 -4.263 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -6.802 -9.330 -4.952 1.00 1.02 H new ATOM 81 N ASN A 6 -8.034 -11.670 -3.321 1.00 0.88 N ATOM 82 CA ASN A 6 -9.367 -12.234 -3.114 1.00 1.15 C ATOM 83 C ASN A 6 -9.552 -12.599 -1.648 1.00 1.35 C ATOM 84 O ASN A 6 -10.543 -12.223 -1.021 1.00 1.76 O ATOM 85 CB ASN A 6 -9.567 -13.470 -4.004 1.00 1.22 C ATOM 86 CG ASN A 6 -10.999 -13.987 -4.006 1.00 1.60 C ATOM 87 OD1 ASN A 6 -11.735 -13.851 -3.028 1.00 2.19 O ATOM 88 ND2 ASN A 6 -11.401 -14.595 -5.110 1.00 2.25 N ATOM 0 H ASN A 6 -7.471 -12.168 -4.010 1.00 0.88 H new ATOM 0 HA ASN A 6 -10.114 -11.489 -3.388 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -9.276 -13.224 -5.025 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -8.902 -14.264 -3.665 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -12.348 -14.969 -5.170 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -10.764 -14.690 -5.901 1.00 2.25 H new ATOM 95 N ASN A 7 -8.582 -13.310 -1.102 1.00 1.33 N ATOM 96 CA ASN A 7 -8.582 -13.620 0.316 1.00 1.82 C ATOM 97 C ASN A 7 -7.244 -13.232 0.924 1.00 1.74 C ATOM 98 O ASN A 7 -6.384 -14.077 1.183 1.00 2.40 O ATOM 99 CB ASN A 7 -8.890 -15.101 0.559 1.00 2.31 C ATOM 100 CG ASN A 7 -8.917 -15.456 2.036 1.00 2.79 C ATOM 101 OD1 ASN A 7 -7.924 -15.918 2.598 1.00 3.33 O ATOM 102 ND2 ASN A 7 -10.049 -15.224 2.683 1.00 3.26 N ATOM 0 H ASN A 7 -7.785 -13.683 -1.618 1.00 1.33 H new ATOM 0 HA ASN A 7 -9.369 -13.043 0.801 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -9.854 -15.346 0.112 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -8.141 -15.712 0.056 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -10.118 -15.429 3.680 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -10.852 -14.840 2.185 1.00 3.26 H new ATOM 109 N LEU A 8 -7.059 -11.937 1.104 1.00 1.18 N ATOM 110 CA LEU A 8 -5.872 -11.414 1.754 1.00 1.17 C ATOM 111 C LEU A 8 -6.067 -11.409 3.266 1.00 0.94 C ATOM 112 O LEU A 8 -7.134 -11.776 3.763 1.00 1.12 O ATOM 113 CB LEU A 8 -5.549 -10.008 1.225 1.00 1.36 C ATOM 114 CG LEU A 8 -6.729 -9.028 1.161 1.00 1.46 C ATOM 115 CD1 LEU A 8 -7.068 -8.471 2.536 1.00 1.38 C ATOM 116 CD2 LEU A 8 -6.420 -7.899 0.193 1.00 2.10 C ATOM 0 H LEU A 8 -7.723 -11.222 0.806 1.00 1.18 H new ATOM 0 HA LEU A 8 -5.023 -12.058 1.524 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -4.774 -9.573 1.856 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -5.128 -10.105 0.224 1.00 1.36 H new ATOM 0 HG LEU A 8 -7.601 -9.576 0.803 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -7.908 -7.781 2.452 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -7.336 -9.289 3.204 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -6.203 -7.943 2.938 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -7.264 -7.210 0.156 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -5.531 -7.365 0.528 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -6.243 -8.310 -0.801 1.00 2.10 H new ATOM 128 N THR A 9 -5.040 -11.014 3.995 1.00 0.92 N ATOM 129 CA THR A 9 -5.115 -10.972 5.442 1.00 0.82 C ATOM 130 C THR A 9 -5.132 -9.527 5.931 1.00 0.67 C ATOM 131 O THR A 9 -4.319 -8.713 5.497 1.00 0.76 O ATOM 132 CB THR A 9 -3.925 -11.717 6.083 1.00 1.14 C ATOM 133 OG1 THR A 9 -3.758 -12.997 5.457 1.00 1.34 O ATOM 134 CG2 THR A 9 -4.155 -11.914 7.573 1.00 1.25 C ATOM 0 H THR A 9 -4.144 -10.718 3.608 1.00 0.92 H new ATOM 0 HA THR A 9 -6.039 -11.468 5.741 1.00 0.82 H new ATOM 0 HB THR A 9 -3.027 -11.116 5.940 1.00 1.14 H new ATOM 0 HG1 THR A 9 -3.000 -13.465 5.866 1.00 1.34 H new ATOM 0 HG21 THR A 9 -3.305 -12.441 8.006 1.00 1.25 H new ATOM 0 HG22 THR A 9 -4.264 -10.943 8.056 1.00 1.25 H new ATOM 0 HG23 THR A 9 -5.061 -12.500 7.727 1.00 1.25 H new ATOM 142 N GLN A 10 -6.078 -9.206 6.805 1.00 0.63 N ATOM 143 CA GLN A 10 -6.138 -7.887 7.423 1.00 0.63 C ATOM 144 C GLN A 10 -5.623 -7.967 8.854 1.00 0.66 C ATOM 145 O GLN A 10 -6.183 -8.679 9.687 1.00 0.85 O ATOM 146 CB GLN A 10 -7.566 -7.335 7.394 1.00 0.78 C ATOM 147 CG GLN A 10 -8.059 -7.008 5.993 1.00 0.90 C ATOM 148 CD GLN A 10 -9.450 -6.402 5.975 1.00 1.21 C ATOM 149 OE1 GLN A 10 -10.197 -6.566 5.010 1.00 1.49 O ATOM 150 NE2 GLN A 10 -9.808 -5.693 7.036 1.00 1.91 N ATOM 0 H GLN A 10 -6.817 -9.843 7.103 1.00 0.63 H new ATOM 0 HA GLN A 10 -5.506 -7.205 6.855 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -8.238 -8.064 7.847 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -7.612 -6.435 8.007 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -7.362 -6.315 5.522 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -8.058 -7.918 5.393 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -9.161 -5.580 7.816 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -10.731 -5.260 7.073 1.00 1.91 H new ATOM 159 N LEU A 11 -4.550 -7.244 9.127 1.00 0.56 N ATOM 160 CA LEU A 11 -3.857 -7.350 10.399 1.00 0.56 C ATOM 161 C LEU A 11 -3.737 -5.995 11.084 1.00 0.57 C ATOM 162 O LEU A 11 -2.883 -5.181 10.738 1.00 0.73 O ATOM 163 CB LEU A 11 -2.468 -7.950 10.173 1.00 0.62 C ATOM 164 CG LEU A 11 -1.532 -7.945 11.382 1.00 0.53 C ATOM 165 CD1 LEU A 11 -2.132 -8.731 12.536 1.00 0.91 C ATOM 166 CD2 LEU A 11 -0.177 -8.514 10.998 1.00 0.88 C ATOM 0 H LEU A 11 -4.138 -6.573 8.479 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.438 -8.000 11.053 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.589 -8.980 9.836 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -1.985 -7.404 9.362 1.00 0.62 H new ATOM 0 HG LEU A 11 -1.400 -6.914 11.709 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.447 -8.712 13.384 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -3.082 -8.282 12.827 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.298 -9.763 12.226 1.00 0.91 H new ATOM 0 HD21 LEU A 11 0.481 -8.505 11.867 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -0.299 -9.538 10.646 1.00 0.88 H new ATOM 0 HD23 LEU A 11 0.261 -7.907 10.205 1.00 0.88 H new ATOM 178 N ASP A 12 -4.597 -5.753 12.055 1.00 0.63 N ATOM 179 CA ASP A 12 -4.485 -4.562 12.875 1.00 0.83 C ATOM 180 C ASP A 12 -3.494 -4.818 14.006 1.00 0.94 C ATOM 181 O ASP A 12 -3.828 -5.409 15.034 1.00 1.05 O ATOM 182 CB ASP A 12 -5.859 -4.131 13.416 1.00 1.10 C ATOM 183 CG ASP A 12 -6.603 -5.247 14.126 1.00 1.44 C ATOM 184 OD1 ASP A 12 -7.017 -6.215 13.449 1.00 1.94 O ATOM 185 OD2 ASP A 12 -6.778 -5.167 15.359 1.00 2.02 O ATOM 0 H ASP A 12 -5.378 -6.363 12.295 1.00 0.63 H new ATOM 0 HA ASP A 12 -4.113 -3.740 12.263 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -5.725 -3.297 14.105 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -6.469 -3.766 12.589 1.00 1.10 H new ATOM 190 N ASN A 13 -2.259 -4.391 13.794 1.00 1.02 N ATOM 191 CA ASN A 13 -1.189 -4.619 14.754 1.00 1.28 C ATOM 192 C ASN A 13 -0.362 -3.349 14.904 1.00 1.44 C ATOM 193 O ASN A 13 0.668 -3.180 14.249 1.00 1.62 O ATOM 194 CB ASN A 13 -0.301 -5.789 14.299 1.00 1.46 C ATOM 195 CG ASN A 13 0.658 -6.268 15.381 1.00 1.77 C ATOM 196 OD1 ASN A 13 1.076 -5.507 16.255 1.00 1.90 O ATOM 197 ND2 ASN A 13 1.020 -7.541 15.329 1.00 2.47 N ATOM 0 H ASN A 13 -1.971 -3.881 12.959 1.00 1.02 H new ATOM 0 HA ASN A 13 -1.623 -4.878 15.720 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -0.935 -6.620 13.990 1.00 1.46 H new ATOM 0 HB3 ASN A 13 0.272 -5.483 13.424 1.00 1.46 H new ATOM 0 HD21 ASN A 13 1.663 -7.917 16.026 1.00 2.47 H new ATOM 0 HD22 ASN A 13 0.656 -8.145 14.592 1.00 2.47 H new ATOM 204 N GLY A 14 -0.847 -2.445 15.743 1.00 1.54 N ATOM 205 CA GLY A 14 -0.160 -1.188 15.971 1.00 1.82 C ATOM 206 C GLY A 14 -0.346 -0.228 14.816 1.00 1.62 C ATOM 207 O GLY A 14 0.413 0.730 14.659 1.00 1.79 O ATOM 0 H GLY A 14 -1.710 -2.560 16.274 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -0.533 -0.731 16.887 1.00 1.82 H new ATOM 0 HA3 GLY A 14 0.903 -1.377 16.119 1.00 1.82 H new ATOM 211 N VAL A 15 -1.369 -0.485 14.012 1.00 1.30 N ATOM 212 CA VAL A 15 -1.615 0.286 12.810 1.00 1.12 C ATOM 213 C VAL A 15 -2.461 1.524 13.098 1.00 1.26 C ATOM 214 O VAL A 15 -3.520 1.443 13.726 1.00 1.39 O ATOM 215 CB VAL A 15 -2.292 -0.588 11.731 1.00 0.92 C ATOM 216 CG1 VAL A 15 -3.605 -1.163 12.228 1.00 0.98 C ATOM 217 CG2 VAL A 15 -2.496 0.192 10.443 1.00 0.93 C ATOM 0 H VAL A 15 -2.046 -1.230 14.177 1.00 1.30 H new ATOM 0 HA VAL A 15 -0.649 0.623 12.435 1.00 1.12 H new ATOM 0 HB VAL A 15 -1.623 -1.422 11.518 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -4.055 -1.773 11.444 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -3.422 -1.780 13.108 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -4.282 -0.350 12.489 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -2.974 -0.448 9.702 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -3.130 1.057 10.638 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -1.531 0.527 10.064 1.00 0.93 H new ATOM 227 N ARG A 16 -1.969 2.670 12.660 1.00 1.34 N ATOM 228 CA ARG A 16 -2.699 3.918 12.778 1.00 1.54 C ATOM 229 C ARG A 16 -2.628 4.663 11.453 1.00 1.39 C ATOM 230 O ARG A 16 -1.650 5.353 11.169 1.00 1.49 O ATOM 231 CB ARG A 16 -2.110 4.761 13.913 1.00 1.95 C ATOM 232 CG ARG A 16 -3.035 5.858 14.435 1.00 2.24 C ATOM 233 CD ARG A 16 -3.191 7.007 13.448 1.00 2.54 C ATOM 234 NE ARG A 16 -3.912 8.137 14.032 1.00 3.18 N ATOM 235 CZ ARG A 16 -4.795 8.889 13.375 1.00 3.77 C ATOM 236 NH1 ARG A 16 -5.133 8.600 12.123 1.00 3.91 N ATOM 237 NH2 ARG A 16 -5.355 9.927 13.982 1.00 4.59 N ATOM 0 H ARG A 16 -1.056 2.761 12.214 1.00 1.34 H new ATOM 0 HA ARG A 16 -3.744 3.717 13.014 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -1.848 4.101 14.740 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -1.184 5.219 13.565 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -4.015 5.431 14.649 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -2.642 6.243 15.376 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -2.206 7.337 13.117 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -3.723 6.656 12.564 1.00 2.54 H new ATOM 0 HE ARG A 16 -3.727 8.365 15.009 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -4.716 7.796 11.655 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -5.810 9.183 11.630 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -5.109 10.147 14.947 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -6.031 10.505 13.483 1.00 4.59 H new ATOM 251 N ILE A 17 -3.658 4.501 10.638 1.00 1.28 N ATOM 252 CA ILE A 17 -3.692 5.119 9.322 1.00 1.19 C ATOM 253 C ILE A 17 -4.448 6.440 9.356 1.00 1.73 C ATOM 254 O ILE A 17 -5.565 6.514 9.869 1.00 2.16 O ATOM 255 CB ILE A 17 -4.346 4.196 8.273 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.720 2.806 8.325 1.00 1.00 C ATOM 257 CG2 ILE A 17 -4.159 4.792 6.890 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.261 2.803 7.944 1.00 0.64 C ATOM 0 H ILE A 17 -4.483 3.946 10.865 1.00 1.28 H new ATOM 0 HA ILE A 17 -2.656 5.299 9.036 1.00 1.19 H new ATOM 0 HB ILE A 17 -5.410 4.107 8.492 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -3.828 2.402 9.332 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.266 2.142 7.655 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -4.621 4.141 6.148 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -4.627 5.776 6.851 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -3.095 4.888 6.676 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -1.872 1.786 8.000 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -2.150 3.178 6.927 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -1.705 3.442 8.629 1.00 0.64 H new ATOM 270 N PRO A 18 -3.832 7.510 8.846 1.00 1.80 N ATOM 271 CA PRO A 18 -4.467 8.802 8.730 1.00 2.40 C ATOM 272 C PRO A 18 -5.186 8.966 7.395 1.00 2.55 C ATOM 273 O PRO A 18 -4.858 8.302 6.412 1.00 2.19 O ATOM 274 CB PRO A 18 -3.291 9.767 8.836 1.00 2.44 C ATOM 275 CG PRO A 18 -2.100 9.012 8.334 1.00 1.82 C ATOM 276 CD PRO A 18 -2.461 7.545 8.311 1.00 1.42 C ATOM 0 HA PRO A 18 -5.237 8.963 9.485 1.00 2.40 H new ATOM 0 HB2 PRO A 18 -3.465 10.663 8.241 1.00 2.44 H new ATOM 0 HB3 PRO A 18 -3.143 10.092 9.866 1.00 2.44 H new ATOM 0 HG2 PRO A 18 -1.824 9.353 7.336 1.00 1.82 H new ATOM 0 HG3 PRO A 18 -1.239 9.184 8.980 1.00 1.82 H new ATOM 0 HD2 PRO A 18 -2.416 7.138 7.301 1.00 1.42 H new ATOM 0 HD3 PRO A 18 -1.778 6.956 8.923 1.00 1.42 H new ATOM 284 N PRO A 19 -6.178 9.859 7.351 1.00 3.21 N ATOM 285 CA PRO A 19 -6.900 10.188 6.123 1.00 3.52 C ATOM 286 C PRO A 19 -6.072 11.079 5.200 1.00 3.11 C ATOM 287 O PRO A 19 -6.506 11.430 4.102 1.00 3.33 O ATOM 288 CB PRO A 19 -8.139 10.953 6.609 1.00 4.30 C ATOM 289 CG PRO A 19 -8.085 10.952 8.105 1.00 4.44 C ATOM 290 CD PRO A 19 -6.679 10.611 8.502 1.00 3.79 C ATOM 0 HA PRO A 19 -7.139 9.294 5.547 1.00 3.52 H new ATOM 0 HB2 PRO A 19 -8.141 11.972 6.222 1.00 4.30 H new ATOM 0 HB3 PRO A 19 -9.052 10.476 6.254 1.00 4.30 H new ATOM 0 HG2 PRO A 19 -8.370 11.927 8.500 1.00 4.44 H new ATOM 0 HG3 PRO A 19 -8.787 10.225 8.514 1.00 4.44 H new ATOM 0 HD2 PRO A 19 -6.085 11.506 8.687 1.00 3.79 H new ATOM 0 HD3 PRO A 19 -6.652 10.016 9.415 1.00 3.79 H new ATOM 298 N SER A 20 -4.880 11.444 5.663 1.00 2.62 N ATOM 299 CA SER A 20 -4.006 12.349 4.936 1.00 2.22 C ATOM 300 C SER A 20 -2.624 12.355 5.576 1.00 1.11 C ATOM 301 O SER A 20 -2.469 11.938 6.726 1.00 1.53 O ATOM 302 CB SER A 20 -4.597 13.762 4.943 1.00 3.11 C ATOM 303 OG SER A 20 -4.905 14.177 6.267 1.00 3.71 O ATOM 0 H SER A 20 -4.497 11.120 6.551 1.00 2.62 H new ATOM 0 HA SER A 20 -3.917 12.010 3.904 1.00 2.22 H new ATOM 0 HB2 SER A 20 -3.889 14.459 4.495 1.00 3.11 H new ATOM 0 HB3 SER A 20 -5.499 13.786 4.331 1.00 3.11 H new ATOM 0 HG SER A 20 -5.279 15.082 6.247 1.00 3.71 H new ATOM 309 N GLY A 21 -1.626 12.827 4.842 1.00 1.33 N ATOM 310 CA GLY A 21 -0.283 12.897 5.382 1.00 1.87 C ATOM 311 C GLY A 21 0.395 11.544 5.427 1.00 1.69 C ATOM 312 O GLY A 21 1.006 11.183 6.434 1.00 2.56 O ATOM 0 H GLY A 21 -1.722 13.162 3.883 1.00 1.33 H new ATOM 0 HA2 GLY A 21 0.314 13.579 4.776 1.00 1.87 H new ATOM 0 HA3 GLY A 21 -0.321 13.315 6.388 1.00 1.87 H new ATOM 316 N TRP A 22 0.283 10.796 4.338 1.00 0.80 N ATOM 317 CA TRP A 22 0.896 9.476 4.249 1.00 0.60 C ATOM 318 C TRP A 22 2.408 9.614 4.270 1.00 0.47 C ATOM 319 O TRP A 22 2.948 10.645 3.858 1.00 0.57 O ATOM 320 CB TRP A 22 0.469 8.763 2.963 1.00 0.60 C ATOM 321 CG TRP A 22 -0.972 8.965 2.618 1.00 0.94 C ATOM 322 CD1 TRP A 22 -1.486 9.980 1.876 1.00 1.96 C ATOM 323 CD2 TRP A 22 -2.079 8.139 2.991 1.00 1.26 C ATOM 324 NE1 TRP A 22 -2.846 9.849 1.768 1.00 2.25 N ATOM 325 CE2 TRP A 22 -3.236 8.722 2.441 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.204 6.965 3.733 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -4.501 8.169 2.613 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -3.459 6.419 3.903 1.00 2.82 C ATOM 329 CH2 TRP A 22 -4.593 7.019 3.346 1.00 2.65 C ATOM 0 H TRP A 22 -0.227 11.081 3.502 1.00 0.80 H new ATOM 0 HA TRP A 22 0.565 8.884 5.102 1.00 0.60 H new ATOM 0 HB2 TRP A 22 1.085 9.120 2.138 1.00 0.60 H new ATOM 0 HB3 TRP A 22 0.663 7.696 3.067 1.00 0.60 H new ATOM 0 HD1 TRP A 22 -0.906 10.777 1.434 1.00 1.96 H new ATOM 0 HE1 TRP A 22 -3.466 10.486 1.268 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -1.335 6.492 4.166 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -5.378 8.631 2.183 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -3.568 5.511 4.477 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -5.561 6.564 3.498 1.00 2.65 H new ATOM 340 N LYS A 23 3.088 8.579 4.734 1.00 0.41 N ATOM 341 CA LYS A 23 4.536 8.610 4.826 1.00 0.39 C ATOM 342 C LYS A 23 5.062 7.250 5.229 1.00 0.37 C ATOM 343 O LYS A 23 4.453 6.558 6.046 1.00 0.39 O ATOM 344 CB LYS A 23 4.979 9.667 5.833 1.00 0.51 C ATOM 345 CG LYS A 23 6.477 9.899 5.858 1.00 0.59 C ATOM 346 CD LYS A 23 6.801 11.213 6.526 1.00 0.70 C ATOM 347 CE LYS A 23 5.995 12.325 5.893 1.00 0.67 C ATOM 348 NZ LYS A 23 6.427 13.666 6.362 1.00 1.23 N ATOM 0 H LYS A 23 2.661 7.709 5.052 1.00 0.41 H new ATOM 0 HA LYS A 23 4.943 8.868 3.848 1.00 0.39 H new ATOM 0 HB2 LYS A 23 4.479 10.608 5.602 1.00 0.51 H new ATOM 0 HB3 LYS A 23 4.651 9.367 6.828 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.968 9.084 6.390 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.868 9.896 4.840 1.00 0.59 H new ATOM 0 HD2 LYS A 23 6.580 11.153 7.592 1.00 0.70 H new ATOM 0 HD3 LYS A 23 7.866 11.425 6.433 1.00 0.70 H new ATOM 0 HE2 LYS A 23 6.094 12.272 4.809 1.00 0.67 H new ATOM 0 HE3 LYS A 23 4.939 12.184 6.124 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 6.246 14.369 5.617 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 5.894 13.923 7.217 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 7.444 13.647 6.580 1.00 1.23 H new ATOM 362 N CYS A 24 6.189 6.870 4.652 1.00 0.37 N ATOM 363 CA CYS A 24 6.746 5.564 4.894 1.00 0.40 C ATOM 364 C CYS A 24 7.360 5.473 6.281 1.00 0.48 C ATOM 365 O CYS A 24 7.675 6.492 6.895 1.00 0.57 O ATOM 366 CB CYS A 24 7.782 5.203 3.840 1.00 0.46 C ATOM 367 SG CYS A 24 9.214 6.294 3.741 1.00 0.80 S ATOM 0 H CYS A 24 6.731 7.452 4.014 1.00 0.37 H new ATOM 0 HA CYS A 24 5.926 4.848 4.833 1.00 0.40 H new ATOM 0 HB2 CYS A 24 8.134 4.190 4.035 1.00 0.46 H new ATOM 0 HB3 CYS A 24 7.292 5.188 2.866 1.00 0.46 H new ATOM 372 N ALA A 25 7.500 4.252 6.767 1.00 0.50 N ATOM 373 CA ALA A 25 8.054 3.988 8.087 1.00 0.62 C ATOM 374 C ALA A 25 9.372 4.732 8.327 1.00 0.70 C ATOM 375 O ALA A 25 9.491 5.522 9.263 1.00 0.90 O ATOM 376 CB ALA A 25 8.252 2.489 8.252 1.00 0.72 C ATOM 0 H ALA A 25 7.232 3.411 6.256 1.00 0.50 H new ATOM 0 HA ALA A 25 7.348 4.357 8.830 1.00 0.62 H new ATOM 0 HB1 ALA A 25 8.667 2.283 9.239 1.00 0.72 H new ATOM 0 HB2 ALA A 25 7.293 1.982 8.149 1.00 0.72 H new ATOM 0 HB3 ALA A 25 8.938 2.126 7.487 1.00 0.72 H new ATOM 382 N ARG A 26 10.350 4.484 7.463 1.00 0.72 N ATOM 383 CA ARG A 26 11.690 5.048 7.637 1.00 0.88 C ATOM 384 C ARG A 26 11.814 6.483 7.107 1.00 0.84 C ATOM 385 O ARG A 26 11.671 7.442 7.861 1.00 0.94 O ATOM 386 CB ARG A 26 12.736 4.166 6.965 1.00 1.00 C ATOM 387 CG ARG A 26 13.289 3.058 7.848 1.00 1.18 C ATOM 388 CD ARG A 26 12.218 2.105 8.332 1.00 1.06 C ATOM 389 NE ARG A 26 12.766 0.779 8.601 1.00 1.71 N ATOM 390 CZ ARG A 26 12.241 -0.096 9.457 1.00 1.86 C ATOM 391 NH1 ARG A 26 11.191 0.232 10.201 1.00 1.80 N ATOM 392 NH2 ARG A 26 12.786 -1.299 9.583 1.00 2.59 N ATOM 0 H ARG A 26 10.244 3.897 6.635 1.00 0.72 H new ATOM 0 HA ARG A 26 11.866 5.082 8.712 1.00 0.88 H new ATOM 0 HB2 ARG A 26 12.297 3.718 6.074 1.00 1.00 H new ATOM 0 HB3 ARG A 26 13.562 4.794 6.632 1.00 1.00 H new ATOM 0 HG2 ARG A 26 14.042 2.499 7.293 1.00 1.18 H new ATOM 0 HG3 ARG A 26 13.790 3.501 8.708 1.00 1.18 H new ATOM 0 HD2 ARG A 26 11.759 2.501 9.238 1.00 1.06 H new ATOM 0 HD3 ARG A 26 11.430 2.029 7.582 1.00 1.06 H new ATOM 0 HE ARG A 26 13.610 0.503 8.098 1.00 1.71 H new ATOM 0 HH11 ARG A 26 10.779 1.162 10.120 1.00 1.80 H new ATOM 0 HH12 ARG A 26 10.797 -0.446 10.853 1.00 1.80 H new ATOM 0 HH21 ARG A 26 13.603 -1.550 9.026 1.00 2.59 H new ATOM 0 HH22 ARG A 26 12.388 -1.973 10.237 1.00 2.59 H new ATOM 406 N CYS A 27 12.117 6.615 5.810 1.00 0.75 N ATOM 407 CA CYS A 27 12.377 7.923 5.194 1.00 0.75 C ATOM 408 C CYS A 27 11.199 8.890 5.310 1.00 0.75 C ATOM 409 O CYS A 27 10.064 8.494 5.569 1.00 0.85 O ATOM 410 CB CYS A 27 12.718 7.739 3.717 1.00 0.75 C ATOM 411 SG CYS A 27 12.954 6.019 3.232 1.00 0.76 S ATOM 0 H CYS A 27 12.188 5.829 5.164 1.00 0.75 H new ATOM 0 HA CYS A 27 13.214 8.360 5.739 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.920 8.170 3.113 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.626 8.298 3.491 1.00 0.75 H new ATOM 416 N ASP A 28 11.487 10.159 5.071 1.00 0.72 N ATOM 417 CA ASP A 28 10.485 11.214 5.119 1.00 0.74 C ATOM 418 C ASP A 28 9.953 11.493 3.715 1.00 0.68 C ATOM 419 O ASP A 28 9.996 12.616 3.212 1.00 0.89 O ATOM 420 CB ASP A 28 11.102 12.471 5.746 1.00 0.86 C ATOM 421 CG ASP A 28 10.172 13.673 5.772 1.00 1.34 C ATOM 422 OD1 ASP A 28 9.023 13.523 6.241 1.00 2.00 O ATOM 423 OD2 ASP A 28 10.566 14.758 5.303 1.00 1.66 O ATOM 0 H ASP A 28 12.424 10.488 4.838 1.00 0.72 H new ATOM 0 HA ASP A 28 9.643 10.899 5.736 1.00 0.74 H new ATOM 0 HB2 ASP A 28 11.410 12.241 6.766 1.00 0.86 H new ATOM 0 HB3 ASP A 28 12.003 12.735 5.193 1.00 0.86 H new ATOM 428 N LEU A 29 9.493 10.441 3.061 1.00 0.53 N ATOM 429 CA LEU A 29 8.855 10.583 1.769 1.00 0.47 C ATOM 430 C LEU A 29 7.370 10.822 1.921 1.00 0.48 C ATOM 431 O LEU A 29 6.690 10.142 2.689 1.00 0.51 O ATOM 432 CB LEU A 29 9.113 9.361 0.900 1.00 0.46 C ATOM 433 CG LEU A 29 10.430 9.408 0.144 1.00 0.48 C ATOM 434 CD1 LEU A 29 10.668 8.110 -0.596 1.00 0.52 C ATOM 435 CD2 LEU A 29 10.427 10.584 -0.811 1.00 0.56 C ATOM 0 H LEU A 29 9.550 9.482 3.404 1.00 0.53 H new ATOM 0 HA LEU A 29 9.290 11.452 1.276 1.00 0.47 H new ATOM 0 HB2 LEU A 29 9.098 8.471 1.529 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.298 9.259 0.184 1.00 0.46 H new ATOM 0 HG LEU A 29 11.245 9.537 0.856 1.00 0.48 H new ATOM 0 HD11 LEU A 29 11.616 8.165 -1.131 1.00 0.52 H new ATOM 0 HD12 LEU A 29 10.700 7.286 0.116 1.00 0.52 H new ATOM 0 HD13 LEU A 29 9.859 7.943 -1.308 1.00 0.52 H new ATOM 0 HD21 LEU A 29 11.373 10.616 -1.352 1.00 0.56 H new ATOM 0 HD22 LEU A 29 9.607 10.475 -1.520 1.00 0.56 H new ATOM 0 HD23 LEU A 29 10.300 11.509 -0.249 1.00 0.56 H new ATOM 447 N ARG A 30 6.881 11.792 1.176 1.00 0.51 N ATOM 448 CA ARG A 30 5.495 12.213 1.263 1.00 0.59 C ATOM 449 C ARG A 30 4.702 11.647 0.085 1.00 0.60 C ATOM 450 O ARG A 30 3.492 11.845 -0.027 1.00 0.71 O ATOM 451 CB ARG A 30 5.435 13.738 1.240 1.00 0.72 C ATOM 452 CG ARG A 30 6.404 14.383 2.211 1.00 0.94 C ATOM 453 CD ARG A 30 6.442 15.886 2.039 1.00 1.06 C ATOM 454 NE ARG A 30 5.141 16.502 2.284 1.00 2.05 N ATOM 455 CZ ARG A 30 4.969 17.629 2.971 1.00 2.56 C ATOM 456 NH1 ARG A 30 6.022 18.309 3.415 1.00 2.36 N ATOM 457 NH2 ARG A 30 3.742 18.088 3.190 1.00 3.67 N ATOM 0 H ARG A 30 7.432 12.312 0.493 1.00 0.51 H new ATOM 0 HA ARG A 30 5.059 11.841 2.191 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.652 14.090 0.231 1.00 0.72 H new ATOM 0 HB3 ARG A 30 4.421 14.060 1.479 1.00 0.72 H new ATOM 0 HG2 ARG A 30 6.113 14.140 3.233 1.00 0.94 H new ATOM 0 HG3 ARG A 30 7.402 13.973 2.058 1.00 0.94 H new ATOM 0 HD2 ARG A 30 7.177 16.310 2.723 1.00 1.06 H new ATOM 0 HD3 ARG A 30 6.771 16.126 1.028 1.00 1.06 H new ATOM 0 HE ARG A 30 4.314 16.041 1.906 1.00 2.05 H new ATOM 0 HH11 ARG A 30 6.965 17.967 3.229 1.00 2.36 H new ATOM 0 HH12 ARG A 30 5.887 19.172 3.941 1.00 2.36 H new ATOM 0 HH21 ARG A 30 2.935 17.577 2.832 1.00 3.67 H new ATOM 0 HH22 ARG A 30 3.607 18.951 3.716 1.00 3.67 H new ATOM 471 N GLU A 31 5.412 10.936 -0.785 1.00 0.55 N ATOM 472 CA GLU A 31 4.864 10.463 -2.045 1.00 0.65 C ATOM 473 C GLU A 31 5.561 9.158 -2.434 1.00 0.55 C ATOM 474 O GLU A 31 6.588 8.815 -1.843 1.00 0.49 O ATOM 475 CB GLU A 31 5.090 11.537 -3.112 1.00 0.81 C ATOM 476 CG GLU A 31 4.355 11.309 -4.422 1.00 1.49 C ATOM 477 CD GLU A 31 4.713 12.351 -5.461 1.00 2.12 C ATOM 478 OE1 GLU A 31 4.299 13.518 -5.305 1.00 2.82 O ATOM 479 OE2 GLU A 31 5.388 12.003 -6.453 1.00 2.41 O ATOM 0 H GLU A 31 6.386 10.673 -0.633 1.00 0.55 H new ATOM 0 HA GLU A 31 3.795 10.273 -1.953 1.00 0.65 H new ATOM 0 HB2 GLU A 31 4.785 12.501 -2.705 1.00 0.81 H new ATOM 0 HB3 GLU A 31 6.158 11.602 -3.319 1.00 0.81 H new ATOM 0 HG2 GLU A 31 4.596 10.317 -4.805 1.00 1.49 H new ATOM 0 HG3 GLU A 31 3.280 11.330 -4.243 1.00 1.49 H new ATOM 486 N ASN A 32 5.000 8.439 -3.414 1.00 0.60 N ATOM 487 CA ASN A 32 5.564 7.166 -3.878 1.00 0.61 C ATOM 488 C ASN A 32 5.644 6.171 -2.730 1.00 0.50 C ATOM 489 O ASN A 32 6.694 5.585 -2.457 1.00 0.54 O ATOM 490 CB ASN A 32 6.953 7.375 -4.495 1.00 0.69 C ATOM 491 CG ASN A 32 6.903 8.183 -5.774 1.00 1.23 C ATOM 492 OD1 ASN A 32 5.928 8.127 -6.524 1.00 1.82 O ATOM 493 ND2 ASN A 32 7.958 8.940 -6.035 1.00 2.01 N ATOM 0 H ASN A 32 4.150 8.720 -3.904 1.00 0.60 H new ATOM 0 HA ASN A 32 4.904 6.764 -4.647 1.00 0.61 H new ATOM 0 HB2 ASN A 32 7.595 7.881 -3.774 1.00 0.69 H new ATOM 0 HB3 ASN A 32 7.406 6.405 -4.699 1.00 0.69 H new ATOM 0 HD21 ASN A 32 7.983 9.505 -6.884 1.00 2.01 H new ATOM 0 HD22 ASN A 32 8.746 8.958 -5.387 1.00 2.01 H new ATOM 500 N LEU A 33 4.515 5.982 -2.069 1.00 0.41 N ATOM 501 CA LEU A 33 4.458 5.169 -0.870 1.00 0.32 C ATOM 502 C LEU A 33 3.599 3.936 -1.094 1.00 0.30 C ATOM 503 O LEU A 33 2.806 3.890 -2.032 1.00 0.34 O ATOM 504 CB LEU A 33 3.880 5.990 0.279 1.00 0.31 C ATOM 505 CG LEU A 33 4.596 7.307 0.560 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.664 8.248 1.291 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.849 7.073 1.387 1.00 0.32 C ATOM 0 H LEU A 33 3.620 6.385 -2.346 1.00 0.41 H new ATOM 0 HA LEU A 33 5.470 4.848 -0.622 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.833 6.203 0.062 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.901 5.383 1.184 1.00 0.31 H new ATOM 0 HG LEU A 33 4.890 7.753 -0.390 1.00 0.34 H new ATOM 0 HD11 LEU A 33 4.179 9.188 1.490 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.784 8.439 0.676 1.00 0.39 H new ATOM 0 HD13 LEU A 33 3.356 7.796 2.234 1.00 0.39 H new ATOM 0 HD21 LEU A 33 6.344 8.026 1.575 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.577 6.611 2.336 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.526 6.414 0.843 1.00 0.32 H new ATOM 519 N TRP A 34 3.759 2.945 -0.229 1.00 0.28 N ATOM 520 CA TRP A 34 2.953 1.739 -0.292 1.00 0.28 C ATOM 521 C TRP A 34 2.116 1.601 0.968 1.00 0.27 C ATOM 522 O TRP A 34 2.654 1.475 2.064 1.00 0.31 O ATOM 523 CB TRP A 34 3.813 0.477 -0.430 1.00 0.32 C ATOM 524 CG TRP A 34 4.941 0.573 -1.409 1.00 0.57 C ATOM 525 CD1 TRP A 34 6.267 0.440 -1.129 1.00 1.79 C ATOM 526 CD2 TRP A 34 4.848 0.805 -2.817 1.00 0.53 C ATOM 527 NE1 TRP A 34 7.006 0.573 -2.275 1.00 1.85 N ATOM 528 CE2 TRP A 34 6.160 0.803 -3.326 1.00 0.73 C ATOM 529 CE3 TRP A 34 3.787 1.016 -3.698 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.437 1.003 -4.675 1.00 0.67 C ATOM 531 CZ3 TRP A 34 4.063 1.215 -5.036 1.00 2.25 C ATOM 532 CH2 TRP A 34 5.379 1.207 -5.513 1.00 1.47 C ATOM 0 H TRP A 34 4.443 2.955 0.527 1.00 0.28 H new ATOM 0 HA TRP A 34 2.318 1.833 -1.173 1.00 0.28 H new ATOM 0 HB2 TRP A 34 4.224 0.229 0.549 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.168 -0.351 -0.724 1.00 0.32 H new ATOM 0 HD1 TRP A 34 6.676 0.256 -0.147 1.00 1.79 H new ATOM 0 HE1 TRP A 34 8.022 0.511 -2.335 1.00 1.85 H new ATOM 0 HE3 TRP A 34 2.768 1.024 -3.340 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 7.452 0.997 -5.045 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 3.249 1.380 -5.727 1.00 2.25 H new ATOM 0 HH2 TRP A 34 5.561 1.365 -6.566 1.00 1.47 H new ATOM 543 N LEU A 35 0.809 1.630 0.808 1.00 0.25 N ATOM 544 CA LEU A 35 -0.104 1.378 1.910 1.00 0.26 C ATOM 545 C LEU A 35 -0.379 -0.120 1.968 1.00 0.27 C ATOM 546 O LEU A 35 -1.110 -0.653 1.136 1.00 0.29 O ATOM 547 CB LEU A 35 -1.403 2.166 1.693 1.00 0.28 C ATOM 548 CG LEU A 35 -2.272 2.440 2.932 1.00 0.32 C ATOM 549 CD1 LEU A 35 -3.563 3.116 2.503 1.00 0.36 C ATOM 550 CD2 LEU A 35 -2.577 1.173 3.720 1.00 0.32 C ATOM 0 H LEU A 35 0.350 1.827 -0.081 1.00 0.25 H new ATOM 0 HA LEU A 35 0.333 1.702 2.854 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -1.146 3.124 1.242 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -2.010 1.624 0.967 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.708 3.097 3.595 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -4.180 3.311 3.380 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -3.332 4.058 2.005 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -4.104 2.465 1.816 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -3.193 1.421 4.584 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -3.112 0.469 3.083 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.644 0.721 4.057 1.00 0.32 H new ATOM 562 N ASN A 36 0.226 -0.790 2.936 1.00 0.28 N ATOM 563 CA ASN A 36 0.124 -2.244 3.054 1.00 0.30 C ATOM 564 C ASN A 36 -1.326 -2.696 3.216 1.00 0.30 C ATOM 565 O ASN A 36 -2.118 -2.063 3.919 1.00 0.35 O ATOM 566 CB ASN A 36 0.965 -2.732 4.236 1.00 0.37 C ATOM 567 CG ASN A 36 1.162 -4.238 4.222 1.00 0.83 C ATOM 568 OD1 ASN A 36 0.399 -4.977 4.837 1.00 1.62 O ATOM 569 ND2 ASN A 36 2.178 -4.700 3.506 1.00 1.44 N ATOM 0 H ASN A 36 0.797 -0.351 3.658 1.00 0.28 H new ATOM 0 HA ASN A 36 0.506 -2.683 2.132 1.00 0.30 H new ATOM 0 HB2 ASN A 36 1.938 -2.241 4.214 1.00 0.37 H new ATOM 0 HB3 ASN A 36 0.481 -2.440 5.168 1.00 0.37 H new ATOM 0 HD21 ASN A 36 2.349 -5.704 3.452 1.00 1.44 H new ATOM 0 HD22 ASN A 36 2.789 -4.051 3.010 1.00 1.44 H new ATOM 576 N LEU A 37 -1.662 -3.797 2.553 1.00 0.28 N ATOM 577 CA LEU A 37 -3.029 -4.315 2.539 1.00 0.31 C ATOM 578 C LEU A 37 -3.331 -5.135 3.780 1.00 0.33 C ATOM 579 O LEU A 37 -4.486 -5.458 4.052 1.00 0.40 O ATOM 580 CB LEU A 37 -3.271 -5.174 1.289 1.00 0.33 C ATOM 581 CG LEU A 37 -3.714 -4.413 0.039 1.00 0.41 C ATOM 582 CD1 LEU A 37 -5.187 -4.064 0.140 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.888 -3.158 -0.141 1.00 0.54 C ATOM 0 H LEU A 37 -1.000 -4.354 2.012 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.697 -3.454 2.524 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.352 -5.713 1.058 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.029 -5.921 1.525 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.560 -5.052 -0.831 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.495 -3.522 -0.754 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.772 -4.979 0.229 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.354 -3.440 1.018 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -3.218 -2.630 -1.036 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -3.013 -2.512 0.728 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.837 -3.426 -0.245 1.00 0.54 H new ATOM 595 N THR A 38 -2.302 -5.448 4.539 1.00 0.32 N ATOM 596 CA THR A 38 -2.462 -6.302 5.696 1.00 0.37 C ATOM 597 C THR A 38 -2.356 -5.514 6.994 1.00 0.35 C ATOM 598 O THR A 38 -3.368 -5.248 7.641 1.00 0.40 O ATOM 599 CB THR A 38 -1.433 -7.445 5.683 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.652 -8.266 4.528 1.00 0.53 O ATOM 601 CG2 THR A 38 -1.530 -8.294 6.941 1.00 0.48 C ATOM 0 H THR A 38 -1.348 -5.125 4.376 1.00 0.32 H new ATOM 0 HA THR A 38 -3.462 -6.732 5.643 1.00 0.37 H new ATOM 0 HB THR A 38 -0.435 -7.008 5.649 1.00 0.43 H new ATOM 0 HG1 THR A 38 -2.566 -8.620 4.547 1.00 0.53 H new ATOM 0 HG21 THR A 38 -0.789 -9.092 6.899 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.343 -7.671 7.816 1.00 0.48 H new ATOM 0 HG23 THR A 38 -2.527 -8.728 7.011 1.00 0.48 H new ATOM 609 N ASP A 39 -1.144 -5.117 7.361 1.00 0.34 N ATOM 610 CA ASP A 39 -0.925 -4.486 8.654 1.00 0.36 C ATOM 611 C ASP A 39 -0.859 -2.969 8.516 1.00 0.32 C ATOM 612 O ASP A 39 -0.575 -2.256 9.476 1.00 0.48 O ATOM 613 CB ASP A 39 0.340 -5.044 9.316 1.00 0.45 C ATOM 614 CG ASP A 39 1.621 -4.482 8.734 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.931 -4.792 7.570 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.317 -3.713 9.431 1.00 1.32 O ATOM 0 H ASP A 39 -0.307 -5.220 6.788 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.772 -4.719 9.299 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.309 -4.827 10.384 1.00 0.45 H new ATOM 0 HB3 ASP A 39 0.347 -6.129 9.212 1.00 0.45 H new ATOM 621 N GLY A 40 -1.128 -2.487 7.305 1.00 0.28 N ATOM 622 CA GLY A 40 -1.270 -1.059 7.070 1.00 0.27 C ATOM 623 C GLY A 40 0.044 -0.307 7.027 1.00 0.29 C ATOM 624 O GLY A 40 0.048 0.919 6.944 1.00 0.39 O ATOM 0 H GLY A 40 -1.251 -3.066 6.475 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.795 -0.907 6.127 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.895 -0.633 7.855 1.00 0.27 H new ATOM 628 N SER A 41 1.158 -1.025 7.074 1.00 0.29 N ATOM 629 CA SER A 41 2.469 -0.387 7.037 1.00 0.38 C ATOM 630 C SER A 41 2.667 0.400 5.747 1.00 0.32 C ATOM 631 O SER A 41 2.628 -0.156 4.648 1.00 0.32 O ATOM 632 CB SER A 41 3.586 -1.416 7.198 1.00 0.51 C ATOM 633 OG SER A 41 3.720 -1.820 8.550 1.00 0.93 O ATOM 0 H SER A 41 1.182 -2.043 7.137 1.00 0.29 H new ATOM 0 HA SER A 41 2.513 0.309 7.875 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.376 -2.285 6.575 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.527 -0.993 6.847 1.00 0.51 H new ATOM 0 HG SER A 41 2.914 -2.303 8.828 1.00 0.93 H new ATOM 639 N VAL A 42 2.869 1.697 5.899 1.00 0.32 N ATOM 640 CA VAL A 42 3.121 2.576 4.772 1.00 0.28 C ATOM 641 C VAL A 42 4.614 2.624 4.495 1.00 0.29 C ATOM 642 O VAL A 42 5.416 2.959 5.366 1.00 0.35 O ATOM 643 CB VAL A 42 2.586 4.006 5.019 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.872 4.912 3.827 1.00 0.26 C ATOM 645 CG2 VAL A 42 1.095 3.973 5.322 1.00 0.31 C ATOM 0 H VAL A 42 2.863 2.169 6.803 1.00 0.32 H new ATOM 0 HA VAL A 42 2.591 2.175 3.909 1.00 0.28 H new ATOM 0 HB VAL A 42 3.106 4.416 5.885 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.485 5.911 4.028 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.948 4.966 3.661 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.388 4.508 2.938 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.736 4.988 5.493 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.562 3.537 4.477 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.918 3.371 6.213 1.00 0.31 H new ATOM 655 N LEU A 43 4.982 2.255 3.288 1.00 0.28 N ATOM 656 CA LEU A 43 6.376 2.176 2.896 1.00 0.33 C ATOM 657 C LEU A 43 6.597 3.055 1.673 1.00 0.30 C ATOM 658 O LEU A 43 5.729 3.843 1.349 1.00 0.29 O ATOM 659 CB LEU A 43 6.731 0.713 2.636 1.00 0.44 C ATOM 660 CG LEU A 43 6.381 -0.219 3.803 1.00 0.51 C ATOM 661 CD1 LEU A 43 6.687 -1.662 3.447 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.129 0.192 5.069 1.00 0.54 C ATOM 0 H LEU A 43 4.326 2.001 2.550 1.00 0.28 H new ATOM 0 HA LEU A 43 7.032 2.542 3.686 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.208 0.374 1.742 1.00 0.44 H new ATOM 0 HB3 LEU A 43 7.799 0.638 2.429 1.00 0.44 H new ATOM 0 HG LEU A 43 5.312 -0.133 3.996 1.00 0.51 H new ATOM 0 HD11 LEU A 43 6.432 -2.306 4.288 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.101 -1.954 2.575 1.00 0.63 H new ATOM 0 HD13 LEU A 43 7.748 -1.764 3.221 1.00 0.63 H new ATOM 0 HD21 LEU A 43 6.865 -0.483 5.883 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.203 0.142 4.890 1.00 0.54 H new ATOM 0 HD23 LEU A 43 6.854 1.211 5.339 1.00 0.54 H new ATOM 674 N CYS A 44 7.746 2.965 1.019 1.00 0.40 N ATOM 675 CA CYS A 44 8.002 3.810 -0.144 1.00 0.46 C ATOM 676 C CYS A 44 8.745 3.032 -1.220 1.00 0.61 C ATOM 677 O CYS A 44 9.241 1.931 -0.971 1.00 0.71 O ATOM 678 CB CYS A 44 8.800 5.057 0.246 1.00 0.52 C ATOM 679 SG CYS A 44 10.543 4.738 0.630 1.00 0.71 S ATOM 0 H CYS A 44 8.504 2.329 1.265 1.00 0.40 H new ATOM 0 HA CYS A 44 7.038 4.128 -0.541 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.746 5.778 -0.569 1.00 0.52 H new ATOM 0 HB3 CYS A 44 8.328 5.520 1.113 1.00 0.52 H new ATOM 684 N GLY A 45 8.832 3.618 -2.403 1.00 0.68 N ATOM 685 CA GLY A 45 9.425 2.932 -3.530 1.00 0.87 C ATOM 686 C GLY A 45 10.897 3.239 -3.697 1.00 1.23 C ATOM 687 O GLY A 45 11.497 3.919 -2.868 1.00 2.12 O ATOM 0 H GLY A 45 8.501 4.562 -2.603 1.00 0.68 H new ATOM 0 HA2 GLY A 45 9.295 1.857 -3.404 1.00 0.87 H new ATOM 0 HA3 GLY A 45 8.895 3.213 -4.440 1.00 0.87 H new ATOM 691 N LYS A 46 11.472 2.748 -4.788 1.00 1.63 N ATOM 692 CA LYS A 46 12.894 2.922 -5.060 1.00 2.41 C ATOM 693 C LYS A 46 13.135 4.185 -5.876 1.00 2.38 C ATOM 694 O LYS A 46 14.165 4.330 -6.531 1.00 2.93 O ATOM 695 CB LYS A 46 13.438 1.702 -5.809 1.00 3.41 C ATOM 696 CG LYS A 46 13.256 0.397 -5.054 1.00 4.32 C ATOM 697 CD LYS A 46 13.742 -0.793 -5.864 1.00 5.11 C ATOM 698 CE LYS A 46 13.510 -2.098 -5.122 1.00 5.83 C ATOM 699 NZ LYS A 46 13.949 -3.277 -5.912 1.00 6.44 N ATOM 0 H LYS A 46 10.971 2.222 -5.504 1.00 1.63 H new ATOM 0 HA LYS A 46 13.418 3.020 -4.109 1.00 2.41 H new ATOM 0 HB2 LYS A 46 12.939 1.626 -6.775 1.00 3.41 H new ATOM 0 HB3 LYS A 46 14.499 1.852 -6.009 1.00 3.41 H new ATOM 0 HG2 LYS A 46 13.801 0.443 -4.111 1.00 4.32 H new ATOM 0 HG3 LYS A 46 12.203 0.263 -4.807 1.00 4.32 H new ATOM 0 HD2 LYS A 46 13.223 -0.820 -6.822 1.00 5.11 H new ATOM 0 HD3 LYS A 46 14.804 -0.679 -6.080 1.00 5.11 H new ATOM 0 HE2 LYS A 46 14.049 -2.076 -4.175 1.00 5.83 H new ATOM 0 HE3 LYS A 46 12.451 -2.196 -4.884 1.00 5.83 H new ATOM 0 HZ1 LYS A 46 13.772 -4.145 -5.367 1.00 6.44 H new ATOM 0 HZ2 LYS A 46 13.417 -3.314 -6.805 1.00 6.44 H new ATOM 0 HZ3 LYS A 46 14.965 -3.198 -6.117 1.00 6.44 H new ATOM 713 N TRP A 47 12.167 5.090 -5.844 1.00 2.40 N ATOM 714 CA TRP A 47 12.287 6.363 -6.533 1.00 2.90 C ATOM 715 C TRP A 47 12.835 7.404 -5.570 1.00 3.16 C ATOM 716 O TRP A 47 12.099 7.986 -4.773 1.00 3.82 O ATOM 717 CB TRP A 47 10.935 6.798 -7.101 1.00 3.59 C ATOM 718 CG TRP A 47 10.343 5.777 -8.024 1.00 3.94 C ATOM 719 CD1 TRP A 47 10.805 5.430 -9.261 1.00 4.43 C ATOM 720 CD2 TRP A 47 9.187 4.966 -7.786 1.00 4.46 C ATOM 721 NE1 TRP A 47 10.012 4.447 -9.802 1.00 5.12 N ATOM 722 CE2 TRP A 47 9.011 4.148 -8.918 1.00 5.13 C ATOM 723 CE3 TRP A 47 8.286 4.849 -6.724 1.00 4.85 C ATOM 724 CZ2 TRP A 47 7.968 3.230 -9.020 1.00 6.00 C ATOM 725 CZ3 TRP A 47 7.252 3.939 -6.826 1.00 5.76 C ATOM 726 CH2 TRP A 47 7.102 3.138 -7.967 1.00 6.25 C ATOM 0 H TRP A 47 11.286 4.963 -5.345 1.00 2.40 H new ATOM 0 HA TRP A 47 12.976 6.258 -7.371 1.00 2.90 H new ATOM 0 HB2 TRP A 47 10.243 6.985 -6.280 1.00 3.59 H new ATOM 0 HB3 TRP A 47 11.056 7.740 -7.636 1.00 3.59 H new ATOM 0 HD1 TRP A 47 11.668 5.865 -9.744 1.00 4.43 H new ATOM 0 HE1 TRP A 47 10.147 4.011 -10.714 1.00 5.12 H new ATOM 0 HE3 TRP A 47 8.396 5.459 -5.840 1.00 4.85 H new ATOM 0 HZ2 TRP A 47 7.848 2.614 -9.899 1.00 6.00 H new ATOM 0 HZ3 TRP A 47 6.547 3.843 -6.013 1.00 5.76 H new ATOM 0 HH2 TRP A 47 6.285 2.433 -8.015 1.00 6.25 H new ATOM 737 N PHE A 48 14.138 7.613 -5.645 1.00 3.23 N ATOM 738 CA PHE A 48 14.842 8.433 -4.674 1.00 3.94 C ATOM 739 C PHE A 48 14.572 9.913 -4.871 1.00 3.98 C ATOM 740 O PHE A 48 15.005 10.518 -5.854 1.00 4.37 O ATOM 741 CB PHE A 48 16.347 8.169 -4.742 1.00 4.71 C ATOM 742 CG PHE A 48 16.737 6.795 -4.281 1.00 5.10 C ATOM 743 CD1 PHE A 48 16.920 6.524 -2.934 1.00 5.51 C ATOM 744 CD2 PHE A 48 16.929 5.776 -5.197 1.00 5.41 C ATOM 745 CE1 PHE A 48 17.284 5.260 -2.512 1.00 6.19 C ATOM 746 CE2 PHE A 48 17.293 4.512 -4.782 1.00 6.04 C ATOM 747 CZ PHE A 48 17.447 4.253 -3.418 1.00 6.43 C ATOM 0 H PHE A 48 14.734 7.223 -6.375 1.00 3.23 H new ATOM 0 HA PHE A 48 14.466 8.154 -3.689 1.00 3.94 H new ATOM 0 HB2 PHE A 48 16.686 8.309 -5.768 1.00 4.71 H new ATOM 0 HB3 PHE A 48 16.865 8.909 -4.132 1.00 4.71 H new ATOM 0 HD1 PHE A 48 16.776 7.309 -2.207 1.00 5.51 H new ATOM 0 HD2 PHE A 48 16.792 5.973 -6.250 1.00 5.41 H new ATOM 0 HE1 PHE A 48 17.440 5.068 -1.461 1.00 6.19 H new ATOM 0 HE2 PHE A 48 17.458 3.728 -5.506 1.00 6.04 H new ATOM 0 HZ PHE A 48 17.695 3.257 -3.081 1.00 6.43 H new ATOM 757 N PHE A 49 13.831 10.484 -3.935 1.00 4.01 N ATOM 758 CA PHE A 49 13.684 11.927 -3.850 1.00 4.29 C ATOM 759 C PHE A 49 14.999 12.517 -3.364 1.00 4.03 C ATOM 760 O PHE A 49 15.399 13.612 -3.757 1.00 4.43 O ATOM 761 CB PHE A 49 12.539 12.276 -2.892 1.00 5.23 C ATOM 762 CG PHE A 49 12.457 13.730 -2.510 1.00 5.92 C ATOM 763 CD1 PHE A 49 11.975 14.671 -3.411 1.00 6.52 C ATOM 764 CD2 PHE A 49 12.864 14.157 -1.256 1.00 6.27 C ATOM 765 CE1 PHE A 49 11.903 16.007 -3.067 1.00 7.39 C ATOM 766 CE2 PHE A 49 12.791 15.493 -0.909 1.00 7.24 C ATOM 767 CZ PHE A 49 12.299 16.413 -1.795 1.00 7.76 C ATOM 0 H PHE A 49 13.320 9.966 -3.220 1.00 4.01 H new ATOM 0 HA PHE A 49 13.442 12.344 -4.828 1.00 4.29 H new ATOM 0 HB2 PHE A 49 11.596 11.982 -3.353 1.00 5.23 H new ATOM 0 HB3 PHE A 49 12.649 11.682 -1.985 1.00 5.23 H new ATOM 0 HD1 PHE A 49 11.653 14.354 -4.392 1.00 6.52 H new ATOM 0 HD2 PHE A 49 13.242 13.439 -0.543 1.00 6.27 H new ATOM 0 HE1 PHE A 49 11.542 16.733 -3.781 1.00 7.39 H new ATOM 0 HE2 PHE A 49 13.124 15.813 0.067 1.00 7.24 H new ATOM 0 HZ PHE A 49 12.218 17.451 -1.508 1.00 7.76 H new ATOM 777 N ASP A 50 15.675 11.745 -2.528 1.00 3.84 N ATOM 778 CA ASP A 50 16.970 12.114 -1.984 1.00 4.03 C ATOM 779 C ASP A 50 17.720 10.838 -1.616 1.00 3.49 C ATOM 780 O ASP A 50 17.110 9.770 -1.583 1.00 3.96 O ATOM 781 CB ASP A 50 16.790 13.010 -0.749 1.00 4.77 C ATOM 782 CG ASP A 50 18.102 13.434 -0.121 1.00 5.24 C ATOM 783 OD1 ASP A 50 18.665 14.461 -0.548 1.00 5.52 O ATOM 784 OD2 ASP A 50 18.575 12.740 0.803 1.00 5.68 O ATOM 0 H ASP A 50 15.337 10.838 -2.206 1.00 3.84 H new ATOM 0 HA ASP A 50 17.541 12.674 -2.724 1.00 4.03 H new ATOM 0 HB2 ASP A 50 16.227 13.899 -1.032 1.00 4.77 H new ATOM 0 HB3 ASP A 50 16.195 12.479 -0.007 1.00 4.77 H new ATOM 789 N SER A 51 19.014 10.927 -1.350 1.00 2.95 N ATOM 790 CA SER A 51 19.781 9.762 -0.924 1.00 2.87 C ATOM 791 C SER A 51 19.188 9.181 0.361 1.00 2.57 C ATOM 792 O SER A 51 19.155 7.962 0.558 1.00 3.12 O ATOM 793 CB SER A 51 21.250 10.142 -0.712 1.00 3.44 C ATOM 794 OG SER A 51 22.050 9.007 -0.429 1.00 4.15 O ATOM 0 H SER A 51 19.555 11.789 -1.420 1.00 2.95 H new ATOM 0 HA SER A 51 19.729 9.003 -1.705 1.00 2.87 H new ATOM 0 HB2 SER A 51 21.629 10.641 -1.604 1.00 3.44 H new ATOM 0 HB3 SER A 51 21.327 10.855 0.109 1.00 3.44 H new ATOM 0 HG SER A 51 22.981 9.286 -0.301 1.00 4.15 H new ATOM 800 N SER A 52 18.694 10.059 1.224 1.00 2.29 N ATOM 801 CA SER A 52 18.074 9.642 2.470 1.00 2.37 C ATOM 802 C SER A 52 16.549 9.692 2.339 1.00 1.79 C ATOM 803 O SER A 52 15.819 9.566 3.326 1.00 2.13 O ATOM 804 CB SER A 52 18.550 10.547 3.613 1.00 3.06 C ATOM 805 OG SER A 52 18.122 10.067 4.878 1.00 3.81 O ATOM 0 H SER A 52 18.712 11.069 1.081 1.00 2.29 H new ATOM 0 HA SER A 52 18.366 8.616 2.693 1.00 2.37 H new ATOM 0 HB2 SER A 52 19.638 10.610 3.597 1.00 3.06 H new ATOM 0 HB3 SER A 52 18.170 11.557 3.460 1.00 3.06 H new ATOM 0 HG SER A 52 17.204 9.732 4.807 1.00 3.81 H new ATOM 811 N GLY A 53 16.077 9.860 1.111 1.00 1.40 N ATOM 812 CA GLY A 53 14.654 9.974 0.861 1.00 1.25 C ATOM 813 C GLY A 53 14.151 8.875 -0.051 1.00 1.07 C ATOM 814 O GLY A 53 13.880 9.113 -1.229 1.00 1.28 O ATOM 0 H GLY A 53 16.661 9.920 0.277 1.00 1.40 H new ATOM 0 HA2 GLY A 53 14.115 9.935 1.808 1.00 1.25 H new ATOM 0 HA3 GLY A 53 14.441 10.944 0.412 1.00 1.25 H new ATOM 818 N GLY A 54 14.039 7.674 0.497 1.00 0.86 N ATOM 819 CA GLY A 54 13.553 6.542 -0.268 1.00 0.86 C ATOM 820 C GLY A 54 14.328 5.280 0.052 1.00 0.91 C ATOM 821 O GLY A 54 15.542 5.325 0.244 1.00 1.55 O ATOM 0 H GLY A 54 14.278 7.461 1.466 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.496 6.385 -0.055 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.634 6.760 -1.333 1.00 0.86 H new ATOM 825 N ASN A 55 13.627 4.157 0.118 1.00 0.89 N ATOM 826 CA ASN A 55 14.235 2.890 0.507 1.00 0.87 C ATOM 827 C ASN A 55 13.227 1.762 0.326 1.00 1.01 C ATOM 828 O ASN A 55 12.069 1.897 0.730 1.00 1.21 O ATOM 829 CB ASN A 55 14.722 2.957 1.969 1.00 0.83 C ATOM 830 CG ASN A 55 15.393 1.672 2.435 1.00 1.45 C ATOM 831 OD1 ASN A 55 15.950 0.923 1.637 1.00 2.39 O ATOM 832 ND2 ASN A 55 15.372 1.426 3.738 1.00 1.63 N ATOM 0 H ASN A 55 12.631 4.097 -0.094 1.00 0.89 H new ATOM 0 HA ASN A 55 15.098 2.695 -0.129 1.00 0.87 H new ATOM 0 HB2 ASN A 55 15.423 3.785 2.074 1.00 0.83 H new ATOM 0 HB3 ASN A 55 13.874 3.173 2.619 1.00 0.83 H new ATOM 0 HD21 ASN A 55 15.829 0.592 4.107 1.00 1.63 H new ATOM 0 HD22 ASN A 55 14.899 2.071 4.371 1.00 1.63 H new ATOM 839 N GLY A 56 13.669 0.670 -0.293 1.00 1.23 N ATOM 840 CA GLY A 56 12.799 -0.465 -0.555 1.00 1.44 C ATOM 841 C GLY A 56 12.375 -1.183 0.710 1.00 1.14 C ATOM 842 O GLY A 56 12.979 -2.180 1.110 1.00 1.07 O ATOM 0 H GLY A 56 14.627 0.551 -0.622 1.00 1.23 H new ATOM 0 HA2 GLY A 56 11.912 -0.122 -1.087 1.00 1.44 H new ATOM 0 HA3 GLY A 56 13.313 -1.167 -1.211 1.00 1.44 H new ATOM 846 N HIS A 57 11.329 -0.671 1.341 1.00 1.06 N ATOM 847 CA HIS A 57 10.819 -1.243 2.575 1.00 0.77 C ATOM 848 C HIS A 57 10.022 -2.506 2.299 1.00 0.66 C ATOM 849 O HIS A 57 9.896 -3.358 3.171 1.00 0.55 O ATOM 850 CB HIS A 57 9.913 -0.251 3.300 1.00 0.68 C ATOM 851 CG HIS A 57 10.515 1.087 3.556 1.00 0.72 C ATOM 852 ND1 HIS A 57 11.815 1.295 3.964 1.00 1.73 N ATOM 853 CD2 HIS A 57 9.951 2.309 3.452 1.00 0.82 C ATOM 854 CE1 HIS A 57 11.991 2.616 4.088 1.00 1.92 C ATOM 855 NE2 HIS A 57 10.884 3.267 3.790 1.00 1.19 N ATOM 0 H HIS A 57 10.814 0.147 1.014 1.00 1.06 H new ATOM 0 HA HIS A 57 11.680 -1.481 3.199 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.005 -0.117 2.713 1.00 0.68 H new ATOM 0 HB3 HIS A 57 9.614 -0.686 4.254 1.00 0.68 H new ATOM 0 HD1 HIS A 57 12.515 0.574 4.139 1.00 1.73 H new ATOM 0 HD2 HIS A 57 8.932 2.505 3.152 1.00 0.82 H new ATOM 0 HE1 HIS A 57 12.915 3.085 4.391 1.00 1.92 H new ATOM 863 N ALA A 58 9.467 -2.610 1.096 1.00 0.78 N ATOM 864 CA ALA A 58 8.593 -3.726 0.754 1.00 0.75 C ATOM 865 C ALA A 58 9.313 -5.057 0.936 1.00 0.66 C ATOM 866 O ALA A 58 8.749 -6.007 1.483 1.00 0.54 O ATOM 867 CB ALA A 58 8.081 -3.584 -0.671 1.00 0.97 C ATOM 0 H ALA A 58 9.607 -1.936 0.343 1.00 0.78 H new ATOM 0 HA ALA A 58 7.739 -3.709 1.431 1.00 0.75 H new ATOM 0 HB1 ALA A 58 7.430 -4.425 -0.909 1.00 0.97 H new ATOM 0 HB2 ALA A 58 7.521 -2.654 -0.765 1.00 0.97 H new ATOM 0 HB3 ALA A 58 8.925 -3.571 -1.361 1.00 0.97 H new ATOM 873 N LEU A 59 10.562 -5.111 0.490 1.00 0.78 N ATOM 874 CA LEU A 59 11.395 -6.293 0.669 1.00 0.79 C ATOM 875 C LEU A 59 11.558 -6.606 2.151 1.00 0.66 C ATOM 876 O LEU A 59 11.297 -7.721 2.605 1.00 0.63 O ATOM 877 CB LEU A 59 12.770 -6.063 0.037 1.00 0.98 C ATOM 878 CG LEU A 59 13.749 -7.235 0.157 1.00 1.75 C ATOM 879 CD1 LEU A 59 13.226 -8.456 -0.583 1.00 2.28 C ATOM 880 CD2 LEU A 59 15.116 -6.839 -0.376 1.00 2.31 C ATOM 0 H LEU A 59 11.022 -4.345 -0.001 1.00 0.78 H new ATOM 0 HA LEU A 59 10.910 -7.138 0.180 1.00 0.79 H new ATOM 0 HB2 LEU A 59 12.632 -5.833 -1.019 1.00 0.98 H new ATOM 0 HB3 LEU A 59 13.222 -5.185 0.499 1.00 0.98 H new ATOM 0 HG LEU A 59 13.845 -7.492 1.212 1.00 1.75 H new ATOM 0 HD11 LEU A 59 13.939 -9.275 -0.483 1.00 2.28 H new ATOM 0 HD12 LEU A 59 12.267 -8.755 -0.159 1.00 2.28 H new ATOM 0 HD13 LEU A 59 13.097 -8.214 -1.638 1.00 2.28 H new ATOM 0 HD21 LEU A 59 15.801 -7.682 -0.284 1.00 2.31 H new ATOM 0 HD22 LEU A 59 15.029 -6.555 -1.425 1.00 2.31 H new ATOM 0 HD23 LEU A 59 15.500 -5.996 0.198 1.00 2.31 H new ATOM 892 N GLU A 60 11.973 -5.596 2.897 1.00 0.66 N ATOM 893 CA GLU A 60 12.207 -5.735 4.325 1.00 0.65 C ATOM 894 C GLU A 60 10.923 -6.113 5.059 1.00 0.51 C ATOM 895 O GLU A 60 10.947 -6.908 5.993 1.00 0.57 O ATOM 896 CB GLU A 60 12.781 -4.436 4.887 1.00 0.76 C ATOM 897 CG GLU A 60 14.047 -3.985 4.178 1.00 0.99 C ATOM 898 CD GLU A 60 15.207 -4.948 4.360 1.00 1.98 C ATOM 899 OE1 GLU A 60 15.224 -6.007 3.704 1.00 2.64 O ATOM 900 OE2 GLU A 60 16.118 -4.639 5.158 1.00 2.58 O ATOM 0 H GLU A 60 12.156 -4.661 2.533 1.00 0.66 H new ATOM 0 HA GLU A 60 12.927 -6.538 4.479 1.00 0.65 H new ATOM 0 HB2 GLU A 60 12.029 -3.651 4.809 1.00 0.76 H new ATOM 0 HB3 GLU A 60 12.994 -4.569 5.948 1.00 0.76 H new ATOM 0 HG2 GLU A 60 13.840 -3.872 3.114 1.00 0.99 H new ATOM 0 HG3 GLU A 60 14.336 -3.003 4.552 1.00 0.99 H new ATOM 907 N HIS A 61 9.796 -5.565 4.618 1.00 0.43 N ATOM 908 CA HIS A 61 8.520 -5.843 5.261 1.00 0.41 C ATOM 909 C HIS A 61 8.021 -7.231 4.877 1.00 0.38 C ATOM 910 O HIS A 61 7.218 -7.834 5.591 1.00 0.40 O ATOM 911 CB HIS A 61 7.476 -4.787 4.901 1.00 0.57 C ATOM 912 CG HIS A 61 6.367 -4.707 5.903 1.00 0.94 C ATOM 913 ND1 HIS A 61 6.534 -4.156 7.152 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.085 -5.138 5.852 1.00 1.45 C ATOM 915 CE1 HIS A 61 5.408 -4.256 7.829 1.00 1.72 C ATOM 916 NE2 HIS A 61 4.510 -4.845 7.064 1.00 1.60 N ATOM 0 H HIS A 61 9.741 -4.929 3.822 1.00 0.43 H new ATOM 0 HA HIS A 61 8.676 -5.810 6.339 1.00 0.41 H new ATOM 0 HB2 HIS A 61 7.961 -3.814 4.823 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.058 -5.014 3.920 1.00 0.57 H new ATOM 0 HD2 HIS A 61 4.604 -5.622 5.015 1.00 1.45 H new ATOM 0 HE1 HIS A 61 5.248 -3.913 8.840 1.00 1.72 H new ATOM 0 HE2 HIS A 61 3.546 -5.049 7.329 1.00 1.60 H new ATOM 925 N TYR A 62 8.497 -7.727 3.745 1.00 0.44 N ATOM 926 CA TYR A 62 8.242 -9.104 3.344 1.00 0.54 C ATOM 927 C TYR A 62 9.012 -10.031 4.276 1.00 0.59 C ATOM 928 O TYR A 62 8.626 -11.172 4.514 1.00 0.67 O ATOM 929 CB TYR A 62 8.670 -9.312 1.886 1.00 0.69 C ATOM 930 CG TYR A 62 8.323 -10.668 1.312 1.00 0.97 C ATOM 931 CD1 TYR A 62 7.087 -10.896 0.722 1.00 1.08 C ATOM 932 CD2 TYR A 62 9.237 -11.714 1.347 1.00 1.39 C ATOM 933 CE1 TYR A 62 6.770 -12.127 0.183 1.00 1.55 C ATOM 934 CE2 TYR A 62 8.926 -12.949 0.813 1.00 1.89 C ATOM 935 CZ TYR A 62 7.692 -13.149 0.230 1.00 1.97 C ATOM 936 OH TYR A 62 7.378 -14.378 -0.301 1.00 2.50 O ATOM 0 H TYR A 62 9.064 -7.195 3.085 1.00 0.44 H new ATOM 0 HA TYR A 62 7.177 -9.327 3.415 1.00 0.54 H new ATOM 0 HB2 TYR A 62 8.203 -8.542 1.271 1.00 0.69 H new ATOM 0 HB3 TYR A 62 9.748 -9.167 1.814 1.00 0.69 H new ATOM 0 HD1 TYR A 62 6.361 -10.097 0.684 1.00 1.08 H new ATOM 0 HD2 TYR A 62 10.206 -11.559 1.799 1.00 1.39 H new ATOM 0 HE1 TYR A 62 5.804 -12.288 -0.273 1.00 1.55 H new ATOM 0 HE2 TYR A 62 9.645 -13.754 0.852 1.00 1.89 H new ATOM 0 HH TYR A 62 8.137 -14.987 -0.188 1.00 2.50 H new ATOM 946 N ARG A 63 10.101 -9.509 4.813 1.00 0.60 N ATOM 947 CA ARG A 63 10.890 -10.222 5.804 1.00 0.73 C ATOM 948 C ARG A 63 10.206 -10.162 7.171 1.00 0.75 C ATOM 949 O ARG A 63 10.222 -11.134 7.925 1.00 0.87 O ATOM 950 CB ARG A 63 12.287 -9.623 5.873 1.00 0.80 C ATOM 951 CG ARG A 63 12.939 -9.563 4.513 1.00 1.19 C ATOM 952 CD ARG A 63 14.253 -8.806 4.545 1.00 1.33 C ATOM 953 NE ARG A 63 15.397 -9.678 4.776 1.00 1.71 N ATOM 954 CZ ARG A 63 16.628 -9.397 4.353 1.00 2.01 C ATOM 955 NH1 ARG A 63 16.877 -8.231 3.764 1.00 1.88 N ATOM 956 NH2 ARG A 63 17.612 -10.270 4.533 1.00 2.76 N ATOM 0 H ARG A 63 10.462 -8.585 4.577 1.00 0.60 H new ATOM 0 HA ARG A 63 10.971 -11.269 5.512 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.232 -8.619 6.294 1.00 0.80 H new ATOM 0 HB3 ARG A 63 12.905 -10.218 6.546 1.00 0.80 H new ATOM 0 HG2 ARG A 63 13.113 -10.576 4.150 1.00 1.19 H new ATOM 0 HG3 ARG A 63 12.261 -9.083 3.807 1.00 1.19 H new ATOM 0 HD2 ARG A 63 14.387 -8.279 3.600 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.213 -8.050 5.329 1.00 1.33 H new ATOM 0 HE ARG A 63 15.247 -10.548 5.288 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.126 -7.553 3.637 1.00 1.88 H new ATOM 0 HH12 ARG A 63 17.819 -8.015 3.440 1.00 1.88 H new ATOM 0 HH21 ARG A 63 17.426 -11.159 4.997 1.00 2.76 H new ATOM 0 HH22 ARG A 63 18.554 -10.051 4.208 1.00 2.76 H new ATOM 970 N ASP A 64 9.589 -9.016 7.472 1.00 0.68 N ATOM 971 CA ASP A 64 8.883 -8.823 8.744 1.00 0.75 C ATOM 972 C ASP A 64 7.593 -9.631 8.788 1.00 0.75 C ATOM 973 O ASP A 64 7.397 -10.477 9.659 1.00 0.89 O ATOM 974 CB ASP A 64 8.508 -7.353 8.959 1.00 0.75 C ATOM 975 CG ASP A 64 9.691 -6.413 9.011 1.00 1.18 C ATOM 976 OD1 ASP A 64 10.538 -6.580 9.907 1.00 1.43 O ATOM 977 OD2 ASP A 64 9.798 -5.525 8.144 1.00 1.85 O ATOM 0 H ASP A 64 9.564 -8.206 6.852 1.00 0.68 H new ATOM 0 HA ASP A 64 9.567 -9.156 9.525 1.00 0.75 H new ATOM 0 HB2 ASP A 64 7.843 -7.038 8.155 1.00 0.75 H new ATOM 0 HB3 ASP A 64 7.947 -7.265 9.889 1.00 0.75 H new ATOM 982 N MET A 65 6.711 -9.358 7.835 1.00 0.63 N ATOM 983 CA MET A 65 5.376 -9.938 7.840 1.00 0.67 C ATOM 984 C MET A 65 5.211 -10.959 6.723 1.00 0.65 C ATOM 985 O MET A 65 4.636 -12.026 6.924 1.00 0.80 O ATOM 986 CB MET A 65 4.322 -8.837 7.695 1.00 0.68 C ATOM 987 CG MET A 65 4.241 -7.905 8.891 1.00 0.75 C ATOM 988 SD MET A 65 3.611 -8.724 10.367 1.00 1.35 S ATOM 989 CE MET A 65 3.663 -7.379 11.550 1.00 1.84 C ATOM 0 H MET A 65 6.898 -8.737 7.048 1.00 0.63 H new ATOM 0 HA MET A 65 5.238 -10.450 8.793 1.00 0.67 H new ATOM 0 HB2 MET A 65 4.543 -8.250 6.803 1.00 0.68 H new ATOM 0 HB3 MET A 65 3.347 -9.299 7.539 1.00 0.68 H new ATOM 0 HG2 MET A 65 5.232 -7.501 9.099 1.00 0.75 H new ATOM 0 HG3 MET A 65 3.597 -7.061 8.646 1.00 0.75 H new ATOM 0 HE1 MET A 65 3.302 -7.730 12.517 1.00 1.84 H new ATOM 0 HE2 MET A 65 4.689 -7.024 11.653 1.00 1.84 H new ATOM 0 HE3 MET A 65 3.030 -6.563 11.201 1.00 1.84 H new ATOM 999 N GLY A 66 5.720 -10.623 5.545 1.00 0.56 N ATOM 1000 CA GLY A 66 5.642 -11.535 4.418 1.00 0.64 C ATOM 1001 C GLY A 66 4.452 -11.262 3.523 1.00 0.70 C ATOM 1002 O GLY A 66 4.264 -11.940 2.516 1.00 1.36 O ATOM 0 H GLY A 66 6.185 -9.737 5.349 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.557 -11.459 3.831 1.00 0.64 H new ATOM 0 HA3 GLY A 66 5.585 -12.559 4.788 1.00 0.64 H new ATOM 1006 N TYR A 67 3.652 -10.269 3.887 1.00 0.55 N ATOM 1007 CA TYR A 67 2.455 -9.932 3.123 1.00 0.49 C ATOM 1008 C TYR A 67 2.802 -9.012 1.953 1.00 0.53 C ATOM 1009 O TYR A 67 3.119 -7.835 2.135 1.00 0.82 O ATOM 1010 CB TYR A 67 1.412 -9.293 4.039 1.00 0.64 C ATOM 1011 CG TYR A 67 0.976 -10.205 5.169 1.00 1.61 C ATOM 1012 CD1 TYR A 67 0.022 -11.196 4.964 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.521 -10.075 6.441 1.00 2.04 C ATOM 1014 CE1 TYR A 67 -0.372 -12.029 5.995 1.00 3.28 C ATOM 1015 CE2 TYR A 67 1.132 -10.905 7.474 1.00 2.98 C ATOM 1016 CZ TYR A 67 0.187 -11.878 7.247 1.00 3.57 C ATOM 1017 OH TYR A 67 -0.200 -12.705 8.276 1.00 4.55 O ATOM 0 H TYR A 67 3.809 -9.682 4.706 1.00 0.55 H new ATOM 0 HA TYR A 67 2.032 -10.847 2.709 1.00 0.49 H new ATOM 0 HB2 TYR A 67 1.820 -8.374 4.459 1.00 0.64 H new ATOM 0 HB3 TYR A 67 0.540 -9.014 3.448 1.00 0.64 H new ATOM 0 HD1 TYR A 67 -0.418 -11.317 3.985 1.00 2.31 H new ATOM 0 HD2 TYR A 67 2.262 -9.311 6.625 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -1.114 -12.794 5.821 1.00 3.28 H new ATOM 0 HE2 TYR A 67 1.568 -10.790 8.455 1.00 2.98 H new ATOM 0 HH TYR A 67 0.291 -12.466 9.090 1.00 4.55 H new ATOM 1027 N PRO A 68 2.730 -9.558 0.732 1.00 0.46 N ATOM 1028 CA PRO A 68 3.227 -8.925 -0.488 1.00 0.59 C ATOM 1029 C PRO A 68 2.200 -8.058 -1.214 1.00 0.49 C ATOM 1030 O PRO A 68 2.073 -8.151 -2.439 1.00 0.64 O ATOM 1031 CB PRO A 68 3.569 -10.133 -1.376 1.00 0.80 C ATOM 1032 CG PRO A 68 3.110 -11.354 -0.635 1.00 0.88 C ATOM 1033 CD PRO A 68 2.174 -10.871 0.431 1.00 0.59 C ATOM 0 HA PRO A 68 4.050 -8.247 -0.261 1.00 0.59 H new ATOM 0 HB2 PRO A 68 3.071 -10.057 -2.343 1.00 0.80 H new ATOM 0 HB3 PRO A 68 4.640 -10.179 -1.572 1.00 0.80 H new ATOM 0 HG2 PRO A 68 2.608 -12.051 -1.306 1.00 0.88 H new ATOM 0 HG3 PRO A 68 3.956 -11.885 -0.198 1.00 0.88 H new ATOM 0 HD2 PRO A 68 1.145 -10.809 0.076 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.172 -11.525 1.303 1.00 0.59 H new ATOM 1041 N LEU A 69 1.483 -7.215 -0.489 1.00 0.34 N ATOM 1042 CA LEU A 69 0.431 -6.406 -1.100 1.00 0.28 C ATOM 1043 C LEU A 69 0.428 -4.989 -0.535 1.00 0.24 C ATOM 1044 O LEU A 69 0.354 -4.797 0.683 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.923 -7.075 -0.874 1.00 0.34 C ATOM 1046 CG LEU A 69 -1.092 -8.427 -1.566 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -1.983 -9.334 -0.741 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.660 -8.240 -2.965 1.00 0.43 C ATOM 0 H LEU A 69 1.605 -7.071 0.513 1.00 0.34 H new ATOM 0 HA LEU A 69 0.624 -6.334 -2.170 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -1.072 -7.210 0.197 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.707 -6.403 -1.223 1.00 0.34 H new ATOM 0 HG LEU A 69 -0.113 -8.898 -1.655 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -2.094 -10.293 -1.247 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -1.534 -9.491 0.240 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -2.963 -8.871 -0.622 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.774 -9.212 -3.444 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.632 -7.751 -2.901 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.981 -7.623 -3.554 1.00 0.43 H new ATOM 1060 N ALA A 70 0.506 -3.998 -1.417 1.00 0.22 N ATOM 1061 CA ALA A 70 0.557 -2.608 -0.986 1.00 0.24 C ATOM 1062 C ALA A 70 -0.024 -1.668 -2.044 1.00 0.27 C ATOM 1063 O ALA A 70 0.097 -1.914 -3.244 1.00 0.32 O ATOM 1064 CB ALA A 70 1.993 -2.228 -0.660 1.00 0.27 C ATOM 0 H ALA A 70 0.535 -4.131 -2.428 1.00 0.22 H new ATOM 0 HA ALA A 70 -0.056 -2.504 -0.091 1.00 0.24 H new ATOM 0 HB1 ALA A 70 2.030 -1.187 -0.338 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.367 -2.869 0.139 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.613 -2.355 -1.547 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.664 -0.596 -1.582 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.261 0.408 -2.463 1.00 0.29 C ATOM 1072 C VAL A 71 -0.289 1.557 -2.709 1.00 0.30 C ATOM 1073 O VAL A 71 0.202 2.160 -1.761 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.556 0.996 -1.848 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.166 2.043 -2.769 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.562 -0.103 -1.553 1.00 0.32 C ATOM 0 H VAL A 71 -0.784 -0.398 -0.589 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.496 -0.093 -3.402 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.291 1.479 -0.908 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -4.074 2.441 -2.316 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.452 2.852 -2.923 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.409 1.586 -3.728 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.463 0.334 -1.122 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.817 -0.621 -2.478 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.130 -0.812 -0.847 1.00 0.32 H new ATOM 1086 N LYS A 72 -0.018 1.872 -3.970 1.00 0.33 N ATOM 1087 CA LYS A 72 0.822 3.018 -4.285 1.00 0.36 C ATOM 1088 C LYS A 72 0.069 4.305 -3.988 1.00 0.37 C ATOM 1089 O LYS A 72 -0.824 4.709 -4.732 1.00 0.42 O ATOM 1090 CB LYS A 72 1.279 3.013 -5.744 1.00 0.43 C ATOM 1091 CG LYS A 72 2.282 4.116 -6.045 1.00 0.50 C ATOM 1092 CD LYS A 72 2.636 4.184 -7.520 1.00 0.89 C ATOM 1093 CE LYS A 72 3.659 5.276 -7.785 1.00 0.91 C ATOM 1094 NZ LYS A 72 4.025 5.361 -9.222 1.00 1.54 N ATOM 0 H LYS A 72 -0.363 1.357 -4.780 1.00 0.33 H new ATOM 0 HA LYS A 72 1.713 2.954 -3.660 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.726 2.047 -5.978 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.411 3.129 -6.393 1.00 0.43 H new ATOM 0 HG2 LYS A 72 1.871 5.074 -5.727 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.188 3.949 -5.463 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.032 3.223 -7.847 1.00 0.89 H new ATOM 0 HD3 LYS A 72 1.736 4.374 -8.105 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.259 6.235 -7.456 1.00 0.91 H new ATOM 0 HE3 LYS A 72 4.555 5.085 -7.194 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 4.725 6.118 -9.358 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 4.431 4.455 -9.531 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 3.176 5.569 -9.785 1.00 1.54 H new ATOM 1108 N LEU A 73 0.432 4.935 -2.893 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.225 6.145 -2.453 1.00 0.33 C ATOM 1110 C LEU A 73 0.102 7.302 -3.376 1.00 0.35 C ATOM 1111 O LEU A 73 1.149 7.324 -4.024 1.00 0.38 O ATOM 1112 CB LEU A 73 0.186 6.456 -1.023 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.106 5.327 -0.042 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.600 5.555 1.272 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.604 5.201 0.182 1.00 0.35 C ATOM 0 H LEU A 73 1.189 4.624 -2.284 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.304 5.995 -2.484 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.253 6.677 -1.001 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.333 7.356 -0.693 1.00 0.32 H new ATOM 0 HG LEU A 73 0.268 4.398 -0.472 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.374 4.735 1.953 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.676 5.601 1.104 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.260 6.494 1.709 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.800 4.391 0.885 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -1.991 6.135 0.588 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.097 4.986 -0.766 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.803 8.258 -3.420 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.687 9.351 -4.363 1.00 0.41 C ATOM 1129 C GLY A 74 -1.513 9.125 -5.619 1.00 0.43 C ATOM 1130 O GLY A 74 -1.887 10.077 -6.301 1.00 0.49 O ATOM 0 H GLY A 74 -1.624 8.301 -2.816 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -1.006 10.276 -3.883 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.360 9.480 -4.638 1.00 0.41 H new ATOM 1134 N THR A 75 -1.831 7.865 -5.906 1.00 0.43 N ATOM 1135 CA THR A 75 -2.553 7.519 -7.130 1.00 0.47 C ATOM 1136 C THR A 75 -4.003 7.179 -6.815 1.00 0.43 C ATOM 1137 O THR A 75 -4.784 6.823 -7.699 1.00 0.43 O ATOM 1138 CB THR A 75 -1.910 6.321 -7.859 1.00 0.50 C ATOM 1139 OG1 THR A 75 -1.991 5.136 -7.047 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.457 6.613 -8.199 1.00 0.62 C ATOM 0 H THR A 75 -1.602 7.069 -5.311 1.00 0.43 H new ATOM 0 HA THR A 75 -2.505 8.391 -7.782 1.00 0.47 H new ATOM 0 HB THR A 75 -2.460 6.156 -8.786 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.281 5.153 -6.371 1.00 0.44 H new ATOM 0 HG21 THR A 75 -0.024 5.755 -8.712 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.404 7.488 -8.847 1.00 0.62 H new ATOM 0 HG23 THR A 75 0.100 6.806 -7.282 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.345 7.298 -5.542 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.665 6.937 -5.053 1.00 0.43 C ATOM 1150 C ILE A 76 -6.741 7.814 -5.680 1.00 0.46 C ATOM 1151 O ILE A 76 -6.838 9.008 -5.396 1.00 0.53 O ATOM 1152 CB ILE A 76 -5.721 7.048 -3.520 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -4.661 6.144 -2.894 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.105 6.669 -3.018 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.068 6.717 -1.635 1.00 0.47 C ATOM 0 H ILE A 76 -3.715 7.647 -4.819 1.00 0.44 H new ATOM 0 HA ILE A 76 -5.856 5.903 -5.340 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.518 8.079 -3.230 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.105 5.174 -2.671 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -3.865 5.972 -3.618 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.133 6.751 -1.931 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.846 7.340 -3.452 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.330 5.643 -3.310 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.322 6.029 -1.238 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.597 7.674 -1.858 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -4.856 6.864 -0.896 1.00 0.47 H new ATOM 1167 N THR A 77 -7.532 7.202 -6.540 1.00 0.45 N ATOM 1168 CA THR A 77 -8.623 7.874 -7.208 1.00 0.50 C ATOM 1169 C THR A 77 -9.908 7.069 -6.983 1.00 0.56 C ATOM 1170 O THR A 77 -9.828 5.913 -6.568 1.00 0.62 O ATOM 1171 CB THR A 77 -8.292 8.055 -8.720 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.397 9.433 -9.090 1.00 1.48 O ATOM 1173 CG2 THR A 77 -9.190 7.221 -9.621 1.00 1.27 C ATOM 0 H THR A 77 -7.433 6.219 -6.794 1.00 0.45 H new ATOM 0 HA THR A 77 -8.770 8.872 -6.796 1.00 0.50 H new ATOM 0 HB THR A 77 -7.269 7.706 -8.859 1.00 0.51 H new ATOM 0 HG1 THR A 77 -8.185 9.533 -10.042 1.00 1.48 H new ATOM 0 HG21 THR A 77 -8.915 7.386 -10.663 1.00 1.27 H new ATOM 0 HG22 THR A 77 -9.070 6.165 -9.377 1.00 1.27 H new ATOM 0 HG23 THR A 77 -10.229 7.513 -9.470 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.097 7.658 -7.210 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.380 7.002 -6.915 1.00 0.73 C ATOM 1183 C PRO A 78 -12.482 5.588 -7.494 1.00 0.75 C ATOM 1184 O PRO A 78 -13.015 4.682 -6.849 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.412 7.927 -7.560 1.00 0.88 C ATOM 1186 CG PRO A 78 -12.751 9.262 -7.621 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.279 9.004 -7.774 1.00 0.74 C ATOM 0 HA PRO A 78 -12.520 6.865 -5.843 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -13.688 7.578 -8.555 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -14.328 7.967 -6.971 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -13.132 9.845 -8.460 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -12.952 9.836 -6.716 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -10.973 9.044 -8.819 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -10.685 9.745 -7.239 1.00 0.74 H new ATOM 1195 N ASP A 79 -11.963 5.405 -8.705 1.00 0.72 N ATOM 1196 CA ASP A 79 -11.953 4.091 -9.348 1.00 0.80 C ATOM 1197 C ASP A 79 -11.071 3.118 -8.574 1.00 0.73 C ATOM 1198 O ASP A 79 -11.497 2.019 -8.213 1.00 0.85 O ATOM 1199 CB ASP A 79 -11.448 4.206 -10.789 1.00 0.90 C ATOM 1200 CG ASP A 79 -11.320 2.858 -11.474 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -12.321 2.372 -12.033 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -10.213 2.282 -11.467 1.00 1.64 O ATOM 0 H ASP A 79 -11.543 6.149 -9.262 1.00 0.72 H new ATOM 0 HA ASP A 79 -12.975 3.711 -9.355 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -12.131 4.836 -11.360 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -10.478 4.704 -10.791 1.00 0.90 H new ATOM 1207 N GLY A 80 -9.846 3.536 -8.317 1.00 0.60 N ATOM 1208 CA GLY A 80 -8.900 2.709 -7.610 1.00 0.62 C ATOM 1209 C GLY A 80 -7.527 3.340 -7.596 1.00 0.52 C ATOM 1210 O GLY A 80 -7.383 4.517 -7.934 1.00 0.65 O ATOM 0 H GLY A 80 -9.486 4.450 -8.591 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.242 2.553 -6.587 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -8.847 1.728 -8.081 1.00 0.62 H new ATOM 1214 N ALA A 81 -6.522 2.571 -7.209 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.153 3.061 -7.184 1.00 0.38 C ATOM 1216 C ALA A 81 -4.207 2.000 -7.712 1.00 0.34 C ATOM 1217 O ALA A 81 -4.620 0.868 -7.977 1.00 0.35 O ATOM 1218 CB ALA A 81 -4.757 3.462 -5.772 1.00 0.50 C ATOM 0 H ALA A 81 -6.629 1.603 -6.907 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.088 3.940 -7.825 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -3.730 3.826 -5.772 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -5.421 4.250 -5.418 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -4.836 2.598 -5.113 1.00 0.50 H new ATOM 1224 N ASP A 82 -2.942 2.365 -7.863 1.00 0.34 N ATOM 1225 CA ASP A 82 -1.933 1.431 -8.343 1.00 0.34 C ATOM 1226 C ASP A 82 -1.573 0.441 -7.251 1.00 0.33 C ATOM 1227 O ASP A 82 -0.814 0.757 -6.339 1.00 0.53 O ATOM 1228 CB ASP A 82 -0.674 2.169 -8.811 1.00 0.45 C ATOM 1229 CG ASP A 82 -0.863 2.862 -10.143 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -1.351 4.009 -10.158 1.00 1.77 O ATOM 1231 OD2 ASP A 82 -0.516 2.267 -11.184 1.00 1.25 O ATOM 0 H ASP A 82 -2.590 3.301 -7.660 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.351 0.893 -9.194 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -0.390 2.906 -8.060 1.00 0.45 H new ATOM 0 HB3 ASP A 82 0.150 1.460 -8.889 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.133 -0.749 -7.335 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.836 -1.792 -6.373 1.00 0.41 C ATOM 1238 C VAL A 83 -0.592 -2.544 -6.808 1.00 0.40 C ATOM 1239 O VAL A 83 -0.497 -2.989 -7.949 1.00 0.43 O ATOM 1240 CB VAL A 83 -3.001 -2.790 -6.228 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.786 -3.702 -5.030 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -4.326 -2.058 -6.119 1.00 0.70 C ATOM 0 H VAL A 83 -2.797 -1.018 -8.061 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.677 -1.314 -5.407 1.00 0.41 H new ATOM 0 HB VAL A 83 -3.030 -3.411 -7.124 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -3.621 -4.398 -4.948 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.859 -4.261 -5.160 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -2.723 -3.102 -4.122 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -5.134 -2.782 -6.017 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -4.311 -1.406 -5.245 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.486 -1.459 -7.016 1.00 0.70 H new ATOM 1252 N TYR A 84 0.367 -2.674 -5.917 1.00 0.41 N ATOM 1253 CA TYR A 84 1.590 -3.374 -6.247 1.00 0.42 C ATOM 1254 C TYR A 84 1.676 -4.696 -5.510 1.00 0.42 C ATOM 1255 O TYR A 84 1.508 -4.762 -4.289 1.00 0.44 O ATOM 1256 CB TYR A 84 2.810 -2.503 -5.943 1.00 0.48 C ATOM 1257 CG TYR A 84 3.138 -1.526 -7.051 1.00 0.82 C ATOM 1258 CD1 TYR A 84 2.274 -0.487 -7.372 1.00 1.74 C ATOM 1259 CD2 TYR A 84 4.311 -1.653 -7.783 1.00 1.24 C ATOM 1260 CE1 TYR A 84 2.570 0.400 -8.390 1.00 2.45 C ATOM 1261 CE2 TYR A 84 4.615 -0.770 -8.802 1.00 1.81 C ATOM 1262 CZ TYR A 84 3.741 0.253 -9.100 1.00 2.31 C ATOM 1263 OH TYR A 84 4.043 1.133 -10.115 1.00 3.09 O ATOM 0 H TYR A 84 0.325 -2.308 -4.966 1.00 0.41 H new ATOM 0 HA TYR A 84 1.579 -3.586 -7.316 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.632 -1.950 -5.021 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.672 -3.146 -5.768 1.00 0.48 H new ATOM 0 HD1 TYR A 84 1.355 -0.370 -6.817 1.00 1.74 H new ATOM 0 HD2 TYR A 84 4.997 -2.455 -7.552 1.00 1.24 H new ATOM 0 HE1 TYR A 84 1.888 1.203 -8.627 1.00 2.45 H new ATOM 0 HE2 TYR A 84 5.532 -0.881 -9.361 1.00 1.81 H new ATOM 0 HH TYR A 84 4.905 0.890 -10.513 1.00 3.09 H new ATOM 1273 N SER A 85 1.921 -5.745 -6.271 1.00 0.43 N ATOM 1274 CA SER A 85 2.114 -7.063 -5.717 1.00 0.45 C ATOM 1275 C SER A 85 3.615 -7.312 -5.610 1.00 0.47 C ATOM 1276 O SER A 85 4.351 -7.100 -6.571 1.00 0.59 O ATOM 1277 CB SER A 85 1.431 -8.099 -6.620 1.00 0.51 C ATOM 1278 OG SER A 85 2.111 -8.238 -7.853 1.00 1.41 O ATOM 0 H SER A 85 1.991 -5.704 -7.288 1.00 0.43 H new ATOM 0 HA SER A 85 1.669 -7.146 -4.726 1.00 0.45 H new ATOM 0 HB2 SER A 85 1.398 -9.062 -6.111 1.00 0.51 H new ATOM 0 HB3 SER A 85 0.399 -7.800 -6.804 1.00 0.51 H new ATOM 0 HG SER A 85 1.832 -7.524 -8.463 1.00 1.41 H new ATOM 1284 N PHE A 86 4.082 -7.708 -4.441 1.00 0.47 N ATOM 1285 CA PHE A 86 5.511 -7.874 -4.235 1.00 0.54 C ATOM 1286 C PHE A 86 5.958 -9.282 -4.603 1.00 0.57 C ATOM 1287 O PHE A 86 7.013 -9.468 -5.205 1.00 0.70 O ATOM 1288 CB PHE A 86 5.879 -7.560 -2.787 1.00 0.60 C ATOM 1289 CG PHE A 86 7.348 -7.683 -2.515 1.00 1.16 C ATOM 1290 CD1 PHE A 86 8.211 -6.647 -2.825 1.00 1.30 C ATOM 1291 CD2 PHE A 86 7.865 -8.841 -1.964 1.00 2.19 C ATOM 1292 CE1 PHE A 86 9.565 -6.764 -2.587 1.00 2.20 C ATOM 1293 CE2 PHE A 86 9.221 -8.966 -1.727 1.00 3.16 C ATOM 1294 CZ PHE A 86 10.071 -7.925 -2.038 1.00 3.10 C ATOM 0 H PHE A 86 3.503 -7.919 -3.628 1.00 0.47 H new ATOM 0 HA PHE A 86 6.030 -7.174 -4.889 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.554 -6.547 -2.547 1.00 0.60 H new ATOM 0 HB3 PHE A 86 5.335 -8.234 -2.125 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.821 -5.738 -3.258 1.00 1.30 H new ATOM 0 HD2 PHE A 86 7.202 -9.657 -1.716 1.00 2.19 H new ATOM 0 HE1 PHE A 86 10.229 -5.947 -2.830 1.00 2.20 H new ATOM 0 HE2 PHE A 86 9.614 -9.876 -1.299 1.00 3.16 H new ATOM 0 HZ PHE A 86 11.131 -8.018 -1.852 1.00 3.10 H new ATOM 1304 N GLN A 87 5.142 -10.265 -4.252 1.00 0.56 N ATOM 1305 CA GLN A 87 5.480 -11.659 -4.504 1.00 0.67 C ATOM 1306 C GLN A 87 5.379 -11.971 -5.993 1.00 0.72 C ATOM 1307 O GLN A 87 6.150 -12.765 -6.530 1.00 0.84 O ATOM 1308 CB GLN A 87 4.559 -12.581 -3.705 1.00 0.75 C ATOM 1309 CG GLN A 87 4.969 -14.043 -3.759 1.00 0.93 C ATOM 1310 CD GLN A 87 4.028 -14.944 -2.985 1.00 1.56 C ATOM 1311 OE1 GLN A 87 3.426 -14.534 -1.994 1.00 2.36 O ATOM 1312 NE2 GLN A 87 3.900 -16.180 -3.432 1.00 2.08 N ATOM 0 H GLN A 87 4.242 -10.124 -3.793 1.00 0.56 H new ATOM 0 HA GLN A 87 6.508 -11.829 -4.184 1.00 0.67 H new ATOM 0 HB2 GLN A 87 4.544 -12.254 -2.665 1.00 0.75 H new ATOM 0 HB3 GLN A 87 3.542 -12.483 -4.084 1.00 0.75 H new ATOM 0 HG2 GLN A 87 5.003 -14.368 -4.799 1.00 0.93 H new ATOM 0 HG3 GLN A 87 5.977 -14.148 -3.359 1.00 0.93 H new ATOM 0 HE21 GLN A 87 4.418 -16.480 -4.258 1.00 2.08 H new ATOM 0 HE22 GLN A 87 3.283 -16.835 -2.951 1.00 2.08 H new ATOM 1321 N GLU A 88 4.426 -11.334 -6.655 1.00 0.68 N ATOM 1322 CA GLU A 88 4.251 -11.509 -8.089 1.00 0.75 C ATOM 1323 C GLU A 88 5.026 -10.432 -8.846 1.00 0.70 C ATOM 1324 O GLU A 88 5.283 -10.547 -10.044 1.00 0.78 O ATOM 1325 CB GLU A 88 2.763 -11.468 -8.444 1.00 0.80 C ATOM 1326 CG GLU A 88 1.932 -12.448 -7.627 1.00 1.08 C ATOM 1327 CD GLU A 88 0.468 -12.462 -8.015 1.00 1.56 C ATOM 1328 OE1 GLU A 88 -0.304 -11.631 -7.495 1.00 2.25 O ATOM 1329 OE2 GLU A 88 0.076 -13.326 -8.829 1.00 2.02 O ATOM 0 H GLU A 88 3.762 -10.691 -6.223 1.00 0.68 H new ATOM 0 HA GLU A 88 4.645 -12.482 -8.383 1.00 0.75 H new ATOM 0 HB2 GLU A 88 2.384 -10.458 -8.286 1.00 0.80 H new ATOM 0 HB3 GLU A 88 2.641 -11.691 -9.504 1.00 0.80 H new ATOM 0 HG2 GLU A 88 2.342 -13.451 -7.748 1.00 1.08 H new ATOM 0 HG3 GLU A 88 2.018 -12.194 -6.571 1.00 1.08 H new ATOM 1336 N GLU A 89 5.401 -9.396 -8.093 1.00 0.62 N ATOM 1337 CA GLU A 89 6.222 -8.281 -8.571 1.00 0.65 C ATOM 1338 C GLU A 89 5.627 -7.619 -9.812 1.00 0.62 C ATOM 1339 O GLU A 89 6.345 -7.240 -10.738 1.00 0.78 O ATOM 1340 CB GLU A 89 7.660 -8.734 -8.837 1.00 0.80 C ATOM 1341 CG GLU A 89 8.660 -7.585 -8.826 1.00 1.48 C ATOM 1342 CD GLU A 89 10.080 -8.036 -9.080 1.00 1.67 C ATOM 1343 OE1 GLU A 89 10.658 -8.707 -8.202 1.00 2.29 O ATOM 1344 OE2 GLU A 89 10.632 -7.700 -10.147 1.00 1.55 O ATOM 0 H GLU A 89 5.137 -9.307 -7.112 1.00 0.62 H new ATOM 0 HA GLU A 89 6.235 -7.532 -7.779 1.00 0.65 H new ATOM 0 HB2 GLU A 89 7.949 -9.467 -8.083 1.00 0.80 H new ATOM 0 HB3 GLU A 89 7.703 -9.236 -9.803 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.375 -6.855 -9.584 1.00 1.48 H new ATOM 0 HG3 GLU A 89 8.612 -7.078 -7.862 1.00 1.48 H new ATOM 1351 N GLU A 90 4.318 -7.466 -9.815 1.00 0.49 N ATOM 1352 CA GLU A 90 3.632 -6.826 -10.922 1.00 0.53 C ATOM 1353 C GLU A 90 2.554 -5.890 -10.392 1.00 0.45 C ATOM 1354 O GLU A 90 2.067 -6.065 -9.275 1.00 0.44 O ATOM 1355 CB GLU A 90 3.004 -7.875 -11.849 1.00 0.67 C ATOM 1356 CG GLU A 90 1.964 -8.760 -11.174 1.00 1.26 C ATOM 1357 CD GLU A 90 1.254 -9.669 -12.156 1.00 1.72 C ATOM 1358 OE1 GLU A 90 1.874 -10.648 -12.627 1.00 2.10 O ATOM 1359 OE2 GLU A 90 0.064 -9.420 -12.445 1.00 2.05 O ATOM 0 H GLU A 90 3.705 -7.777 -9.061 1.00 0.49 H new ATOM 0 HA GLU A 90 4.359 -6.250 -11.494 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.539 -7.366 -12.693 1.00 0.67 H new ATOM 0 HB3 GLU A 90 3.795 -8.506 -12.254 1.00 0.67 H new ATOM 0 HG2 GLU A 90 2.448 -9.365 -10.408 1.00 1.26 H new ATOM 0 HG3 GLU A 90 1.230 -8.133 -10.668 1.00 1.26 H new ATOM 1366 N PRO A 91 2.187 -4.864 -11.165 1.00 0.47 N ATOM 1367 CA PRO A 91 1.047 -4.019 -10.837 1.00 0.45 C ATOM 1368 C PRO A 91 -0.243 -4.820 -10.916 1.00 0.44 C ATOM 1369 O PRO A 91 -0.598 -5.345 -11.973 1.00 0.51 O ATOM 1370 CB PRO A 91 1.074 -2.917 -11.907 1.00 0.54 C ATOM 1371 CG PRO A 91 2.430 -3.000 -12.523 1.00 0.64 C ATOM 1372 CD PRO A 91 2.850 -4.436 -12.404 1.00 0.60 C ATOM 0 HA PRO A 91 1.097 -3.614 -9.826 1.00 0.45 H new ATOM 0 HB2 PRO A 91 0.293 -3.073 -12.652 1.00 0.54 H new ATOM 0 HB3 PRO A 91 0.902 -1.935 -11.465 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.405 -2.686 -13.566 1.00 0.64 H new ATOM 0 HG3 PRO A 91 3.133 -2.344 -12.010 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.525 -5.025 -13.262 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.933 -4.537 -12.339 1.00 0.60 H new ATOM 1380 N VAL A 92 -0.933 -4.925 -9.798 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.135 -5.729 -9.723 1.00 0.44 C ATOM 1382 C VAL A 92 -3.329 -4.859 -9.369 1.00 0.46 C ATOM 1383 O VAL A 92 -3.226 -3.634 -9.299 1.00 0.58 O ATOM 1384 CB VAL A 92 -2.019 -6.871 -8.685 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -1.034 -7.930 -9.153 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.598 -6.336 -7.325 1.00 0.46 C ATOM 0 H VAL A 92 -0.680 -4.461 -8.926 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.272 -6.179 -10.706 1.00 0.44 H new ATOM 0 HB VAL A 92 -3.004 -7.327 -8.587 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -0.970 -8.722 -8.407 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.374 -8.350 -10.100 1.00 0.50 H new ATOM 0 HG13 VAL A 92 -0.051 -7.478 -9.288 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.525 -7.161 -6.616 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -0.629 -5.845 -7.411 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.338 -5.618 -6.971 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.461 -5.498 -9.165 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.678 -4.798 -8.812 1.00 0.59 C ATOM 1398 C LEU A 93 -6.378 -5.526 -7.681 1.00 0.56 C ATOM 1399 O LEU A 93 -6.692 -6.712 -7.803 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.604 -4.696 -10.027 1.00 0.67 C ATOM 1401 CG LEU A 93 -7.971 -4.069 -9.751 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -7.824 -2.627 -9.287 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -8.849 -4.151 -10.986 1.00 1.49 C ATOM 0 H LEU A 93 -4.564 -6.510 -9.238 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.424 -3.790 -8.484 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.103 -4.111 -10.798 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -6.756 -5.696 -10.433 1.00 0.67 H new ATOM 0 HG LEU A 93 -8.450 -4.631 -8.949 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -8.810 -2.203 -9.097 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -7.234 -2.598 -8.371 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -7.322 -2.045 -10.060 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -9.819 -3.701 -10.774 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -8.372 -3.616 -11.807 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -8.987 -5.195 -11.265 1.00 1.49 H new ATOM 1415 N ASP A 94 -6.593 -4.829 -6.577 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.337 -5.396 -5.464 1.00 0.54 C ATOM 1417 C ASP A 94 -8.807 -5.045 -5.594 1.00 0.53 C ATOM 1418 O ASP A 94 -9.179 -3.873 -5.590 1.00 0.54 O ATOM 1419 CB ASP A 94 -6.813 -4.893 -4.116 1.00 0.56 C ATOM 1420 CG ASP A 94 -7.624 -5.435 -2.948 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -8.158 -6.566 -3.050 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -7.767 -4.714 -1.943 1.00 0.85 O ATOM 0 H ASP A 94 -6.265 -3.875 -6.428 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.206 -6.478 -5.497 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -5.770 -5.188 -4.000 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -6.840 -3.803 -4.101 1.00 0.56 H new ATOM 1427 N PRO A 95 -9.664 -6.057 -5.725 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.114 -5.869 -5.761 1.00 0.66 C ATOM 1429 C PRO A 95 -11.668 -5.384 -4.419 1.00 0.64 C ATOM 1430 O PRO A 95 -12.874 -5.229 -4.256 1.00 0.74 O ATOM 1431 CB PRO A 95 -11.654 -7.269 -6.082 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.480 -8.032 -6.598 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.288 -7.467 -5.889 1.00 0.66 C ATOM 0 HA PRO A 95 -11.405 -5.110 -6.487 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.072 -7.743 -5.194 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -12.451 -7.223 -6.824 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.586 -9.098 -6.397 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.383 -7.919 -7.678 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.115 -7.956 -4.931 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.375 -7.580 -6.474 1.00 0.66 H new ATOM 1441 N HIS A 96 -10.782 -5.157 -3.453 1.00 0.58 N ATOM 1442 CA HIS A 96 -11.199 -4.754 -2.113 1.00 0.64 C ATOM 1443 C HIS A 96 -10.512 -3.463 -1.686 1.00 0.57 C ATOM 1444 O HIS A 96 -10.350 -3.213 -0.491 1.00 0.58 O ATOM 1445 CB HIS A 96 -10.880 -5.858 -1.096 1.00 0.80 C ATOM 1446 CG HIS A 96 -11.255 -7.229 -1.557 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -10.401 -8.019 -2.287 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -12.397 -7.943 -1.411 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -10.998 -9.158 -2.576 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -12.210 -9.142 -2.055 1.00 1.31 N ATOM 0 H HIS A 96 -9.773 -5.245 -3.573 1.00 0.58 H new ATOM 0 HA HIS A 96 -12.275 -4.585 -2.142 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -9.813 -5.838 -0.875 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -11.402 -5.643 -0.164 1.00 0.80 H new ATOM 0 HD1 HIS A 96 -9.453 -7.764 -2.563 1.00 1.93 H new ATOM 0 HD2 HIS A 96 -13.287 -7.629 -0.887 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -10.567 -9.969 -3.144 1.00 1.93 H new ATOM 1459 N LEU A 97 -10.119 -2.641 -2.653 1.00 0.56 N ATOM 1460 CA LEU A 97 -9.512 -1.348 -2.351 1.00 0.54 C ATOM 1461 C LEU A 97 -10.431 -0.525 -1.463 1.00 0.54 C ATOM 1462 O LEU A 97 -10.003 0.035 -0.455 1.00 0.55 O ATOM 1463 CB LEU A 97 -9.227 -0.577 -3.637 1.00 0.59 C ATOM 1464 CG LEU A 97 -8.232 -1.229 -4.587 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -8.146 -0.426 -5.865 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -6.865 -1.352 -3.933 1.00 0.63 C ATOM 0 H LEU A 97 -10.209 -2.845 -3.648 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.573 -1.529 -1.827 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -10.168 -0.431 -4.168 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -8.854 0.412 -3.372 1.00 0.59 H new ATOM 0 HG LEU A 97 -8.578 -2.235 -4.826 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -7.433 -0.896 -6.543 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -9.127 -0.390 -6.339 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -7.816 0.587 -5.636 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.169 -1.821 -4.629 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -6.499 -0.361 -3.666 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -6.945 -1.963 -3.034 1.00 0.63 H new ATOM 1478 N ALA A 98 -11.707 -0.488 -1.828 1.00 0.58 N ATOM 1479 CA ALA A 98 -12.696 0.264 -1.069 1.00 0.63 C ATOM 1480 C ALA A 98 -12.903 -0.373 0.296 1.00 0.61 C ATOM 1481 O ALA A 98 -13.176 0.308 1.277 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.010 0.334 -1.829 1.00 0.74 C ATOM 0 H ALA A 98 -12.080 -0.971 -2.645 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.329 1.280 -0.928 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -14.737 0.900 -1.247 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -13.850 0.827 -2.788 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -14.386 -0.675 -1.998 1.00 0.74 H new ATOM 1488 N LYS A 99 -12.738 -1.686 0.341 1.00 0.60 N ATOM 1489 CA LYS A 99 -12.890 -2.453 1.568 1.00 0.64 C ATOM 1490 C LYS A 99 -11.741 -2.158 2.524 1.00 0.58 C ATOM 1491 O LYS A 99 -11.947 -1.974 3.726 1.00 0.61 O ATOM 1492 CB LYS A 99 -12.929 -3.941 1.228 1.00 0.73 C ATOM 1493 CG LYS A 99 -13.167 -4.858 2.416 1.00 0.89 C ATOM 1494 CD LYS A 99 -13.464 -6.272 1.948 1.00 1.73 C ATOM 1495 CE LYS A 99 -13.695 -7.219 3.112 1.00 2.30 C ATOM 1496 NZ LYS A 99 -12.422 -7.662 3.739 1.00 2.81 N ATOM 0 H LYS A 99 -12.495 -2.251 -0.473 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.821 -2.169 2.058 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -13.715 -4.111 0.492 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -11.986 -4.217 0.757 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -12.289 -4.860 3.063 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -14.000 -4.483 3.011 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -14.345 -6.264 1.307 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -12.633 -6.636 1.344 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -14.314 -6.726 3.861 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -14.249 -8.091 2.764 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -12.630 -8.307 4.528 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -11.840 -8.156 3.032 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -11.904 -6.834 4.096 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.530 -2.107 1.980 1.00 0.55 N ATOM 1511 CA HIS A 100 -9.346 -1.816 2.781 1.00 0.59 C ATOM 1512 C HIS A 100 -9.447 -0.416 3.375 1.00 0.57 C ATOM 1513 O HIS A 100 -9.028 -0.181 4.508 1.00 0.62 O ATOM 1514 CB HIS A 100 -8.064 -1.945 1.939 1.00 0.69 C ATOM 1515 CG HIS A 100 -6.805 -1.846 2.745 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -6.463 -2.759 3.719 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -5.807 -0.932 2.724 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -5.317 -2.410 4.264 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -4.892 -1.306 3.679 1.00 3.34 N ATOM 0 H HIS A 100 -10.342 -2.263 0.990 1.00 0.55 H new ATOM 0 HA HIS A 100 -9.294 -2.544 3.591 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -8.077 -2.902 1.417 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -8.060 -1.166 1.177 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -7.013 -3.578 3.977 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -5.742 -0.069 2.077 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -4.809 -2.939 5.057 1.00 3.49 H new ATOM 1528 N LEU A 101 -10.020 0.502 2.607 1.00 0.58 N ATOM 1529 CA LEU A 101 -10.198 1.874 3.053 1.00 0.66 C ATOM 1530 C LEU A 101 -11.396 1.992 3.976 1.00 0.68 C ATOM 1531 O LEU A 101 -11.414 2.822 4.880 1.00 0.76 O ATOM 1532 CB LEU A 101 -10.387 2.798 1.855 1.00 0.70 C ATOM 1533 CG LEU A 101 -9.309 2.692 0.787 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -9.540 3.719 -0.307 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.928 2.859 1.398 1.00 0.79 C ATOM 0 H LEU A 101 -10.371 0.317 1.667 1.00 0.58 H new ATOM 0 HA LEU A 101 -9.303 2.168 3.601 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -11.353 2.583 1.398 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -10.425 3.827 2.211 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.365 1.699 0.342 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.759 3.628 -1.062 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -10.513 3.547 -0.768 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -9.514 4.720 0.123 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -7.172 2.780 0.616 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -7.857 3.837 1.874 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.763 2.080 2.143 1.00 0.79 H new ATOM 1547 N ALA A 102 -12.397 1.158 3.740 1.00 0.68 N ATOM 1548 CA ALA A 102 -13.602 1.148 4.565 1.00 0.78 C ATOM 1549 C ALA A 102 -13.273 0.819 6.013 1.00 0.76 C ATOM 1550 O ALA A 102 -13.843 1.402 6.935 1.00 0.85 O ATOM 1551 CB ALA A 102 -14.621 0.160 4.024 1.00 0.88 C ATOM 0 H ALA A 102 -12.401 0.476 2.982 1.00 0.68 H new ATOM 0 HA ALA A 102 -14.033 2.148 4.529 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -15.509 0.171 4.656 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.895 0.440 3.007 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -14.191 -0.841 4.021 1.00 0.88 H new ATOM 1557 N HIS A 103 -12.340 -0.104 6.211 1.00 0.72 N ATOM 1558 CA HIS A 103 -11.883 -0.446 7.556 1.00 0.79 C ATOM 1559 C HIS A 103 -11.159 0.751 8.175 1.00 0.88 C ATOM 1560 O HIS A 103 -10.962 0.820 9.386 1.00 1.02 O ATOM 1561 CB HIS A 103 -10.955 -1.665 7.513 1.00 0.86 C ATOM 1562 CG HIS A 103 -10.704 -2.296 8.853 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -11.329 -3.449 9.265 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -9.885 -1.934 9.870 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -10.910 -3.769 10.476 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -10.032 -2.865 10.867 1.00 1.52 N ATOM 0 H HIS A 103 -11.886 -0.628 5.463 1.00 0.72 H new ATOM 0 HA HIS A 103 -12.748 -0.696 8.170 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -11.386 -2.412 6.847 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -10.000 -1.366 7.080 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -9.236 -1.071 9.892 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -11.232 -4.626 11.049 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -9.543 -2.859 11.762 1.00 1.52 H new ATOM 1575 N PHE A 104 -10.788 1.700 7.327 1.00 0.86 N ATOM 1576 CA PHE A 104 -10.054 2.880 7.758 1.00 1.03 C ATOM 1577 C PHE A 104 -10.988 4.077 7.891 1.00 1.11 C ATOM 1578 O PHE A 104 -10.623 5.107 8.458 1.00 1.29 O ATOM 1579 CB PHE A 104 -8.944 3.199 6.749 1.00 1.06 C ATOM 1580 CG PHE A 104 -7.811 2.213 6.767 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -7.543 1.468 7.903 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -7.010 2.036 5.649 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -6.496 0.567 7.924 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -5.962 1.138 5.665 1.00 1.35 C ATOM 1585 CZ PHE A 104 -5.724 0.380 6.793 1.00 1.30 C ATOM 0 H PHE A 104 -10.986 1.674 6.327 1.00 0.86 H new ATOM 0 HA PHE A 104 -9.611 2.675 8.733 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -9.373 3.228 5.747 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -8.551 4.194 6.957 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -8.159 1.593 8.782 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -7.209 2.608 4.755 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -6.281 0.009 8.823 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -5.330 1.029 4.796 1.00 1.35 H new ATOM 0 HZ PHE A 104 -4.936 -0.358 6.792 1.00 1.30 H new ATOM 1595 N GLY A 105 -12.204 3.927 7.377 1.00 1.03 N ATOM 1596 CA GLY A 105 -13.139 5.033 7.353 1.00 1.17 C ATOM 1597 C GLY A 105 -12.853 5.971 6.197 1.00 1.18 C ATOM 1598 O GLY A 105 -13.380 7.082 6.138 1.00 1.35 O ATOM 0 H GLY A 105 -12.558 3.058 6.977 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -14.156 4.650 7.270 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -13.080 5.582 8.293 1.00 1.17 H new ATOM 1602 N ILE A 106 -12.007 5.524 5.282 1.00 1.03 N ATOM 1603 CA ILE A 106 -11.647 6.309 4.121 1.00 1.04 C ATOM 1604 C ILE A 106 -12.603 6.042 2.964 1.00 0.98 C ATOM 1605 O ILE A 106 -12.728 4.913 2.496 1.00 0.96 O ATOM 1606 CB ILE A 106 -10.208 6.006 3.675 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -9.238 6.341 4.805 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -9.874 6.791 2.413 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -7.804 5.978 4.500 1.00 1.22 C ATOM 0 H ILE A 106 -11.555 4.611 5.326 1.00 1.03 H new ATOM 0 HA ILE A 106 -11.716 7.359 4.404 1.00 1.04 H new ATOM 0 HB ILE A 106 -10.115 4.945 3.445 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -9.296 7.408 5.018 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -9.552 5.818 5.709 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -8.852 6.569 2.106 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -10.562 6.509 1.616 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -9.969 7.858 2.613 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -7.173 6.245 5.348 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -7.731 4.906 4.317 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -7.472 6.521 3.615 1.00 1.22 H new ATOM 1621 N ASP A 107 -13.278 7.088 2.519 1.00 1.09 N ATOM 1622 CA ASP A 107 -14.183 6.991 1.385 1.00 1.17 C ATOM 1623 C ASP A 107 -13.543 7.582 0.143 1.00 1.10 C ATOM 1624 O ASP A 107 -13.119 8.737 0.149 1.00 1.21 O ATOM 1625 CB ASP A 107 -15.475 7.764 1.634 1.00 1.52 C ATOM 1626 CG ASP A 107 -16.389 7.158 2.669 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -17.005 6.113 2.372 1.00 2.14 O ATOM 1628 OD2 ASP A 107 -16.450 7.687 3.795 1.00 2.60 O ATOM 0 H ASP A 107 -13.216 8.020 2.928 1.00 1.09 H new ATOM 0 HA ASP A 107 -14.400 5.932 1.248 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -15.221 8.778 1.944 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -16.019 7.846 0.693 1.00 1.52 H new ATOM 1633 N MET A 108 -13.482 6.802 -0.926 1.00 0.98 N ATOM 1634 CA MET A 108 -13.097 7.343 -2.218 1.00 0.94 C ATOM 1635 C MET A 108 -14.228 8.211 -2.755 1.00 1.07 C ATOM 1636 O MET A 108 -14.029 9.348 -3.176 1.00 1.20 O ATOM 1637 CB MET A 108 -12.807 6.232 -3.227 1.00 0.87 C ATOM 1638 CG MET A 108 -11.484 5.524 -3.002 1.00 0.96 C ATOM 1639 SD MET A 108 -11.304 4.059 -4.040 1.00 1.72 S ATOM 1640 CE MET A 108 -9.578 3.665 -3.782 1.00 2.07 C ATOM 0 H MET A 108 -13.692 5.804 -0.924 1.00 0.98 H new ATOM 0 HA MET A 108 -12.189 7.931 -2.081 1.00 0.94 H new ATOM 0 HB2 MET A 108 -13.612 5.498 -3.185 1.00 0.87 H new ATOM 0 HB3 MET A 108 -12.814 6.656 -4.231 1.00 0.87 H new ATOM 0 HG2 MET A 108 -10.666 6.214 -3.207 1.00 0.96 H new ATOM 0 HG3 MET A 108 -11.403 5.236 -1.954 1.00 0.96 H new ATOM 0 HE1 MET A 108 -9.044 3.733 -4.730 1.00 2.07 H new ATOM 0 HE2 MET A 108 -9.146 4.369 -3.071 1.00 2.07 H new ATOM 0 HE3 MET A 108 -9.491 2.652 -3.388 1.00 2.07 H new ATOM 1650 N LEU A 109 -15.433 7.658 -2.704 1.00 1.17 N ATOM 1651 CA LEU A 109 -16.601 8.276 -3.308 1.00 1.40 C ATOM 1652 C LEU A 109 -17.321 9.215 -2.336 1.00 1.71 C ATOM 1653 O LEU A 109 -18.506 9.485 -2.502 1.00 2.17 O ATOM 1654 CB LEU A 109 -17.568 7.195 -3.786 1.00 1.57 C ATOM 1655 CG LEU A 109 -16.937 6.041 -4.576 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -18.020 5.131 -5.119 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.056 6.554 -5.706 1.00 1.30 C ATOM 0 H LEU A 109 -15.626 6.769 -2.243 1.00 1.17 H new ATOM 0 HA LEU A 109 -16.258 8.872 -4.153 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -18.079 6.780 -2.917 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -18.329 7.664 -4.409 1.00 1.57 H new ATOM 0 HG LEU A 109 -16.302 5.474 -3.896 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -17.563 4.315 -5.678 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -18.601 4.723 -4.292 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -18.676 5.699 -5.778 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -15.626 5.709 -6.244 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -16.655 7.153 -6.391 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -15.255 7.167 -5.293 1.00 1.30 H new ATOM 1669 N HIS A 110 -16.616 9.706 -1.322 1.00 1.70 N ATOM 1670 CA HIS A 110 -17.237 10.594 -0.337 1.00 2.08 C ATOM 1671 C HIS A 110 -17.507 11.962 -0.960 1.00 2.42 C ATOM 1672 O HIS A 110 -18.647 12.294 -1.276 1.00 2.88 O ATOM 1673 CB HIS A 110 -16.351 10.742 0.906 1.00 2.46 C ATOM 1674 CG HIS A 110 -17.089 11.192 2.136 1.00 2.88 C ATOM 1675 ND1 HIS A 110 -17.323 10.369 3.222 1.00 3.40 N ATOM 1676 CD2 HIS A 110 -17.633 12.391 2.458 1.00 3.25 C ATOM 1677 CE1 HIS A 110 -17.977 11.043 4.149 1.00 3.81 C ATOM 1678 NE2 HIS A 110 -18.175 12.270 3.711 1.00 3.69 N ATOM 0 H HIS A 110 -15.628 9.510 -1.159 1.00 1.70 H new ATOM 0 HA HIS A 110 -18.184 10.151 -0.027 1.00 2.08 H new ATOM 0 HB2 HIS A 110 -15.871 9.785 1.113 1.00 2.46 H new ATOM 0 HB3 HIS A 110 -15.557 11.457 0.690 1.00 2.46 H new ATOM 0 HD1 HIS A 110 -17.035 9.393 3.295 1.00 3.40 H new ATOM 0 HD2 HIS A 110 -17.638 13.278 1.841 1.00 3.25 H new ATOM 0 HE1 HIS A 110 -18.296 10.655 5.105 1.00 3.81 H new ATOM 1687 N MET A 111 -16.459 12.760 -1.122 1.00 2.65 N ATOM 1688 CA MET A 111 -16.574 14.034 -1.819 1.00 3.48 C ATOM 1689 C MET A 111 -15.465 14.169 -2.856 1.00 3.63 C ATOM 1690 O MET A 111 -15.064 15.271 -3.225 1.00 4.24 O ATOM 1691 CB MET A 111 -16.547 15.206 -0.833 1.00 4.22 C ATOM 1692 CG MET A 111 -17.795 15.295 0.033 1.00 4.76 C ATOM 1693 SD MET A 111 -17.744 16.666 1.203 1.00 5.56 S ATOM 1694 CE MET A 111 -19.351 16.498 1.980 1.00 6.12 C ATOM 0 H MET A 111 -15.522 12.548 -0.781 1.00 2.65 H new ATOM 0 HA MET A 111 -17.534 14.058 -2.334 1.00 3.48 H new ATOM 0 HB2 MET A 111 -15.673 15.110 -0.189 1.00 4.22 H new ATOM 0 HB3 MET A 111 -16.432 16.137 -1.389 1.00 4.22 H new ATOM 0 HG2 MET A 111 -18.669 15.405 -0.609 1.00 4.76 H new ATOM 0 HG3 MET A 111 -17.918 14.361 0.581 1.00 4.76 H new ATOM 0 HE1 MET A 111 -19.475 17.277 2.732 1.00 6.12 H new ATOM 0 HE2 MET A 111 -20.132 16.595 1.226 1.00 6.12 H new ATOM 0 HE3 MET A 111 -19.425 15.520 2.455 1.00 6.12 H new ATOM 1704 N HIS A 112 -14.970 13.026 -3.310 1.00 3.37 N ATOM 1705 CA HIS A 112 -13.992 12.984 -4.392 1.00 3.76 C ATOM 1706 C HIS A 112 -14.570 12.215 -5.573 1.00 3.53 C ATOM 1707 O HIS A 112 -14.434 12.623 -6.723 1.00 4.16 O ATOM 1708 CB HIS A 112 -12.681 12.337 -3.935 1.00 4.50 C ATOM 1709 CG HIS A 112 -11.882 13.178 -2.986 1.00 5.27 C ATOM 1710 ND1 HIS A 112 -10.961 14.115 -3.404 1.00 5.75 N ATOM 1711 CD2 HIS A 112 -11.864 13.215 -1.633 1.00 6.01 C ATOM 1712 CE1 HIS A 112 -10.411 14.687 -2.351 1.00 6.61 C ATOM 1713 NE2 HIS A 112 -10.941 14.161 -1.264 1.00 6.78 N ATOM 0 H HIS A 112 -15.230 12.110 -2.945 1.00 3.37 H new ATOM 0 HA HIS A 112 -13.771 14.008 -4.694 1.00 3.76 H new ATOM 0 HB2 HIS A 112 -12.906 11.383 -3.457 1.00 4.50 H new ATOM 0 HB3 HIS A 112 -12.071 12.118 -4.812 1.00 4.50 H new ATOM 0 HD2 HIS A 112 -12.464 12.612 -0.968 1.00 6.01 H new ATOM 0 HE1 HIS A 112 -9.654 15.457 -2.375 1.00 6.61 H new ATOM 0 HE2 HIS A 112 -10.704 14.416 -0.305 1.00 6.78 H new ATOM 1722 N GLY A 113 -15.225 11.102 -5.273 1.00 2.99 N ATOM 1723 CA GLY A 113 -15.896 10.332 -6.301 1.00 3.33 C ATOM 1724 C GLY A 113 -17.386 10.605 -6.336 1.00 3.80 C ATOM 1725 O GLY A 113 -18.194 9.682 -6.419 1.00 4.08 O ATOM 0 H GLY A 113 -15.304 10.717 -4.332 1.00 2.99 H new ATOM 0 HA2 GLY A 113 -15.462 10.569 -7.272 1.00 3.33 H new ATOM 0 HA3 GLY A 113 -15.726 9.270 -6.126 1.00 3.33 H new ATOM 1729 N THR A 114 -17.744 11.877 -6.262 1.00 4.30 N ATOM 1730 CA THR A 114 -19.132 12.292 -6.296 1.00 5.21 C ATOM 1731 C THR A 114 -19.684 12.255 -7.720 1.00 5.66 C ATOM 1732 O THR A 114 -19.217 13.052 -8.565 1.00 6.13 O ATOM 1733 CB THR A 114 -19.281 13.704 -5.700 1.00 5.98 C ATOM 1734 OG1 THR A 114 -18.203 14.536 -6.152 1.00 6.34 O ATOM 1735 CG2 THR A 114 -19.278 13.651 -4.185 1.00 6.29 C ATOM 1736 OXT THR A 114 -20.570 11.422 -7.994 1.00 5.90 O ATOM 0 H THR A 114 -17.080 12.647 -6.177 1.00 4.30 H new ATOM 0 HA THR A 114 -19.710 11.591 -5.693 1.00 5.21 H new ATOM 0 HB THR A 114 -20.232 14.120 -6.033 1.00 5.98 H new ATOM 0 HG1 THR A 114 -18.073 14.409 -7.115 1.00 6.34 H new ATOM 0 HG21 THR A 114 -19.384 14.660 -3.785 1.00 6.29 H new ATOM 0 HG22 THR A 114 -20.109 13.035 -3.841 1.00 6.29 H new ATOM 0 HG23 THR A 114 -18.339 13.220 -3.838 1.00 6.29 H new TER 1744 THR A 114 HETATM 1745 ZN ZN A 124 10.910 5.034 2.868 1.00 0.64 ZN