USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ 136:sc= 2.27 (180deg=-0.454) USER MOD Set 1.2: A 11 GLN : amide:sc= 0.796 K(o=0.91,f=-9.1!) USER MOD Set 1.3: A 19 TYR OH : rot 154:sc= 1.43 USER MOD Set 1.4: A 22 GLN : amide:sc= -2.71! C(o=0.91!,f=-2.9!) USER MOD Set 1.5: A 88 CYS SG : rot -16:sc= -0.866 USER MOD Single : A 2 SER OG : rot 38:sc= 0.16 USER MOD Single : A 4 MET CE :methyl -159:sc= -0.0985 (180deg=-0.597) USER MOD Single : A 5 GLN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 6 ASN : amide:sc= -2.86! K(o=-2.9!,f=-0.011) USER MOD Single : A 9 ASN : amide:sc= -1.08 K(o=-1.1,f=-9.4e-05) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.772 X(o=-0.77,f=-0.78) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -118:sc= -0.711 (180deg=-2.49!) USER MOD Single : A 21 SER OG : rot 81:sc= 0.604 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.31 USER MOD Single : A 32 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.2) USER MOD Single : A 34 THR OG1 : rot -130:sc= 0 USER MOD Single : A 35 THR OG1 : rot 89:sc= 0.945 USER MOD Single : A 36 LYS NZ :NH3+ 136:sc= 0.0836 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -39:sc= 0.905 USER MOD Single : A 43 TYR OH : rot 180:sc=-0.00436 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0564 (180deg=-0.358) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0428) USER MOD Single : A 83 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.8) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0337 USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= 1.16 (180deg=-0.0892) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -1.269 -5.509 1.562 1.00 72.35 N ATOM 21 CA SER A 2 -0.518 -5.393 0.303 1.00 43.31 C ATOM 22 C SER A 2 -1.427 -5.074 -0.897 1.00 51.21 C ATOM 23 O SER A 2 -2.201 -5.923 -1.348 1.00 14.25 O ATOM 24 CB SER A 2 0.244 -6.693 0.021 1.00 5.42 C ATOM 25 OG SER A 2 0.995 -7.117 1.147 1.00 20.34 O ATOM 0 HA SER A 2 0.178 -4.564 0.427 1.00 43.31 H new ATOM 0 HB2 SER A 2 -0.462 -7.474 -0.261 1.00 5.42 H new ATOM 0 HB3 SER A 2 0.912 -6.546 -0.828 1.00 5.42 H new ATOM 0 HG SER A 2 0.484 -6.943 1.965 1.00 20.34 H new ATOM 31 N TRP A 3 -1.319 -3.850 -1.412 1.00 61.53 N ATOM 32 CA TRP A 3 -2.048 -3.436 -2.623 1.00 63.55 C ATOM 33 C TRP A 3 -1.755 -4.385 -3.799 1.00 61.23 C ATOM 34 O TRP A 3 -2.659 -4.787 -4.537 1.00 32.34 O ATOM 35 CB TRP A 3 -1.648 -1.999 -2.999 1.00 63.41 C ATOM 36 CG TRP A 3 -2.307 -1.473 -4.245 1.00 61.52 C ATOM 37 CD1 TRP A 3 -3.547 -0.906 -4.341 1.00 53.11 C ATOM 38 CD2 TRP A 3 -1.754 -1.458 -5.571 1.00 34.32 C ATOM 39 NE1 TRP A 3 -3.799 -0.545 -5.643 1.00 42.43 N ATOM 40 CE2 TRP A 3 -2.713 -0.869 -6.415 1.00 12.25 C ATOM 41 CE3 TRP A 3 -0.541 -1.885 -6.125 1.00 0.42 C ATOM 42 CZ2 TRP A 3 -2.497 -0.698 -7.782 1.00 72.50 C ATOM 43 CZ3 TRP A 3 -0.329 -1.714 -7.480 1.00 34.11 C ATOM 44 CH2 TRP A 3 -1.300 -1.123 -8.295 1.00 24.31 C ATOM 0 H TRP A 3 -0.731 -3.119 -1.011 1.00 61.53 H new ATOM 0 HA TRP A 3 -3.117 -3.477 -2.412 1.00 63.55 H new ATOM 0 HB2 TRP A 3 -1.892 -1.338 -2.167 1.00 63.41 H new ATOM 0 HB3 TRP A 3 -0.567 -1.959 -3.131 1.00 63.41 H new ATOM 0 HD1 TRP A 3 -4.228 -0.763 -3.515 1.00 53.11 H new ATOM 0 HE1 TRP A 3 -4.656 -0.107 -5.981 1.00 42.43 H new ATOM 0 HE3 TRP A 3 0.216 -2.340 -5.504 1.00 0.42 H new ATOM 0 HZ2 TRP A 3 -3.247 -0.246 -8.414 1.00 72.50 H new ATOM 0 HZ3 TRP A 3 0.602 -2.042 -7.917 1.00 34.11 H new ATOM 0 HH2 TRP A 3 -1.102 -0.999 -9.349 1.00 24.31 H new ATOM 55 N MET A 4 -0.482 -4.749 -3.948 1.00 61.43 N ATOM 56 CA MET A 4 -0.030 -5.612 -5.044 1.00 64.11 C ATOM 57 C MET A 4 -0.817 -6.935 -5.127 1.00 34.23 C ATOM 58 O MET A 4 -1.252 -7.325 -6.210 1.00 41.10 O ATOM 59 CB MET A 4 1.477 -5.890 -4.919 1.00 31.31 C ATOM 60 CG MET A 4 1.920 -6.351 -3.534 1.00 41.23 C ATOM 61 SD MET A 4 1.823 -5.042 -2.295 1.00 34.42 S ATOM 62 CE MET A 4 3.096 -3.924 -2.879 1.00 64.30 C ATOM 0 H MET A 4 0.264 -4.457 -3.317 1.00 61.43 H new ATOM 0 HA MET A 4 -0.223 -5.073 -5.971 1.00 64.11 H new ATOM 0 HB2 MET A 4 1.755 -6.651 -5.648 1.00 31.31 H new ATOM 0 HB3 MET A 4 2.024 -4.984 -5.179 1.00 31.31 H new ATOM 0 HG2 MET A 4 1.298 -7.189 -3.219 1.00 41.23 H new ATOM 0 HG3 MET A 4 2.945 -6.717 -3.589 1.00 41.23 H new ATOM 0 HE1 MET A 4 3.419 -3.281 -2.060 1.00 64.30 H new ATOM 0 HE2 MET A 4 3.946 -4.500 -3.245 1.00 64.30 H new ATOM 0 HE3 MET A 4 2.698 -3.310 -3.687 1.00 64.30 H new ATOM 72 N GLN A 5 -1.012 -7.624 -3.998 1.00 45.42 N ATOM 73 CA GLN A 5 -1.769 -8.886 -4.010 1.00 52.13 C ATOM 74 C GLN A 5 -3.275 -8.630 -4.161 1.00 43.40 C ATOM 75 O GLN A 5 -3.982 -9.418 -4.787 1.00 14.03 O ATOM 76 CB GLN A 5 -1.503 -9.735 -2.757 1.00 4.45 C ATOM 77 CG GLN A 5 -1.930 -9.090 -1.444 1.00 11.12 C ATOM 78 CD GLN A 5 -1.902 -10.059 -0.266 1.00 75.42 C ATOM 79 OE1 GLN A 5 -2.651 -9.905 0.695 1.00 12.11 O ATOM 80 NE2 GLN A 5 -1.046 -11.062 -0.325 1.00 10.20 N ATOM 0 H GLN A 5 -0.666 -7.340 -3.082 1.00 45.42 H new ATOM 0 HA GLN A 5 -1.419 -9.449 -4.875 1.00 52.13 H new ATOM 0 HB2 GLN A 5 -2.023 -10.687 -2.864 1.00 4.45 H new ATOM 0 HB3 GLN A 5 -0.437 -9.958 -2.706 1.00 4.45 H new ATOM 0 HG2 GLN A 5 -1.273 -8.247 -1.229 1.00 11.12 H new ATOM 0 HG3 GLN A 5 -2.938 -8.689 -1.554 1.00 11.12 H new ATOM 0 HE21 GLN A 5 -0.436 -11.165 -1.136 1.00 10.20 H new ATOM 0 HE22 GLN A 5 -0.995 -11.734 0.440 1.00 10.20 H new ATOM 89 N ASN A 6 -3.758 -7.518 -3.593 1.00 62.23 N ATOM 90 CA ASN A 6 -5.162 -7.109 -3.756 1.00 55.31 C ATOM 91 C ASN A 6 -5.542 -7.067 -5.248 1.00 11.22 C ATOM 92 O ASN A 6 -6.676 -7.358 -5.629 1.00 63.20 O ATOM 93 CB ASN A 6 -5.392 -5.735 -3.105 1.00 62.23 C ATOM 94 CG ASN A 6 -6.819 -5.231 -3.264 1.00 30.22 C ATOM 95 OD1 ASN A 6 -7.685 -5.491 -2.433 1.00 11.45 O ATOM 96 ND2 ASN A 6 -7.079 -4.506 -4.335 1.00 23.43 N ATOM 0 H ASN A 6 -3.201 -6.886 -3.018 1.00 62.23 H new ATOM 0 HA ASN A 6 -5.798 -7.842 -3.260 1.00 55.31 H new ATOM 0 HB2 ASN A 6 -5.151 -5.797 -2.044 1.00 62.23 H new ATOM 0 HB3 ASN A 6 -4.706 -5.011 -3.546 1.00 62.23 H new ATOM 0 HD21 ASN A 6 -8.020 -4.145 -4.490 1.00 23.43 H new ATOM 0 HD22 ASN A 6 -6.339 -4.307 -5.008 1.00 23.43 H new ATOM 103 N LEU A 7 -4.580 -6.686 -6.083 1.00 23.42 N ATOM 104 CA LEU A 7 -4.751 -6.733 -7.539 1.00 43.24 C ATOM 105 C LEU A 7 -4.349 -8.108 -8.110 1.00 32.10 C ATOM 106 O LEU A 7 -5.046 -8.659 -8.959 1.00 63.00 O ATOM 107 CB LEU A 7 -3.931 -5.622 -8.220 1.00 33.34 C ATOM 108 CG LEU A 7 -4.525 -4.199 -8.153 1.00 55.23 C ATOM 109 CD1 LEU A 7 -5.866 -4.136 -8.878 1.00 43.43 C ATOM 110 CD2 LEU A 7 -4.671 -3.728 -6.709 1.00 44.51 C ATOM 0 H LEU A 7 -3.670 -6.340 -5.779 1.00 23.42 H new ATOM 0 HA LEU A 7 -5.809 -6.573 -7.748 1.00 43.24 H new ATOM 0 HB2 LEU A 7 -2.940 -5.601 -7.767 1.00 33.34 H new ATOM 0 HB3 LEU A 7 -3.797 -5.888 -9.268 1.00 33.34 H new ATOM 0 HG LEU A 7 -3.831 -3.526 -8.656 1.00 55.23 H new ATOM 0 HD11 LEU A 7 -6.265 -3.124 -8.817 1.00 43.43 H new ATOM 0 HD12 LEU A 7 -5.727 -4.409 -9.924 1.00 43.43 H new ATOM 0 HD13 LEU A 7 -6.565 -4.830 -8.411 1.00 43.43 H new ATOM 0 HD21 LEU A 7 -5.092 -2.723 -6.695 1.00 44.51 H new ATOM 0 HD22 LEU A 7 -5.333 -4.406 -6.170 1.00 44.51 H new ATOM 0 HD23 LEU A 7 -3.693 -3.718 -6.229 1.00 44.51 H new ATOM 122 N LYS A 8 -3.235 -8.667 -7.625 1.00 1.35 N ATOM 123 CA LYS A 8 -2.706 -9.934 -8.156 1.00 70.30 C ATOM 124 C LYS A 8 -3.579 -11.153 -7.783 1.00 54.43 C ATOM 125 O LYS A 8 -3.218 -12.291 -8.083 1.00 31.02 O ATOM 126 CB LYS A 8 -1.260 -10.161 -7.680 1.00 33.11 C ATOM 127 CG LYS A 8 -0.489 -11.178 -8.527 1.00 71.41 C ATOM 128 CD LYS A 8 0.864 -11.524 -7.916 1.00 5.54 C ATOM 129 CE LYS A 8 1.700 -12.412 -8.837 1.00 21.32 C ATOM 130 NZ LYS A 8 2.095 -11.705 -10.087 1.00 11.12 N ATOM 0 H LYS A 8 -2.682 -8.266 -6.868 1.00 1.35 H new ATOM 0 HA LYS A 8 -2.724 -9.844 -9.242 1.00 70.30 H new ATOM 0 HB2 LYS A 8 -0.728 -9.210 -7.695 1.00 33.11 H new ATOM 0 HB3 LYS A 8 -1.276 -10.501 -6.644 1.00 33.11 H new ATOM 0 HG2 LYS A 8 -1.082 -12.086 -8.631 1.00 71.41 H new ATOM 0 HG3 LYS A 8 -0.342 -10.777 -9.530 1.00 71.41 H new ATOM 0 HD2 LYS A 8 1.411 -10.605 -7.704 1.00 5.54 H new ATOM 0 HD3 LYS A 8 0.712 -12.032 -6.963 1.00 5.54 H new ATOM 0 HE2 LYS A 8 2.595 -12.741 -8.309 1.00 21.32 H new ATOM 0 HE3 LYS A 8 1.132 -13.307 -9.091 1.00 21.32 H new ATOM 0 HZ1 LYS A 8 3.096 -11.898 -10.293 1.00 11.12 H new ATOM 0 HZ2 LYS A 8 1.508 -12.041 -10.877 1.00 11.12 H new ATOM 0 HZ3 LYS A 8 1.958 -10.681 -9.965 1.00 11.12 H new ATOM 144 N ASN A 9 -4.719 -10.924 -7.119 1.00 44.24 N ATOM 145 CA ASN A 9 -5.728 -11.985 -6.947 1.00 72.33 C ATOM 146 C ASN A 9 -6.125 -12.561 -8.314 1.00 55.13 C ATOM 147 O ASN A 9 -6.584 -13.698 -8.426 1.00 12.23 O ATOM 148 CB ASN A 9 -6.975 -11.445 -6.234 1.00 72.41 C ATOM 149 CG ASN A 9 -6.718 -11.053 -4.790 1.00 72.23 C ATOM 150 OD1 ASN A 9 -7.327 -10.123 -4.272 1.00 31.22 O ATOM 151 ND2 ASN A 9 -5.845 -11.772 -4.119 1.00 21.33 N ATOM 0 H ASN A 9 -4.967 -10.029 -6.697 1.00 44.24 H new ATOM 0 HA ASN A 9 -5.291 -12.773 -6.334 1.00 72.33 H new ATOM 0 HB2 ASN A 9 -7.349 -10.577 -6.778 1.00 72.41 H new ATOM 0 HB3 ASN A 9 -7.759 -12.202 -6.264 1.00 72.41 H new ATOM 0 HD21 ASN A 9 -5.658 -11.563 -3.138 1.00 21.33 H new ATOM 0 HD22 ASN A 9 -5.355 -12.539 -4.579 1.00 21.33 H new ATOM 158 N TYR A 10 -5.954 -11.742 -9.349 1.00 74.34 N ATOM 159 CA TYR A 10 -6.114 -12.170 -10.736 1.00 0.31 C ATOM 160 C TYR A 10 -4.872 -11.764 -11.541 1.00 63.30 C ATOM 161 O TYR A 10 -4.217 -10.773 -11.221 1.00 15.30 O ATOM 162 CB TYR A 10 -7.371 -11.537 -11.359 1.00 41.10 C ATOM 163 CG TYR A 10 -7.302 -10.022 -11.485 1.00 10.23 C ATOM 164 CD1 TYR A 10 -7.700 -9.197 -10.439 1.00 13.22 C ATOM 165 CD2 TYR A 10 -6.828 -9.419 -12.649 1.00 40.44 C ATOM 166 CE1 TYR A 10 -7.630 -7.822 -10.550 1.00 4.23 C ATOM 167 CE2 TYR A 10 -6.754 -8.045 -12.763 1.00 65.41 C ATOM 168 CZ TYR A 10 -7.155 -7.251 -11.711 1.00 22.03 C ATOM 169 OH TYR A 10 -7.081 -5.881 -11.821 1.00 71.12 O ATOM 0 H TYR A 10 -5.700 -10.759 -9.249 1.00 74.34 H new ATOM 0 HA TYR A 10 -6.228 -13.254 -10.759 1.00 0.31 H new ATOM 0 HB2 TYR A 10 -7.530 -11.967 -12.348 1.00 41.10 H new ATOM 0 HB3 TYR A 10 -8.237 -11.802 -10.753 1.00 41.10 H new ATOM 0 HD1 TYR A 10 -8.070 -9.638 -9.525 1.00 13.22 H new ATOM 0 HD2 TYR A 10 -6.513 -10.038 -13.476 1.00 40.44 H new ATOM 0 HE1 TYR A 10 -7.947 -7.196 -9.729 1.00 4.23 H new ATOM 0 HE2 TYR A 10 -6.384 -7.595 -13.672 1.00 65.41 H new ATOM 0 HH TYR A 10 -6.724 -5.642 -12.702 1.00 71.12 H new ATOM 179 N GLN A 11 -4.542 -12.520 -12.579 1.00 42.22 N ATOM 180 CA GLN A 11 -3.422 -12.156 -13.452 1.00 52.45 C ATOM 181 C GLN A 11 -3.907 -11.996 -14.899 1.00 63.11 C ATOM 182 O GLN A 11 -4.275 -12.975 -15.557 1.00 12.42 O ATOM 183 CB GLN A 11 -2.298 -13.201 -13.370 1.00 40.44 C ATOM 184 CG GLN A 11 -0.962 -12.719 -13.938 1.00 53.53 C ATOM 185 CD GLN A 11 -0.364 -11.560 -13.148 1.00 55.41 C ATOM 186 OE1 GLN A 11 0.384 -11.757 -12.189 1.00 54.30 O ATOM 187 NE2 GLN A 11 -0.680 -10.342 -13.543 1.00 35.20 N ATOM 0 H GLN A 11 -5.024 -13.380 -12.840 1.00 42.22 H new ATOM 0 HA GLN A 11 -3.018 -11.202 -13.112 1.00 52.45 H new ATOM 0 HB2 GLN A 11 -2.157 -13.487 -12.328 1.00 40.44 H new ATOM 0 HB3 GLN A 11 -2.608 -14.097 -13.907 1.00 40.44 H new ATOM 0 HG2 GLN A 11 -0.256 -13.549 -13.946 1.00 53.53 H new ATOM 0 HG3 GLN A 11 -1.103 -12.411 -14.974 1.00 53.53 H new ATOM 0 HE21 GLN A 11 -1.302 -10.210 -14.341 1.00 35.20 H new ATOM 0 HE22 GLN A 11 -0.302 -9.532 -13.051 1.00 35.20 H new ATOM 196 N HIS A 12 -3.927 -10.759 -15.379 1.00 32.52 N ATOM 197 CA HIS A 12 -4.420 -10.449 -16.722 1.00 22.30 C ATOM 198 C HIS A 12 -3.292 -10.604 -17.767 1.00 61.10 C ATOM 199 O HIS A 12 -2.161 -10.941 -17.418 1.00 23.21 O ATOM 200 CB HIS A 12 -4.995 -9.020 -16.720 1.00 24.42 C ATOM 201 CG HIS A 12 -5.858 -8.687 -17.898 1.00 74.41 C ATOM 202 ND1 HIS A 12 -7.042 -9.336 -18.172 1.00 30.23 N ATOM 203 CD2 HIS A 12 -5.709 -7.762 -18.875 1.00 71.31 C ATOM 204 CE1 HIS A 12 -7.581 -8.827 -19.260 1.00 53.25 C ATOM 205 NE2 HIS A 12 -6.795 -7.870 -19.707 1.00 33.23 N ATOM 0 H HIS A 12 -3.605 -9.945 -14.855 1.00 32.52 H new ATOM 0 HA HIS A 12 -5.209 -11.149 -16.998 1.00 22.30 H new ATOM 0 HB2 HIS A 12 -5.578 -8.880 -15.810 1.00 24.42 H new ATOM 0 HB3 HIS A 12 -4.168 -8.311 -16.682 1.00 24.42 H new ATOM 0 HD2 HIS A 12 -4.888 -7.068 -18.980 1.00 71.31 H new ATOM 0 HE1 HIS A 12 -8.511 -9.141 -19.710 1.00 53.25 H new ATOM 0 HE2 HIS A 12 -6.965 -7.301 -20.537 1.00 33.23 H new ATOM 214 N LEU A 13 -3.615 -10.384 -19.047 1.00 31.23 N ATOM 215 CA LEU A 13 -2.628 -10.452 -20.144 1.00 73.04 C ATOM 216 C LEU A 13 -1.283 -9.796 -19.769 1.00 53.50 C ATOM 217 O LEU A 13 -0.213 -10.323 -20.085 1.00 3.45 O ATOM 218 CB LEU A 13 -3.197 -9.771 -21.396 1.00 15.42 C ATOM 219 CG LEU A 13 -4.516 -10.356 -21.927 1.00 5.10 C ATOM 220 CD1 LEU A 13 -5.034 -9.531 -23.102 1.00 22.11 C ATOM 221 CD2 LEU A 13 -4.340 -11.823 -22.326 1.00 42.32 C ATOM 0 H LEU A 13 -4.560 -10.155 -19.356 1.00 31.23 H new ATOM 0 HA LEU A 13 -2.435 -11.507 -20.340 1.00 73.04 H new ATOM 0 HB2 LEU A 13 -3.351 -8.715 -21.175 1.00 15.42 H new ATOM 0 HB3 LEU A 13 -2.451 -9.825 -22.189 1.00 15.42 H new ATOM 0 HG LEU A 13 -5.255 -10.312 -21.127 1.00 5.10 H new ATOM 0 HD11 LEU A 13 -5.968 -9.960 -23.464 1.00 22.11 H new ATOM 0 HD12 LEU A 13 -5.208 -8.505 -22.778 1.00 22.11 H new ATOM 0 HD13 LEU A 13 -4.296 -9.538 -23.904 1.00 22.11 H new ATOM 0 HD21 LEU A 13 -5.286 -12.215 -22.698 1.00 42.32 H new ATOM 0 HD22 LEU A 13 -3.583 -11.899 -23.107 1.00 42.32 H new ATOM 0 HD23 LEU A 13 -4.025 -12.401 -21.457 1.00 42.32 H new ATOM 233 N ARG A 14 -1.358 -8.638 -19.113 1.00 53.23 N ATOM 234 CA ARG A 14 -0.172 -7.926 -18.620 1.00 41.41 C ATOM 235 C ARG A 14 -0.571 -6.775 -17.681 1.00 62.42 C ATOM 236 O ARG A 14 -1.219 -5.815 -18.100 1.00 24.14 O ATOM 237 CB ARG A 14 0.674 -7.386 -19.788 1.00 15.23 C ATOM 238 CG ARG A 14 -0.131 -6.647 -20.856 1.00 51.32 C ATOM 239 CD ARG A 14 0.775 -5.920 -21.843 1.00 72.32 C ATOM 240 NE ARG A 14 1.420 -4.759 -21.230 1.00 31.33 N ATOM 241 CZ ARG A 14 2.618 -4.334 -21.527 1.00 34.35 C ATOM 242 NH1 ARG A 14 3.369 -4.983 -22.359 1.00 70.10 N ATOM 243 NH2 ARG A 14 3.076 -3.258 -20.974 1.00 13.11 N ATOM 0 H ARG A 14 -2.238 -8.166 -18.907 1.00 53.23 H new ATOM 0 HA ARG A 14 0.430 -8.640 -18.058 1.00 41.41 H new ATOM 0 HB2 ARG A 14 1.433 -6.713 -19.391 1.00 15.23 H new ATOM 0 HB3 ARG A 14 1.200 -8.218 -20.256 1.00 15.23 H new ATOM 0 HG2 ARG A 14 -0.760 -7.357 -21.394 1.00 51.32 H new ATOM 0 HG3 ARG A 14 -0.798 -5.930 -20.378 1.00 51.32 H new ATOM 0 HD2 ARG A 14 1.537 -6.607 -22.212 1.00 72.32 H new ATOM 0 HD3 ARG A 14 0.191 -5.599 -22.705 1.00 72.32 H new ATOM 0 HE ARG A 14 0.897 -4.245 -20.521 1.00 31.33 H new ATOM 0 HH11 ARG A 14 3.027 -5.840 -22.793 1.00 70.10 H new ATOM 0 HH12 ARG A 14 4.303 -4.637 -22.580 1.00 70.10 H new ATOM 0 HH21 ARG A 14 2.501 -2.743 -20.307 1.00 13.11 H new ATOM 0 HH22 ARG A 14 4.012 -2.925 -21.205 1.00 13.11 H new ATOM 257 N ASP A 15 -0.193 -6.885 -16.410 1.00 60.42 N ATOM 258 CA ASP A 15 -0.488 -5.844 -15.418 1.00 44.54 C ATOM 259 C ASP A 15 0.794 -5.084 -15.023 1.00 73.43 C ATOM 260 O ASP A 15 1.560 -5.541 -14.165 1.00 63.32 O ATOM 261 CB ASP A 15 -1.143 -6.472 -14.184 1.00 5.25 C ATOM 262 CG ASP A 15 -2.431 -7.203 -14.532 1.00 13.50 C ATOM 263 OD1 ASP A 15 -3.486 -6.537 -14.639 1.00 33.13 O ATOM 264 OD2 ASP A 15 -2.387 -8.442 -14.713 1.00 74.14 O ATOM 0 H ASP A 15 0.319 -7.685 -16.038 1.00 60.42 H new ATOM 0 HA ASP A 15 -1.180 -5.127 -15.860 1.00 44.54 H new ATOM 0 HB2 ASP A 15 -0.446 -7.168 -13.718 1.00 5.25 H new ATOM 0 HB3 ASP A 15 -1.355 -5.694 -13.450 1.00 5.25 H new ATOM 269 N PRO A 16 1.051 -3.918 -15.655 1.00 4.12 N ATOM 270 CA PRO A 16 2.303 -3.162 -15.459 1.00 3.12 C ATOM 271 C PRO A 16 2.443 -2.544 -14.054 1.00 25.21 C ATOM 272 O PRO A 16 3.359 -2.890 -13.305 1.00 5.03 O ATOM 273 CB PRO A 16 2.226 -2.063 -16.531 1.00 44.23 C ATOM 274 CG PRO A 16 0.768 -1.890 -16.802 1.00 22.34 C ATOM 275 CD PRO A 16 0.144 -3.250 -16.615 1.00 53.32 C ATOM 0 HA PRO A 16 3.173 -3.812 -15.547 1.00 3.12 H new ATOM 0 HB2 PRO A 16 2.675 -1.135 -16.178 1.00 44.23 H new ATOM 0 HB3 PRO A 16 2.764 -2.354 -17.434 1.00 44.23 H new ATOM 0 HG2 PRO A 16 0.328 -1.162 -16.120 1.00 22.34 H new ATOM 0 HG3 PRO A 16 0.601 -1.520 -17.814 1.00 22.34 H new ATOM 0 HD2 PRO A 16 -0.870 -3.176 -16.223 1.00 53.32 H new ATOM 0 HD3 PRO A 16 0.083 -3.796 -17.556 1.00 53.32 H new ATOM 283 N SER A 17 1.535 -1.631 -13.703 1.00 42.12 N ATOM 284 CA SER A 17 1.595 -0.918 -12.414 1.00 73.12 C ATOM 285 C SER A 17 1.502 -1.886 -11.230 1.00 53.34 C ATOM 286 O SER A 17 2.138 -1.688 -10.190 1.00 74.34 O ATOM 287 CB SER A 17 0.465 0.118 -12.330 1.00 13.10 C ATOM 288 OG SER A 17 0.545 1.051 -13.401 1.00 72.43 O ATOM 0 H SER A 17 0.746 -1.364 -14.291 1.00 42.12 H new ATOM 0 HA SER A 17 2.558 -0.411 -12.360 1.00 73.12 H new ATOM 0 HB2 SER A 17 -0.500 -0.389 -12.356 1.00 13.10 H new ATOM 0 HB3 SER A 17 0.522 0.646 -11.378 1.00 13.10 H new ATOM 0 HG SER A 17 -0.186 1.699 -13.326 1.00 72.43 H new ATOM 294 N GLU A 18 0.714 -2.939 -11.406 1.00 23.11 N ATOM 295 CA GLU A 18 0.525 -3.961 -10.375 1.00 44.51 C ATOM 296 C GLU A 18 1.842 -4.695 -10.069 1.00 5.31 C ATOM 297 O GLU A 18 2.334 -4.675 -8.936 1.00 13.45 O ATOM 298 CB GLU A 18 -0.547 -4.970 -10.826 1.00 2.45 C ATOM 299 CG GLU A 18 -1.967 -4.399 -10.935 1.00 31.01 C ATOM 300 CD GLU A 18 -2.084 -3.201 -11.872 1.00 23.21 C ATOM 301 OE1 GLU A 18 -1.601 -3.283 -13.021 1.00 13.34 O ATOM 302 OE2 GLU A 18 -2.670 -2.174 -11.464 1.00 63.32 O ATOM 0 H GLU A 18 0.188 -3.112 -12.263 1.00 23.11 H new ATOM 0 HA GLU A 18 0.195 -3.465 -9.463 1.00 44.51 H new ATOM 0 HB2 GLU A 18 -0.259 -5.375 -11.796 1.00 2.45 H new ATOM 0 HB3 GLU A 18 -0.559 -5.803 -10.123 1.00 2.45 H new ATOM 0 HG2 GLU A 18 -2.638 -5.185 -11.281 1.00 31.01 H new ATOM 0 HG3 GLU A 18 -2.306 -4.105 -9.942 1.00 31.01 H new ATOM 309 N TYR A 19 2.420 -5.329 -11.089 1.00 23.05 N ATOM 310 CA TYR A 19 3.671 -6.076 -10.923 1.00 14.35 C ATOM 311 C TYR A 19 4.825 -5.144 -10.518 1.00 63.35 C ATOM 312 O TYR A 19 5.665 -5.501 -9.690 1.00 71.33 O ATOM 313 CB TYR A 19 4.023 -6.838 -12.215 1.00 74.32 C ATOM 314 CG TYR A 19 4.257 -8.322 -11.998 1.00 73.41 C ATOM 315 CD1 TYR A 19 4.682 -8.803 -10.764 1.00 1.24 C ATOM 316 CD2 TYR A 19 4.044 -9.239 -13.019 1.00 31.21 C ATOM 317 CE1 TYR A 19 4.891 -10.149 -10.556 1.00 11.01 C ATOM 318 CE2 TYR A 19 4.250 -10.590 -12.817 1.00 24.52 C ATOM 319 CZ TYR A 19 4.675 -11.038 -11.583 1.00 52.12 C ATOM 320 OH TYR A 19 4.872 -12.382 -11.370 1.00 65.42 O ATOM 0 H TYR A 19 2.045 -5.342 -12.037 1.00 23.05 H new ATOM 0 HA TYR A 19 3.524 -6.799 -10.121 1.00 14.35 H new ATOM 0 HB2 TYR A 19 3.216 -6.707 -12.936 1.00 74.32 H new ATOM 0 HB3 TYR A 19 4.918 -6.398 -12.655 1.00 74.32 H new ATOM 0 HD1 TYR A 19 4.851 -8.109 -9.954 1.00 1.24 H new ATOM 0 HD2 TYR A 19 3.712 -8.891 -13.986 1.00 31.21 H new ATOM 0 HE1 TYR A 19 5.223 -10.504 -9.591 1.00 11.01 H new ATOM 0 HE2 TYR A 19 4.079 -11.291 -13.620 1.00 24.52 H new ATOM 0 HH TYR A 19 4.314 -12.897 -11.990 1.00 65.42 H new ATOM 330 N MET A 20 4.842 -3.944 -11.097 1.00 72.44 N ATOM 331 CA MET A 20 5.852 -2.929 -10.773 1.00 2.12 C ATOM 332 C MET A 20 5.884 -2.633 -9.267 1.00 22.14 C ATOM 333 O MET A 20 6.952 -2.515 -8.664 1.00 32.33 O ATOM 334 CB MET A 20 5.561 -1.636 -11.546 1.00 61.21 C ATOM 335 CG MET A 20 6.569 -0.521 -11.302 1.00 61.40 C ATOM 336 SD MET A 20 6.087 1.025 -12.099 1.00 11.41 S ATOM 337 CE MET A 20 4.560 1.394 -11.231 1.00 4.41 C ATOM 0 H MET A 20 4.164 -3.647 -11.798 1.00 72.44 H new ATOM 0 HA MET A 20 6.827 -3.320 -11.065 1.00 2.12 H new ATOM 0 HB2 MET A 20 5.537 -1.861 -12.612 1.00 61.21 H new ATOM 0 HB3 MET A 20 4.568 -1.279 -11.273 1.00 61.21 H new ATOM 0 HG2 MET A 20 6.673 -0.357 -10.229 1.00 61.40 H new ATOM 0 HG3 MET A 20 7.546 -0.830 -11.674 1.00 61.40 H new ATOM 0 HE1 MET A 20 3.732 1.404 -11.940 1.00 4.41 H new ATOM 0 HE2 MET A 20 4.379 0.632 -10.473 1.00 4.41 H new ATOM 0 HE3 MET A 20 4.640 2.370 -10.753 1.00 4.41 H new ATOM 347 N SER A 21 4.702 -2.515 -8.669 1.00 44.03 N ATOM 348 CA SER A 21 4.584 -2.239 -7.231 1.00 51.31 C ATOM 349 C SER A 21 4.863 -3.493 -6.389 1.00 10.31 C ATOM 350 O SER A 21 5.244 -3.394 -5.222 1.00 40.53 O ATOM 351 CB SER A 21 3.186 -1.701 -6.905 1.00 73.31 C ATOM 352 OG SER A 21 2.911 -0.509 -7.627 1.00 61.24 O ATOM 0 H SER A 21 3.809 -2.605 -9.154 1.00 44.03 H new ATOM 0 HA SER A 21 5.332 -1.487 -6.980 1.00 51.31 H new ATOM 0 HB2 SER A 21 2.438 -2.456 -7.147 1.00 73.31 H new ATOM 0 HB3 SER A 21 3.109 -1.507 -5.835 1.00 73.31 H new ATOM 0 HG SER A 21 2.631 -0.736 -8.538 1.00 61.24 H new ATOM 358 N GLN A 22 4.663 -4.671 -6.981 1.00 4.35 N ATOM 359 CA GLN A 22 4.904 -5.939 -6.281 1.00 3.02 C ATOM 360 C GLN A 22 6.404 -6.244 -6.091 1.00 63.55 C ATOM 361 O GLN A 22 6.934 -6.095 -4.990 1.00 20.41 O ATOM 362 CB GLN A 22 4.216 -7.105 -7.018 1.00 41.45 C ATOM 363 CG GLN A 22 4.723 -8.481 -6.586 1.00 0.03 C ATOM 364 CD GLN A 22 3.887 -9.637 -7.107 1.00 2.41 C ATOM 365 OE1 GLN A 22 3.215 -9.538 -8.129 1.00 50.05 O ATOM 366 NE2 GLN A 22 3.957 -10.762 -6.425 1.00 71.34 N ATOM 0 H GLN A 22 4.336 -4.776 -7.941 1.00 4.35 H new ATOM 0 HA GLN A 22 4.471 -5.831 -5.287 1.00 3.02 H new ATOM 0 HB2 GLN A 22 3.141 -7.051 -6.844 1.00 41.45 H new ATOM 0 HB3 GLN A 22 4.372 -6.989 -8.091 1.00 41.45 H new ATOM 0 HG2 GLN A 22 5.750 -8.604 -6.931 1.00 0.03 H new ATOM 0 HG3 GLN A 22 4.745 -8.524 -5.497 1.00 0.03 H new ATOM 0 HE21 GLN A 22 4.525 -10.811 -5.579 1.00 71.34 H new ATOM 0 HE22 GLN A 22 3.443 -11.584 -6.743 1.00 71.34 H new ATOM 375 N VAL A 23 7.079 -6.650 -7.167 1.00 51.24 N ATOM 376 CA VAL A 23 8.447 -7.184 -7.072 1.00 33.22 C ATOM 377 C VAL A 23 9.444 -6.155 -6.509 1.00 12.12 C ATOM 378 O VAL A 23 9.667 -5.097 -7.100 1.00 0.44 O ATOM 379 CB VAL A 23 8.949 -7.688 -8.450 1.00 31.15 C ATOM 380 CG1 VAL A 23 10.357 -8.275 -8.340 1.00 32.13 C ATOM 381 CG2 VAL A 23 7.977 -8.715 -9.031 1.00 71.54 C ATOM 0 H VAL A 23 6.705 -6.621 -8.116 1.00 51.24 H new ATOM 0 HA VAL A 23 8.398 -8.021 -6.376 1.00 33.22 H new ATOM 0 HB VAL A 23 8.994 -6.835 -9.127 1.00 31.15 H new ATOM 0 HG11 VAL A 23 10.685 -8.621 -9.320 1.00 32.13 H new ATOM 0 HG12 VAL A 23 11.043 -7.510 -7.977 1.00 32.13 H new ATOM 0 HG13 VAL A 23 10.348 -9.114 -7.644 1.00 32.13 H new ATOM 0 HG21 VAL A 23 8.345 -9.058 -9.998 1.00 71.54 H new ATOM 0 HG22 VAL A 23 7.896 -9.564 -8.352 1.00 71.54 H new ATOM 0 HG23 VAL A 23 6.996 -8.257 -9.158 1.00 71.54 H new ATOM 391 N TYR A 24 10.038 -6.484 -5.361 1.00 54.41 N ATOM 392 CA TYR A 24 11.030 -5.618 -4.700 1.00 71.14 C ATOM 393 C TYR A 24 12.337 -5.479 -5.515 1.00 53.21 C ATOM 394 O TYR A 24 13.116 -4.545 -5.303 1.00 20.20 O ATOM 395 CB TYR A 24 11.334 -6.176 -3.298 1.00 61.14 C ATOM 396 CG TYR A 24 12.415 -5.422 -2.543 1.00 2.41 C ATOM 397 CD1 TYR A 24 12.180 -4.149 -2.035 1.00 13.05 C ATOM 398 CD2 TYR A 24 13.676 -5.980 -2.351 1.00 71.41 C ATOM 399 CE1 TYR A 24 13.167 -3.459 -1.360 1.00 1.15 C ATOM 400 CE2 TYR A 24 14.667 -5.293 -1.678 1.00 3.05 C ATOM 401 CZ TYR A 24 14.407 -4.034 -1.184 1.00 53.54 C ATOM 402 OH TYR A 24 15.392 -3.345 -0.515 1.00 34.35 O ATOM 0 H TYR A 24 9.850 -7.353 -4.861 1.00 54.41 H new ATOM 0 HA TYR A 24 10.601 -4.619 -4.625 1.00 71.14 H new ATOM 0 HB2 TYR A 24 10.418 -6.161 -2.708 1.00 61.14 H new ATOM 0 HB3 TYR A 24 11.635 -7.219 -3.393 1.00 61.14 H new ATOM 0 HD1 TYR A 24 11.210 -3.693 -2.171 1.00 13.05 H new ATOM 0 HD2 TYR A 24 13.883 -6.968 -2.735 1.00 71.41 H new ATOM 0 HE1 TYR A 24 12.968 -2.471 -0.971 1.00 1.15 H new ATOM 0 HE2 TYR A 24 15.640 -5.740 -1.540 1.00 3.05 H new ATOM 0 HH TYR A 24 16.205 -3.891 -0.477 1.00 34.35 H new ATOM 412 N GLY A 25 12.564 -6.400 -6.449 1.00 21.33 N ATOM 413 CA GLY A 25 13.817 -6.428 -7.207 1.00 21.12 C ATOM 414 C GLY A 25 14.034 -5.234 -8.145 1.00 24.11 C ATOM 415 O GLY A 25 13.243 -4.286 -8.170 1.00 10.44 O ATOM 0 H GLY A 25 11.902 -7.134 -6.700 1.00 21.33 H new ATOM 0 HA2 GLY A 25 14.649 -6.474 -6.504 1.00 21.12 H new ATOM 0 HA3 GLY A 25 13.847 -7.344 -7.797 1.00 21.12 H new ATOM 419 N ASP A 26 15.119 -5.296 -8.925 1.00 3.42 N ATOM 420 CA ASP A 26 15.489 -4.226 -9.867 1.00 11.41 C ATOM 421 C ASP A 26 14.366 -3.916 -10.878 1.00 32.04 C ATOM 422 O ASP A 26 13.619 -4.809 -11.282 1.00 23.22 O ATOM 423 CB ASP A 26 16.767 -4.607 -10.629 1.00 53.44 C ATOM 424 CG ASP A 26 18.000 -4.606 -9.746 1.00 54.14 C ATOM 425 OD1 ASP A 26 18.602 -3.527 -9.561 1.00 31.25 O ATOM 426 OD2 ASP A 26 18.382 -5.680 -9.240 1.00 71.13 O ATOM 0 H ASP A 26 15.765 -6.085 -8.924 1.00 3.42 H new ATOM 0 HA ASP A 26 15.660 -3.328 -9.273 1.00 11.41 H new ATOM 0 HB2 ASP A 26 16.641 -5.597 -11.068 1.00 53.44 H new ATOM 0 HB3 ASP A 26 16.915 -3.909 -11.453 1.00 53.44 H new ATOM 431 N PRO A 27 14.256 -2.639 -11.316 1.00 43.45 N ATOM 432 CA PRO A 27 13.223 -2.197 -12.272 1.00 25.05 C ATOM 433 C PRO A 27 13.009 -3.157 -13.457 1.00 15.35 C ATOM 434 O PRO A 27 11.898 -3.644 -13.681 1.00 34.24 O ATOM 435 CB PRO A 27 13.771 -0.851 -12.761 1.00 4.50 C ATOM 436 CG PRO A 27 14.530 -0.317 -11.594 1.00 62.04 C ATOM 437 CD PRO A 27 15.131 -1.516 -10.903 1.00 64.31 C ATOM 0 HA PRO A 27 12.241 -2.149 -11.801 1.00 25.05 H new ATOM 0 HB2 PRO A 27 14.415 -0.976 -13.631 1.00 4.50 H new ATOM 0 HB3 PRO A 27 12.966 -0.177 -13.055 1.00 4.50 H new ATOM 0 HG2 PRO A 27 15.306 0.376 -11.918 1.00 62.04 H new ATOM 0 HG3 PRO A 27 13.873 0.233 -10.920 1.00 62.04 H new ATOM 0 HD2 PRO A 27 16.164 -1.679 -11.212 1.00 64.31 H new ATOM 0 HD3 PRO A 27 15.138 -1.392 -9.820 1.00 64.31 H new ATOM 445 N LEU A 28 14.080 -3.443 -14.198 1.00 61.05 N ATOM 446 CA LEU A 28 13.983 -4.243 -15.427 1.00 34.53 C ATOM 447 C LEU A 28 13.349 -5.631 -15.192 1.00 35.04 C ATOM 448 O LEU A 28 12.818 -6.231 -16.121 1.00 53.34 O ATOM 449 CB LEU A 28 15.362 -4.398 -16.102 1.00 23.30 C ATOM 450 CG LEU A 28 16.398 -5.271 -15.363 1.00 10.10 C ATOM 451 CD1 LEU A 28 17.600 -5.559 -16.263 1.00 12.03 C ATOM 452 CD2 LEU A 28 16.856 -4.606 -14.068 1.00 54.32 C ATOM 0 H LEU A 28 15.026 -3.134 -13.972 1.00 61.05 H new ATOM 0 HA LEU A 28 13.319 -3.693 -16.093 1.00 34.53 H new ATOM 0 HB2 LEU A 28 15.210 -4.818 -17.096 1.00 23.30 H new ATOM 0 HB3 LEU A 28 15.789 -3.404 -16.238 1.00 23.30 H new ATOM 0 HG LEU A 28 15.916 -6.215 -15.109 1.00 10.10 H new ATOM 0 HD11 LEU A 28 18.319 -6.176 -15.724 1.00 12.03 H new ATOM 0 HD12 LEU A 28 17.267 -6.087 -17.157 1.00 12.03 H new ATOM 0 HD13 LEU A 28 18.072 -4.620 -16.551 1.00 12.03 H new ATOM 0 HD21 LEU A 28 17.585 -5.244 -13.569 1.00 54.32 H new ATOM 0 HD22 LEU A 28 17.312 -3.643 -14.295 1.00 54.32 H new ATOM 0 HD23 LEU A 28 15.998 -4.456 -13.413 1.00 54.32 H new ATOM 464 N ALA A 29 13.384 -6.126 -13.952 1.00 30.34 N ATOM 465 CA ALA A 29 12.809 -7.440 -13.627 1.00 42.02 C ATOM 466 C ALA A 29 11.299 -7.488 -13.927 1.00 40.03 C ATOM 467 O ALA A 29 10.868 -8.076 -14.925 1.00 53.21 O ATOM 468 CB ALA A 29 13.075 -7.780 -12.165 1.00 21.13 C ATOM 0 H ALA A 29 13.802 -5.641 -13.158 1.00 30.34 H new ATOM 0 HA ALA A 29 13.292 -8.185 -14.260 1.00 42.02 H new ATOM 0 HB1 ALA A 29 12.645 -8.755 -11.934 1.00 21.13 H new ATOM 0 HB2 ALA A 29 14.150 -7.806 -11.987 1.00 21.13 H new ATOM 0 HB3 ALA A 29 12.620 -7.023 -11.527 1.00 21.13 H new ATOM 474 N TYR A 30 10.501 -6.841 -13.078 1.00 63.13 N ATOM 475 CA TYR A 30 9.046 -6.790 -13.279 1.00 51.42 C ATOM 476 C TYR A 30 8.675 -6.104 -14.606 1.00 34.20 C ATOM 477 O TYR A 30 7.606 -6.356 -15.167 1.00 71.51 O ATOM 478 CB TYR A 30 8.348 -6.105 -12.091 1.00 3.11 C ATOM 479 CG TYR A 30 9.032 -4.844 -11.584 1.00 12.32 C ATOM 480 CD1 TYR A 30 8.931 -3.637 -12.269 1.00 61.14 C ATOM 481 CD2 TYR A 30 9.767 -4.863 -10.402 1.00 60.33 C ATOM 482 CE1 TYR A 30 9.544 -2.493 -11.792 1.00 3.13 C ATOM 483 CE2 TYR A 30 10.376 -3.724 -9.920 1.00 1.40 C ATOM 484 CZ TYR A 30 10.262 -2.542 -10.615 1.00 54.42 C ATOM 485 OH TYR A 30 10.872 -1.404 -10.130 1.00 75.52 O ATOM 0 H TYR A 30 10.831 -6.347 -12.249 1.00 63.13 H new ATOM 0 HA TYR A 30 8.691 -7.819 -13.335 1.00 51.42 H new ATOM 0 HB2 TYR A 30 7.328 -5.855 -12.383 1.00 3.11 H new ATOM 0 HB3 TYR A 30 8.278 -6.818 -11.269 1.00 3.11 H new ATOM 0 HD1 TYR A 30 8.365 -3.593 -13.188 1.00 61.14 H new ATOM 0 HD2 TYR A 30 9.862 -5.788 -9.852 1.00 60.33 H new ATOM 0 HE1 TYR A 30 9.461 -1.565 -12.338 1.00 3.13 H new ATOM 0 HE2 TYR A 30 10.941 -3.759 -9.000 1.00 1.40 H new ATOM 0 HH TYR A 30 11.335 -1.613 -9.292 1.00 75.52 H new ATOM 495 N LEU A 31 9.560 -5.244 -15.114 1.00 72.31 N ATOM 496 CA LEU A 31 9.351 -4.631 -16.429 1.00 3.22 C ATOM 497 C LEU A 31 9.377 -5.686 -17.546 1.00 44.02 C ATOM 498 O LEU A 31 8.588 -5.618 -18.489 1.00 15.32 O ATOM 499 CB LEU A 31 10.390 -3.533 -16.698 1.00 52.33 C ATOM 500 CG LEU A 31 10.247 -2.272 -15.826 1.00 25.10 C ATOM 501 CD1 LEU A 31 11.339 -1.257 -16.154 1.00 42.43 C ATOM 502 CD2 LEU A 31 8.860 -1.649 -15.995 1.00 64.24 C ATOM 0 H LEU A 31 10.418 -4.958 -14.643 1.00 72.31 H new ATOM 0 HA LEU A 31 8.363 -4.171 -16.423 1.00 3.22 H new ATOM 0 HB2 LEU A 31 11.385 -3.951 -16.545 1.00 52.33 H new ATOM 0 HB3 LEU A 31 10.324 -3.241 -17.746 1.00 52.33 H new ATOM 0 HG LEU A 31 10.362 -2.568 -14.783 1.00 25.10 H new ATOM 0 HD11 LEU A 31 11.217 -0.375 -15.525 1.00 42.43 H new ATOM 0 HD12 LEU A 31 12.317 -1.702 -15.969 1.00 42.43 H new ATOM 0 HD13 LEU A 31 11.264 -0.968 -17.202 1.00 42.43 H new ATOM 0 HD21 LEU A 31 8.782 -0.760 -15.370 1.00 64.24 H new ATOM 0 HD22 LEU A 31 8.710 -1.373 -17.039 1.00 64.24 H new ATOM 0 HD23 LEU A 31 8.099 -2.370 -15.697 1.00 64.24 H new ATOM 514 N GLN A 32 10.271 -6.671 -17.440 1.00 54.30 N ATOM 515 CA GLN A 32 10.311 -7.766 -18.417 1.00 42.23 C ATOM 516 C GLN A 32 9.101 -8.698 -18.264 1.00 22.55 C ATOM 517 O GLN A 32 8.588 -9.220 -19.254 1.00 63.02 O ATOM 518 CB GLN A 32 11.611 -8.575 -18.312 1.00 24.10 C ATOM 519 CG GLN A 32 12.852 -7.809 -18.758 1.00 22.00 C ATOM 520 CD GLN A 32 14.075 -8.700 -18.891 1.00 1.13 C ATOM 521 OE1 GLN A 32 14.208 -9.701 -18.202 1.00 10.02 O ATOM 522 NE2 GLN A 32 14.971 -8.344 -19.786 1.00 21.43 N ATOM 0 H GLN A 32 10.969 -6.735 -16.699 1.00 54.30 H new ATOM 0 HA GLN A 32 10.274 -7.306 -19.404 1.00 42.23 H new ATOM 0 HB2 GLN A 32 11.746 -8.896 -17.279 1.00 24.10 H new ATOM 0 HB3 GLN A 32 11.516 -9.477 -18.916 1.00 24.10 H new ATOM 0 HG2 GLN A 32 12.652 -7.328 -19.715 1.00 22.00 H new ATOM 0 HG3 GLN A 32 13.062 -7.016 -18.040 1.00 22.00 H new ATOM 0 HE21 GLN A 32 14.828 -7.502 -20.344 1.00 21.43 H new ATOM 0 HE22 GLN A 32 15.809 -8.910 -19.922 1.00 21.43 H new ATOM 531 N GLU A 33 8.644 -8.905 -17.029 1.00 64.01 N ATOM 532 CA GLU A 33 7.447 -9.721 -16.783 1.00 72.40 C ATOM 533 C GLU A 33 6.220 -9.149 -17.515 1.00 75.13 C ATOM 534 O GLU A 33 5.572 -9.845 -18.298 1.00 31.24 O ATOM 535 CB GLU A 33 7.155 -9.838 -15.276 1.00 21.15 C ATOM 536 CG GLU A 33 8.237 -10.569 -14.486 1.00 23.13 C ATOM 537 CD GLU A 33 7.823 -10.847 -13.047 1.00 51.32 C ATOM 538 OE1 GLU A 33 7.898 -9.918 -12.215 1.00 74.11 O ATOM 539 OE2 GLU A 33 7.401 -11.991 -12.754 1.00 73.55 O ATOM 0 H GLU A 33 9.077 -8.524 -16.188 1.00 64.01 H new ATOM 0 HA GLU A 33 7.649 -10.717 -17.176 1.00 72.40 H new ATOM 0 HB2 GLU A 33 7.032 -8.837 -14.862 1.00 21.15 H new ATOM 0 HB3 GLU A 33 6.207 -10.358 -15.140 1.00 21.15 H new ATOM 0 HG2 GLU A 33 8.470 -11.511 -14.982 1.00 23.13 H new ATOM 0 HG3 GLU A 33 9.150 -9.973 -14.489 1.00 23.13 H new ATOM 546 N THR A 34 5.921 -7.871 -17.277 1.00 33.32 N ATOM 547 CA THR A 34 4.758 -7.218 -17.907 1.00 35.34 C ATOM 548 C THR A 34 4.948 -6.991 -19.418 1.00 52.54 C ATOM 549 O THR A 34 3.979 -7.002 -20.178 1.00 45.24 O ATOM 550 CB THR A 34 4.424 -5.858 -17.239 1.00 63.42 C ATOM 551 OG1 THR A 34 3.274 -5.259 -17.863 1.00 34.20 O ATOM 552 CG2 THR A 34 5.603 -4.891 -17.316 1.00 52.31 C ATOM 0 H THR A 34 6.460 -7.266 -16.658 1.00 33.32 H new ATOM 0 HA THR A 34 3.929 -7.910 -17.760 1.00 35.34 H new ATOM 0 HB THR A 34 4.208 -6.057 -16.189 1.00 63.42 H new ATOM 0 HG1 THR A 34 3.476 -4.329 -18.096 1.00 34.20 H new ATOM 0 HG21 THR A 34 5.333 -3.949 -16.838 1.00 52.31 H new ATOM 0 HG22 THR A 34 6.463 -5.324 -16.804 1.00 52.31 H new ATOM 0 HG23 THR A 34 5.856 -4.709 -18.360 1.00 52.31 H new ATOM 560 N THR A 35 6.189 -6.773 -19.850 1.00 14.24 N ATOM 561 CA THR A 35 6.475 -6.505 -21.270 1.00 41.44 C ATOM 562 C THR A 35 6.534 -7.793 -22.105 1.00 71.15 C ATOM 563 O THR A 35 5.852 -7.914 -23.126 1.00 64.10 O ATOM 564 CB THR A 35 7.804 -5.728 -21.443 1.00 22.24 C ATOM 565 OG1 THR A 35 7.707 -4.446 -20.803 1.00 52.23 O ATOM 566 CG2 THR A 35 8.156 -5.531 -22.916 1.00 21.20 C ATOM 0 H THR A 35 7.011 -6.775 -19.247 1.00 14.24 H new ATOM 0 HA THR A 35 5.649 -5.894 -21.633 1.00 41.44 H new ATOM 0 HB THR A 35 8.594 -6.319 -20.980 1.00 22.24 H new ATOM 0 HG1 THR A 35 7.979 -4.527 -19.865 1.00 52.23 H new ATOM 0 HG21 THR A 35 9.094 -4.982 -22.996 1.00 21.20 H new ATOM 0 HG22 THR A 35 8.262 -6.503 -23.398 1.00 21.20 H new ATOM 0 HG23 THR A 35 7.363 -4.967 -23.407 1.00 21.20 H new ATOM 574 N LYS A 36 7.356 -8.744 -21.668 1.00 0.31 N ATOM 575 CA LYS A 36 7.556 -10.006 -22.396 1.00 62.42 C ATOM 576 C LYS A 36 6.454 -11.033 -22.084 1.00 43.34 C ATOM 577 O LYS A 36 5.876 -11.622 -22.998 1.00 1.44 O ATOM 578 CB LYS A 36 8.931 -10.602 -22.048 1.00 12.13 C ATOM 579 CG LYS A 36 10.118 -9.781 -22.553 1.00 31.45 C ATOM 580 CD LYS A 36 10.262 -9.854 -24.075 1.00 11.11 C ATOM 581 CE LYS A 36 11.488 -9.086 -24.562 1.00 42.12 C ATOM 582 NZ LYS A 36 11.710 -9.251 -26.024 1.00 44.41 N ATOM 0 H LYS A 36 7.900 -8.669 -20.808 1.00 0.31 H new ATOM 0 HA LYS A 36 7.508 -9.779 -23.461 1.00 62.42 H new ATOM 0 HB2 LYS A 36 9.007 -10.702 -20.965 1.00 12.13 H new ATOM 0 HB3 LYS A 36 8.995 -11.607 -22.466 1.00 12.13 H new ATOM 0 HG2 LYS A 36 9.994 -8.741 -22.250 1.00 31.45 H new ATOM 0 HG3 LYS A 36 11.034 -10.142 -22.085 1.00 31.45 H new ATOM 0 HD2 LYS A 36 10.339 -10.896 -24.384 1.00 11.11 H new ATOM 0 HD3 LYS A 36 9.367 -9.447 -24.545 1.00 11.11 H new ATOM 0 HE2 LYS A 36 11.367 -8.028 -24.332 1.00 42.12 H new ATOM 0 HE3 LYS A 36 12.369 -9.431 -24.021 1.00 42.12 H new ATOM 0 HZ1 LYS A 36 11.941 -8.329 -26.446 1.00 44.41 H new ATOM 0 HZ2 LYS A 36 12.497 -9.912 -26.183 1.00 44.41 H new ATOM 0 HZ3 LYS A 36 10.847 -9.628 -26.466 1.00 44.41 H new ATOM 596 N PHE A 37 6.173 -11.240 -20.792 1.00 43.33 N ATOM 597 CA PHE A 37 5.203 -12.251 -20.346 1.00 52.42 C ATOM 598 C PHE A 37 5.612 -13.661 -20.822 1.00 34.41 C ATOM 599 O PHE A 37 4.974 -14.251 -21.698 1.00 25.15 O ATOM 600 CB PHE A 37 3.780 -11.891 -20.822 1.00 34.13 C ATOM 601 CG PHE A 37 2.684 -12.729 -20.199 1.00 73.12 C ATOM 602 CD1 PHE A 37 2.207 -12.438 -18.926 1.00 74.20 C ATOM 603 CD2 PHE A 37 2.131 -13.805 -20.883 1.00 53.12 C ATOM 604 CE1 PHE A 37 1.205 -13.199 -18.354 1.00 11.40 C ATOM 605 CE2 PHE A 37 1.130 -14.568 -20.314 1.00 71.33 C ATOM 606 CZ PHE A 37 0.666 -14.266 -19.048 1.00 30.02 C ATOM 0 H PHE A 37 6.607 -10.717 -20.031 1.00 43.33 H new ATOM 0 HA PHE A 37 5.200 -12.260 -19.256 1.00 52.42 H new ATOM 0 HB2 PHE A 37 3.590 -10.841 -20.599 1.00 34.13 H new ATOM 0 HB3 PHE A 37 3.733 -12.000 -21.906 1.00 34.13 H new ATOM 0 HD1 PHE A 37 2.625 -11.607 -18.377 1.00 74.20 H new ATOM 0 HD2 PHE A 37 2.489 -14.048 -21.873 1.00 53.12 H new ATOM 0 HE1 PHE A 37 0.843 -12.960 -17.365 1.00 11.40 H new ATOM 0 HE2 PHE A 37 0.710 -15.401 -20.859 1.00 71.33 H new ATOM 0 HZ PHE A 37 -0.116 -14.862 -18.602 1.00 30.02 H new ATOM 616 N VAL A 38 6.710 -14.170 -20.254 1.00 30.13 N ATOM 617 CA VAL A 38 7.220 -15.522 -20.551 1.00 0.12 C ATOM 618 C VAL A 38 7.479 -15.756 -22.054 1.00 32.14 C ATOM 619 O VAL A 38 6.569 -16.128 -22.800 1.00 52.34 O ATOM 620 CB VAL A 38 6.259 -16.619 -20.022 1.00 11.34 C ATOM 621 CG1 VAL A 38 6.809 -18.014 -20.322 1.00 61.02 C ATOM 622 CG2 VAL A 38 6.003 -16.438 -18.524 1.00 51.50 C ATOM 0 H VAL A 38 7.274 -13.660 -19.574 1.00 30.13 H new ATOM 0 HA VAL A 38 8.177 -15.591 -20.033 1.00 0.12 H new ATOM 0 HB VAL A 38 5.306 -16.517 -20.541 1.00 11.34 H new ATOM 0 HG11 VAL A 38 6.118 -18.767 -19.942 1.00 61.02 H new ATOM 0 HG12 VAL A 38 6.922 -18.136 -21.399 1.00 61.02 H new ATOM 0 HG13 VAL A 38 7.779 -18.134 -19.839 1.00 61.02 H new ATOM 0 HG21 VAL A 38 5.327 -17.218 -18.174 1.00 51.50 H new ATOM 0 HG22 VAL A 38 6.947 -16.506 -17.983 1.00 51.50 H new ATOM 0 HG23 VAL A 38 5.553 -15.461 -18.347 1.00 51.50 H new ATOM 632 N THR A 39 8.727 -15.545 -22.485 1.00 64.13 N ATOM 633 CA THR A 39 9.133 -15.783 -23.888 1.00 22.21 C ATOM 634 C THR A 39 10.582 -15.331 -24.162 1.00 73.11 C ATOM 635 O THR A 39 11.065 -15.429 -25.291 1.00 23.13 O ATOM 636 CB THR A 39 8.204 -15.053 -24.900 1.00 40.00 C ATOM 637 OG1 THR A 39 8.550 -15.415 -26.248 1.00 41.25 O ATOM 638 CG2 THR A 39 8.292 -13.537 -24.742 1.00 22.12 C ATOM 0 H THR A 39 9.481 -15.209 -21.886 1.00 64.13 H new ATOM 0 HA THR A 39 9.054 -16.861 -24.028 1.00 22.21 H new ATOM 0 HB THR A 39 7.181 -15.364 -24.690 1.00 40.00 H new ATOM 0 HG1 THR A 39 9.524 -15.479 -26.330 1.00 41.25 H new ATOM 0 HG21 THR A 39 7.631 -13.057 -25.464 1.00 22.12 H new ATOM 0 HG22 THR A 39 7.990 -13.258 -23.732 1.00 22.12 H new ATOM 0 HG23 THR A 39 9.318 -13.212 -24.917 1.00 22.12 H new ATOM 646 N GLU A 40 11.282 -14.862 -23.128 1.00 42.23 N ATOM 647 CA GLU A 40 12.583 -14.196 -23.304 1.00 73.11 C ATOM 648 C GLU A 40 13.740 -14.945 -22.609 1.00 31.13 C ATOM 649 O GLU A 40 13.676 -15.275 -21.412 1.00 65.43 O ATOM 650 CB GLU A 40 12.475 -12.756 -22.774 1.00 61.31 C ATOM 651 CG GLU A 40 13.785 -11.974 -22.761 1.00 5.03 C ATOM 652 CD GLU A 40 14.443 -11.894 -24.127 1.00 2.02 C ATOM 653 OE1 GLU A 40 13.938 -11.154 -24.995 1.00 33.12 O ATOM 654 OE2 GLU A 40 15.464 -12.575 -24.337 1.00 71.35 O ATOM 0 H GLU A 40 10.974 -14.929 -22.158 1.00 42.23 H new ATOM 0 HA GLU A 40 12.821 -14.194 -24.368 1.00 73.11 H new ATOM 0 HB2 GLU A 40 11.752 -12.214 -23.383 1.00 61.31 H new ATOM 0 HB3 GLU A 40 12.078 -12.787 -21.759 1.00 61.31 H new ATOM 0 HG2 GLU A 40 13.595 -10.965 -22.396 1.00 5.03 H new ATOM 0 HG3 GLU A 40 14.474 -12.443 -22.059 1.00 5.03 H new ATOM 661 N ARG A 41 14.817 -15.186 -23.364 1.00 31.14 N ATOM 662 CA ARG A 41 15.997 -15.854 -22.816 1.00 31.44 C ATOM 663 C ARG A 41 16.539 -15.077 -21.611 1.00 33.12 C ATOM 664 O ARG A 41 16.745 -15.649 -20.546 1.00 71.44 O ATOM 665 CB ARG A 41 17.093 -16.041 -23.886 1.00 32.20 C ATOM 666 CG ARG A 41 17.584 -14.744 -24.528 1.00 13.05 C ATOM 667 CD ARG A 41 18.732 -14.984 -25.501 1.00 55.24 C ATOM 668 NE ARG A 41 19.913 -15.526 -24.837 1.00 21.11 N ATOM 669 CZ ARG A 41 20.970 -15.965 -25.462 1.00 14.50 C ATOM 670 NH1 ARG A 41 21.033 -15.955 -26.755 1.00 4.42 N ATOM 671 NH2 ARG A 41 21.967 -16.417 -24.786 1.00 64.35 N ATOM 0 H ARG A 41 14.894 -14.930 -24.348 1.00 31.14 H new ATOM 0 HA ARG A 41 15.694 -16.847 -22.484 1.00 31.44 H new ATOM 0 HB2 ARG A 41 17.943 -16.550 -23.431 1.00 32.20 H new ATOM 0 HB3 ARG A 41 16.710 -16.696 -24.669 1.00 32.20 H new ATOM 0 HG2 ARG A 41 16.758 -14.265 -25.054 1.00 13.05 H new ATOM 0 HG3 ARG A 41 17.908 -14.054 -23.749 1.00 13.05 H new ATOM 0 HD2 ARG A 41 18.407 -15.673 -26.281 1.00 55.24 H new ATOM 0 HD3 ARG A 41 18.992 -14.046 -25.992 1.00 55.24 H new ATOM 0 HE ARG A 41 19.912 -15.564 -23.818 1.00 21.11 H new ATOM 0 HH11 ARG A 41 20.248 -15.600 -27.301 1.00 4.42 H new ATOM 0 HH12 ARG A 41 21.868 -16.302 -27.228 1.00 4.42 H new ATOM 0 HH21 ARG A 41 21.928 -16.431 -23.767 1.00 64.35 H new ATOM 0 HH22 ARG A 41 22.796 -16.762 -25.269 1.00 64.35 H new ATOM 685 N GLU A 42 16.710 -13.763 -21.770 1.00 25.12 N ATOM 686 CA GLU A 42 17.203 -12.908 -20.680 1.00 51.32 C ATOM 687 C GLU A 42 16.252 -12.947 -19.472 1.00 14.03 C ATOM 688 O GLU A 42 16.686 -12.865 -18.320 1.00 63.51 O ATOM 689 CB GLU A 42 17.395 -11.469 -21.183 1.00 33.31 C ATOM 690 CG GLU A 42 17.920 -10.502 -20.124 1.00 64.15 C ATOM 691 CD GLU A 42 18.333 -9.159 -20.709 1.00 3.13 C ATOM 692 OE1 GLU A 42 17.445 -8.382 -21.120 1.00 52.14 O ATOM 693 OE2 GLU A 42 19.550 -8.880 -20.777 1.00 1.33 O ATOM 0 H GLU A 42 16.516 -13.266 -22.639 1.00 25.12 H new ATOM 0 HA GLU A 42 18.168 -13.292 -20.350 1.00 51.32 H new ATOM 0 HB2 GLU A 42 18.087 -11.479 -22.025 1.00 33.31 H new ATOM 0 HB3 GLU A 42 16.442 -11.097 -21.559 1.00 33.31 H new ATOM 0 HG2 GLU A 42 17.150 -10.344 -19.369 1.00 64.15 H new ATOM 0 HG3 GLU A 42 18.775 -10.952 -19.619 1.00 64.15 H new ATOM 700 N TYR A 43 14.959 -13.114 -19.750 1.00 31.13 N ATOM 701 CA TYR A 43 13.938 -13.256 -18.702 1.00 3.14 C ATOM 702 C TYR A 43 14.283 -14.420 -17.761 1.00 40.30 C ATOM 703 O TYR A 43 14.011 -14.363 -16.564 1.00 32.54 O ATOM 704 CB TYR A 43 12.564 -13.484 -19.354 1.00 3.22 C ATOM 705 CG TYR A 43 11.386 -13.590 -18.397 1.00 51.31 C ATOM 706 CD1 TYR A 43 10.665 -12.461 -18.027 1.00 44.31 C ATOM 707 CD2 TYR A 43 10.974 -14.824 -17.892 1.00 33.44 C ATOM 708 CE1 TYR A 43 9.575 -12.555 -17.185 1.00 61.30 C ATOM 709 CE2 TYR A 43 9.886 -14.921 -17.044 1.00 53.52 C ATOM 710 CZ TYR A 43 9.189 -13.784 -16.696 1.00 51.22 C ATOM 711 OH TYR A 43 8.100 -13.875 -15.860 1.00 51.32 O ATOM 0 H TYR A 43 14.588 -13.155 -20.699 1.00 31.13 H new ATOM 0 HA TYR A 43 13.909 -12.341 -18.110 1.00 3.14 H new ATOM 0 HB2 TYR A 43 12.372 -12.665 -20.048 1.00 3.22 H new ATOM 0 HB3 TYR A 43 12.611 -14.398 -19.945 1.00 3.22 H new ATOM 0 HD1 TYR A 43 10.962 -11.494 -18.405 1.00 44.31 H new ATOM 0 HD2 TYR A 43 11.514 -15.718 -18.168 1.00 33.44 H new ATOM 0 HE1 TYR A 43 9.026 -11.667 -16.910 1.00 61.30 H new ATOM 0 HE2 TYR A 43 9.584 -15.883 -16.656 1.00 53.52 H new ATOM 0 HH TYR A 43 7.960 -14.811 -15.605 1.00 51.32 H new ATOM 721 N TYR A 44 14.876 -15.484 -18.311 1.00 3.33 N ATOM 722 CA TYR A 44 15.360 -16.601 -17.481 1.00 71.50 C ATOM 723 C TYR A 44 16.887 -16.793 -17.580 1.00 14.52 C ATOM 724 O TYR A 44 17.409 -17.838 -17.195 1.00 73.24 O ATOM 725 CB TYR A 44 14.624 -17.905 -17.837 1.00 64.51 C ATOM 726 CG TYR A 44 14.682 -18.311 -19.305 1.00 10.22 C ATOM 727 CD1 TYR A 44 15.822 -18.900 -19.850 1.00 3.01 C ATOM 728 CD2 TYR A 44 13.585 -18.123 -20.140 1.00 20.10 C ATOM 729 CE1 TYR A 44 15.864 -19.283 -21.178 1.00 31.13 C ATOM 730 CE2 TYR A 44 13.620 -18.509 -21.467 1.00 42.31 C ATOM 731 CZ TYR A 44 14.760 -19.088 -21.981 1.00 42.43 C ATOM 732 OH TYR A 44 14.794 -19.477 -23.303 1.00 25.11 O ATOM 0 H TYR A 44 15.033 -15.599 -19.312 1.00 3.33 H new ATOM 0 HA TYR A 44 15.139 -16.343 -16.445 1.00 71.50 H new ATOM 0 HB2 TYR A 44 15.043 -18.713 -17.238 1.00 64.51 H new ATOM 0 HB3 TYR A 44 13.578 -17.802 -17.547 1.00 64.51 H new ATOM 0 HD1 TYR A 44 16.687 -19.060 -19.224 1.00 3.01 H new ATOM 0 HD2 TYR A 44 12.690 -17.667 -19.744 1.00 20.10 H new ATOM 0 HE1 TYR A 44 16.758 -19.733 -21.585 1.00 31.13 H new ATOM 0 HE2 TYR A 44 12.757 -18.357 -22.099 1.00 42.31 H new ATOM 0 HH TYR A 44 13.935 -19.270 -23.727 1.00 25.11 H new ATOM 742 N GLU A 45 17.593 -15.783 -18.090 1.00 43.12 N ATOM 743 CA GLU A 45 19.063 -15.823 -18.177 1.00 40.04 C ATOM 744 C GLU A 45 19.703 -15.006 -17.035 1.00 21.01 C ATOM 745 O GLU A 45 20.786 -15.342 -16.546 1.00 3.44 O ATOM 746 CB GLU A 45 19.516 -15.294 -19.551 1.00 64.13 C ATOM 747 CG GLU A 45 20.977 -15.564 -19.892 1.00 32.41 C ATOM 748 CD GLU A 45 21.329 -15.146 -21.317 1.00 15.04 C ATOM 749 OE1 GLU A 45 21.094 -15.939 -22.251 1.00 12.15 O ATOM 750 OE2 GLU A 45 21.840 -14.020 -21.513 1.00 65.33 O ATOM 0 H GLU A 45 17.176 -14.925 -18.450 1.00 43.12 H new ATOM 0 HA GLU A 45 19.395 -16.856 -18.070 1.00 40.04 H new ATOM 0 HB2 GLU A 45 18.889 -15.743 -20.322 1.00 64.13 H new ATOM 0 HB3 GLU A 45 19.343 -14.218 -19.585 1.00 64.13 H new ATOM 0 HG2 GLU A 45 21.616 -15.028 -19.191 1.00 32.41 H new ATOM 0 HG3 GLU A 45 21.186 -16.626 -19.766 1.00 32.41 H new ATOM 757 N ASP A 46 19.029 -13.924 -16.629 1.00 53.20 N ATOM 758 CA ASP A 46 19.438 -13.129 -15.457 1.00 45.12 C ATOM 759 C ASP A 46 18.495 -13.349 -14.264 1.00 61.21 C ATOM 760 O ASP A 46 18.905 -13.232 -13.108 1.00 2.43 O ATOM 761 CB ASP A 46 19.447 -11.631 -15.790 1.00 34.23 C ATOM 762 CG ASP A 46 20.570 -11.232 -16.721 1.00 64.33 C ATOM 763 OD1 ASP A 46 20.397 -11.351 -17.946 1.00 62.34 O ATOM 764 OD2 ASP A 46 21.632 -10.776 -16.226 1.00 1.43 O ATOM 0 H ASP A 46 18.192 -13.574 -17.096 1.00 53.20 H new ATOM 0 HA ASP A 46 20.441 -13.462 -15.190 1.00 45.12 H new ATOM 0 HB2 ASP A 46 18.494 -11.361 -16.245 1.00 34.23 H new ATOM 0 HB3 ASP A 46 19.531 -11.061 -14.865 1.00 34.23 H new ATOM 769 N PHE A 47 17.230 -13.651 -14.552 1.00 42.31 N ATOM 770 CA PHE A 47 16.181 -13.659 -13.523 1.00 71.24 C ATOM 771 C PHE A 47 15.626 -15.065 -13.236 1.00 63.02 C ATOM 772 O PHE A 47 15.731 -15.979 -14.055 1.00 40.10 O ATOM 773 CB PHE A 47 15.043 -12.726 -13.948 1.00 62.20 C ATOM 774 CG PHE A 47 15.515 -11.338 -14.299 1.00 72.34 C ATOM 775 CD1 PHE A 47 15.715 -10.385 -13.310 1.00 51.45 C ATOM 776 CD2 PHE A 47 15.774 -10.991 -15.618 1.00 72.33 C ATOM 777 CE1 PHE A 47 16.162 -9.119 -13.631 1.00 2.50 C ATOM 778 CE2 PHE A 47 16.219 -9.725 -15.941 1.00 51.22 C ATOM 779 CZ PHE A 47 16.414 -8.789 -14.946 1.00 4.32 C ATOM 0 H PHE A 47 16.903 -13.894 -15.487 1.00 42.31 H new ATOM 0 HA PHE A 47 16.637 -13.309 -12.597 1.00 71.24 H new ATOM 0 HB2 PHE A 47 14.530 -13.157 -14.808 1.00 62.20 H new ATOM 0 HB3 PHE A 47 14.313 -12.662 -13.141 1.00 62.20 H new ATOM 0 HD1 PHE A 47 15.519 -10.637 -12.278 1.00 51.45 H new ATOM 0 HD2 PHE A 47 15.626 -11.720 -16.401 1.00 72.33 H new ATOM 0 HE1 PHE A 47 16.314 -8.387 -12.852 1.00 2.50 H new ATOM 0 HE2 PHE A 47 16.414 -9.467 -16.971 1.00 51.22 H new ATOM 0 HZ PHE A 47 16.764 -7.799 -15.197 1.00 4.32 H new ATOM 789 N GLY A 48 15.023 -15.213 -12.054 1.00 1.14 N ATOM 790 CA GLY A 48 14.471 -16.493 -11.629 1.00 44.45 C ATOM 791 C GLY A 48 13.891 -16.445 -10.216 1.00 23.21 C ATOM 792 O GLY A 48 13.394 -15.406 -9.779 1.00 35.12 O ATOM 0 H GLY A 48 14.907 -14.459 -11.377 1.00 1.14 H new ATOM 0 HA2 GLY A 48 13.691 -16.798 -12.327 1.00 44.45 H new ATOM 0 HA3 GLY A 48 15.251 -17.253 -11.671 1.00 44.45 H new ATOM 1115 N PRO A 71 -1.400 -16.479 -3.583 1.00 11.33 N ATOM 1116 CA PRO A 71 -1.644 -17.829 -4.104 1.00 70.44 C ATOM 1117 C PRO A 71 -2.983 -18.416 -3.613 1.00 65.23 C ATOM 1118 O PRO A 71 -3.183 -19.633 -3.617 1.00 72.42 O ATOM 1119 CB PRO A 71 -0.462 -18.602 -3.512 1.00 12.33 C ATOM 1120 CG PRO A 71 -0.226 -17.963 -2.176 1.00 12.34 C ATOM 1121 CD PRO A 71 -0.713 -16.527 -2.277 1.00 0.25 C ATOM 0 HA PRO A 71 -1.716 -17.864 -5.191 1.00 70.44 H new ATOM 0 HB2 PRO A 71 -0.693 -19.662 -3.409 1.00 12.33 H new ATOM 0 HB3 PRO A 71 0.420 -18.528 -4.149 1.00 12.33 H new ATOM 0 HG2 PRO A 71 -0.763 -18.498 -1.393 1.00 12.34 H new ATOM 0 HG3 PRO A 71 0.832 -17.994 -1.915 1.00 12.34 H new ATOM 0 HD2 PRO A 71 -1.389 -16.276 -1.460 1.00 0.25 H new ATOM 0 HD3 PRO A 71 0.115 -15.820 -2.234 1.00 0.25 H new ATOM 1129 N LYS A 72 -3.897 -17.539 -3.203 1.00 13.11 N ATOM 1130 CA LYS A 72 -5.160 -17.948 -2.576 1.00 23.33 C ATOM 1131 C LYS A 72 -6.340 -17.891 -3.565 1.00 45.12 C ATOM 1132 O LYS A 72 -6.955 -18.916 -3.874 1.00 64.15 O ATOM 1133 CB LYS A 72 -5.416 -17.048 -1.358 1.00 34.52 C ATOM 1134 CG LYS A 72 -6.778 -17.228 -0.704 1.00 23.24 C ATOM 1135 CD LYS A 72 -6.896 -16.383 0.562 1.00 54.14 C ATOM 1136 CE LYS A 72 -8.334 -16.284 1.044 1.00 22.34 C ATOM 1137 NZ LYS A 72 -9.189 -15.543 0.077 1.00 52.41 N ATOM 0 H LYS A 72 -3.788 -16.529 -3.294 1.00 13.11 H new ATOM 0 HA LYS A 72 -5.077 -18.987 -2.258 1.00 23.33 H new ATOM 0 HB2 LYS A 72 -4.643 -17.240 -0.614 1.00 34.52 H new ATOM 0 HB3 LYS A 72 -5.311 -16.007 -1.665 1.00 34.52 H new ATOM 0 HG2 LYS A 72 -7.562 -16.947 -1.407 1.00 23.24 H new ATOM 0 HG3 LYS A 72 -6.931 -18.279 -0.459 1.00 23.24 H new ATOM 0 HD2 LYS A 72 -6.279 -16.818 1.348 1.00 54.14 H new ATOM 0 HD3 LYS A 72 -6.508 -15.383 0.369 1.00 54.14 H new ATOM 0 HE2 LYS A 72 -8.737 -17.285 1.193 1.00 22.34 H new ATOM 0 HE3 LYS A 72 -8.360 -15.782 2.011 1.00 22.34 H new ATOM 0 HZ1 LYS A 72 -10.044 -15.201 0.561 1.00 52.41 H new ATOM 0 HZ2 LYS A 72 -8.660 -14.734 -0.305 1.00 52.41 H new ATOM 0 HZ3 LYS A 72 -9.462 -16.177 -0.701 1.00 52.41 H new ATOM 1151 N LEU A 73 -6.652 -16.696 -4.058 1.00 53.13 N ATOM 1152 CA LEU A 73 -7.745 -16.508 -5.022 1.00 32.02 C ATOM 1153 C LEU A 73 -7.246 -16.717 -6.464 1.00 62.23 C ATOM 1154 O LEU A 73 -8.030 -17.023 -7.365 1.00 25.12 O ATOM 1155 CB LEU A 73 -8.351 -15.098 -4.842 1.00 2.43 C ATOM 1156 CG LEU A 73 -9.703 -14.822 -5.544 1.00 44.45 C ATOM 1157 CD1 LEU A 73 -10.468 -13.717 -4.815 1.00 42.22 C ATOM 1158 CD2 LEU A 73 -9.505 -14.433 -7.011 1.00 21.51 C ATOM 0 H LEU A 73 -6.164 -15.836 -3.808 1.00 53.13 H new ATOM 0 HA LEU A 73 -8.519 -17.252 -4.834 1.00 32.02 H new ATOM 0 HB2 LEU A 73 -8.480 -14.918 -3.775 1.00 2.43 H new ATOM 0 HB3 LEU A 73 -7.626 -14.369 -5.203 1.00 2.43 H new ATOM 0 HG LEU A 73 -10.283 -15.744 -5.511 1.00 44.45 H new ATOM 0 HD11 LEU A 73 -11.416 -13.536 -5.322 1.00 42.22 H new ATOM 0 HD12 LEU A 73 -10.659 -14.024 -3.787 1.00 42.22 H new ATOM 0 HD13 LEU A 73 -9.875 -12.802 -4.816 1.00 42.22 H new ATOM 0 HD21 LEU A 73 -10.475 -14.247 -7.472 1.00 21.51 H new ATOM 0 HD22 LEU A 73 -8.896 -13.531 -7.069 1.00 21.51 H new ATOM 0 HD23 LEU A 73 -9.003 -15.244 -7.538 1.00 21.51 H new ATOM 1170 N LEU A 74 -5.933 -16.580 -6.660 1.00 1.31 N ATOM 1171 CA LEU A 74 -5.306 -16.711 -7.986 1.00 51.21 C ATOM 1172 C LEU A 74 -5.709 -18.041 -8.673 1.00 74.23 C ATOM 1173 O LEU A 74 -5.399 -19.126 -8.174 1.00 44.32 O ATOM 1174 CB LEU A 74 -3.773 -16.618 -7.823 1.00 64.15 C ATOM 1175 CG LEU A 74 -2.944 -16.283 -9.086 1.00 31.42 C ATOM 1176 CD1 LEU A 74 -2.894 -17.450 -10.067 1.00 70.15 C ATOM 1177 CD2 LEU A 74 -3.482 -15.029 -9.774 1.00 74.20 C ATOM 0 H LEU A 74 -5.273 -16.376 -5.910 1.00 1.31 H new ATOM 0 HA LEU A 74 -5.656 -15.903 -8.628 1.00 51.21 H new ATOM 0 HB2 LEU A 74 -3.559 -15.861 -7.069 1.00 64.15 H new ATOM 0 HB3 LEU A 74 -3.417 -17.570 -7.429 1.00 64.15 H new ATOM 0 HG LEU A 74 -1.923 -16.091 -8.755 1.00 31.42 H new ATOM 0 HD11 LEU A 74 -2.302 -17.168 -10.938 1.00 70.15 H new ATOM 0 HD12 LEU A 74 -2.439 -18.314 -9.582 1.00 70.15 H new ATOM 0 HD13 LEU A 74 -3.906 -17.703 -10.383 1.00 70.15 H new ATOM 0 HD21 LEU A 74 -2.883 -14.814 -10.659 1.00 74.20 H new ATOM 0 HD22 LEU A 74 -4.519 -15.192 -10.068 1.00 74.20 H new ATOM 0 HD23 LEU A 74 -3.429 -14.185 -9.086 1.00 74.20 H new ATOM 1189 N PRO A 75 -6.416 -17.963 -9.827 1.00 51.14 N ATOM 1190 CA PRO A 75 -6.903 -19.153 -10.566 1.00 12.55 C ATOM 1191 C PRO A 75 -5.776 -20.059 -11.102 1.00 43.00 C ATOM 1192 O PRO A 75 -4.630 -19.635 -11.255 1.00 24.34 O ATOM 1193 CB PRO A 75 -7.711 -18.546 -11.727 1.00 2.34 C ATOM 1194 CG PRO A 75 -7.172 -17.165 -11.883 1.00 71.11 C ATOM 1195 CD PRO A 75 -6.810 -16.709 -10.498 1.00 30.21 C ATOM 0 HA PRO A 75 -7.479 -19.810 -9.915 1.00 12.55 H new ATOM 0 HB2 PRO A 75 -7.586 -19.125 -12.642 1.00 2.34 H new ATOM 0 HB3 PRO A 75 -8.777 -18.532 -11.502 1.00 2.34 H new ATOM 0 HG2 PRO A 75 -6.301 -17.157 -12.538 1.00 71.11 H new ATOM 0 HG3 PRO A 75 -7.914 -16.504 -12.331 1.00 71.11 H new ATOM 0 HD2 PRO A 75 -5.995 -15.985 -10.512 1.00 30.21 H new ATOM 0 HD3 PRO A 75 -7.652 -16.231 -9.998 1.00 30.21 H new ATOM 1203 N TYR A 76 -6.119 -21.311 -11.402 1.00 60.53 N ATOM 1204 CA TYR A 76 -5.126 -22.302 -11.827 1.00 3.34 C ATOM 1205 C TYR A 76 -4.764 -22.175 -13.317 1.00 55.45 C ATOM 1206 O TYR A 76 -5.495 -22.644 -14.192 1.00 24.41 O ATOM 1207 CB TYR A 76 -5.631 -23.721 -11.537 1.00 40.31 C ATOM 1208 CG TYR A 76 -6.008 -23.952 -10.085 1.00 62.11 C ATOM 1209 CD1 TYR A 76 -5.034 -24.032 -9.094 1.00 75.42 C ATOM 1210 CD2 TYR A 76 -7.339 -24.086 -9.706 1.00 71.33 C ATOM 1211 CE1 TYR A 76 -5.377 -24.236 -7.771 1.00 21.10 C ATOM 1212 CE2 TYR A 76 -7.689 -24.292 -8.386 1.00 1.31 C ATOM 1213 CZ TYR A 76 -6.706 -24.365 -7.422 1.00 2.40 C ATOM 1214 OH TYR A 76 -7.053 -24.562 -6.101 1.00 70.43 O ATOM 0 H TYR A 76 -7.075 -21.665 -11.359 1.00 60.53 H new ATOM 0 HA TYR A 76 -4.221 -22.107 -11.253 1.00 3.34 H new ATOM 0 HB2 TYR A 76 -6.499 -23.923 -12.165 1.00 40.31 H new ATOM 0 HB3 TYR A 76 -4.859 -24.436 -11.821 1.00 40.31 H new ATOM 0 HD1 TYR A 76 -3.993 -23.933 -9.363 1.00 75.42 H new ATOM 0 HD2 TYR A 76 -8.113 -24.028 -10.457 1.00 71.33 H new ATOM 0 HE1 TYR A 76 -4.609 -24.294 -7.014 1.00 21.10 H new ATOM 0 HE2 TYR A 76 -8.728 -24.395 -8.110 1.00 1.31 H new ATOM 0 HH TYR A 76 -8.028 -24.631 -6.026 1.00 70.43 H new ATOM 1224 N ASP A 77 -3.644 -21.513 -13.590 1.00 21.52 N ATOM 1225 CA ASP A 77 -3.048 -21.486 -14.932 1.00 32.41 C ATOM 1226 C ASP A 77 -1.653 -22.146 -14.896 1.00 43.55 C ATOM 1227 O ASP A 77 -0.750 -21.659 -14.223 1.00 41.20 O ATOM 1228 CB ASP A 77 -2.944 -20.043 -15.454 1.00 62.41 C ATOM 1229 CG ASP A 77 -4.302 -19.379 -15.638 1.00 13.20 C ATOM 1230 OD1 ASP A 77 -4.961 -19.630 -16.672 1.00 75.42 O ATOM 1231 OD2 ASP A 77 -4.713 -18.584 -14.765 1.00 50.53 O ATOM 0 H ASP A 77 -3.122 -20.981 -12.894 1.00 21.52 H new ATOM 0 HA ASP A 77 -3.691 -22.046 -15.611 1.00 32.41 H new ATOM 0 HB2 ASP A 77 -2.348 -19.453 -14.758 1.00 62.41 H new ATOM 0 HB3 ASP A 77 -2.414 -20.044 -16.406 1.00 62.41 H new ATOM 1236 N LYS A 78 -1.494 -23.256 -15.620 1.00 54.33 N ATOM 1237 CA LYS A 78 -0.265 -24.075 -15.571 1.00 73.53 C ATOM 1238 C LYS A 78 1.040 -23.272 -15.763 1.00 11.44 C ATOM 1239 O LYS A 78 1.756 -23.001 -14.796 1.00 13.32 O ATOM 1240 CB LYS A 78 -0.348 -25.211 -16.604 1.00 35.23 C ATOM 1241 CG LYS A 78 -1.170 -26.408 -16.130 1.00 31.33 C ATOM 1242 CD LYS A 78 -0.471 -27.149 -14.991 1.00 65.22 C ATOM 1243 CE LYS A 78 -1.284 -28.340 -14.493 1.00 54.22 C ATOM 1244 NZ LYS A 78 -2.547 -27.922 -13.825 1.00 40.21 N ATOM 0 H LYS A 78 -2.205 -23.617 -16.256 1.00 54.33 H new ATOM 0 HA LYS A 78 -0.216 -24.483 -14.562 1.00 73.53 H new ATOM 0 HB2 LYS A 78 -0.784 -24.823 -17.525 1.00 35.23 H new ATOM 0 HB3 LYS A 78 0.661 -25.546 -16.845 1.00 35.23 H new ATOM 0 HG2 LYS A 78 -2.151 -26.069 -15.797 1.00 31.33 H new ATOM 0 HG3 LYS A 78 -1.335 -27.091 -16.963 1.00 31.33 H new ATOM 0 HD2 LYS A 78 0.506 -27.494 -15.330 1.00 65.22 H new ATOM 0 HD3 LYS A 78 -0.296 -26.460 -14.165 1.00 65.22 H new ATOM 0 HE2 LYS A 78 -1.519 -28.993 -15.333 1.00 54.22 H new ATOM 0 HE3 LYS A 78 -0.682 -28.922 -13.795 1.00 54.22 H new ATOM 0 HZ1 LYS A 78 -3.023 -28.757 -13.429 1.00 40.21 H new ATOM 0 HZ2 LYS A 78 -2.330 -27.252 -13.060 1.00 40.21 H new ATOM 0 HZ3 LYS A 78 -3.172 -27.464 -14.519 1.00 40.21 H new ATOM 1258 N ARG A 79 1.356 -22.898 -17.003 1.00 5.22 N ATOM 1259 CA ARG A 79 2.639 -22.240 -17.301 1.00 35.31 C ATOM 1260 C ARG A 79 2.764 -20.874 -16.612 1.00 52.53 C ATOM 1261 O ARG A 79 3.858 -20.473 -16.202 1.00 73.10 O ATOM 1262 CB ARG A 79 2.841 -22.099 -18.818 1.00 52.55 C ATOM 1263 CG ARG A 79 3.096 -23.430 -19.520 1.00 42.02 C ATOM 1264 CD ARG A 79 3.486 -23.241 -20.982 1.00 32.42 C ATOM 1265 NE ARG A 79 3.939 -24.489 -21.589 1.00 64.34 N ATOM 1266 CZ ARG A 79 4.868 -24.567 -22.502 1.00 32.43 C ATOM 1267 NH1 ARG A 79 5.414 -23.496 -22.990 1.00 41.34 N ATOM 1268 NH2 ARG A 79 5.237 -25.724 -22.944 1.00 41.43 N ATOM 0 H ARG A 79 0.752 -23.035 -17.813 1.00 5.22 H new ATOM 0 HA ARG A 79 3.426 -22.879 -16.900 1.00 35.31 H new ATOM 0 HB2 ARG A 79 1.958 -21.630 -19.253 1.00 52.55 H new ATOM 0 HB3 ARG A 79 3.682 -21.431 -19.005 1.00 52.55 H new ATOM 0 HG2 ARG A 79 3.889 -23.968 -19.000 1.00 42.02 H new ATOM 0 HG3 ARG A 79 2.200 -24.048 -19.461 1.00 42.02 H new ATOM 0 HD2 ARG A 79 2.632 -22.855 -21.539 1.00 32.42 H new ATOM 0 HD3 ARG A 79 4.277 -22.494 -21.053 1.00 32.42 H new ATOM 0 HE ARG A 79 3.501 -25.356 -21.279 1.00 64.34 H new ATOM 0 HH11 ARG A 79 5.118 -22.577 -22.660 1.00 41.34 H new ATOM 0 HH12 ARG A 79 6.139 -23.573 -23.703 1.00 41.34 H new ATOM 0 HH21 ARG A 79 4.802 -26.572 -22.579 1.00 41.43 H new ATOM 0 HH22 ARG A 79 5.963 -25.790 -23.658 1.00 41.43 H new ATOM 1282 N LEU A 80 1.646 -20.166 -16.483 1.00 31.33 N ATOM 1283 CA LEU A 80 1.621 -18.893 -15.758 1.00 11.32 C ATOM 1284 C LEU A 80 2.081 -19.113 -14.306 1.00 23.42 C ATOM 1285 O LEU A 80 2.960 -18.410 -13.806 1.00 52.54 O ATOM 1286 CB LEU A 80 0.203 -18.283 -15.808 1.00 42.42 C ATOM 1287 CG LEU A 80 0.064 -16.814 -15.342 1.00 42.32 C ATOM 1288 CD1 LEU A 80 -1.242 -16.211 -15.862 1.00 45.51 C ATOM 1289 CD2 LEU A 80 0.122 -16.702 -13.816 1.00 5.12 C ATOM 0 H LEU A 80 0.745 -20.449 -16.869 1.00 31.33 H new ATOM 0 HA LEU A 80 2.307 -18.191 -16.232 1.00 11.32 H new ATOM 0 HB2 LEU A 80 -0.161 -18.351 -16.833 1.00 42.42 H new ATOM 0 HB3 LEU A 80 -0.455 -18.899 -15.194 1.00 42.42 H new ATOM 0 HG LEU A 80 0.905 -16.256 -15.754 1.00 42.32 H new ATOM 0 HD11 LEU A 80 -1.325 -15.178 -15.526 1.00 45.51 H new ATOM 0 HD12 LEU A 80 -1.247 -16.240 -16.952 1.00 45.51 H new ATOM 0 HD13 LEU A 80 -2.086 -16.786 -15.480 1.00 45.51 H new ATOM 0 HD21 LEU A 80 0.021 -15.657 -13.524 1.00 5.12 H new ATOM 0 HD22 LEU A 80 -0.691 -17.281 -13.378 1.00 5.12 H new ATOM 0 HD23 LEU A 80 1.077 -17.088 -13.459 1.00 5.12 H new ATOM 1301 N ALA A 81 1.498 -20.115 -13.650 1.00 74.10 N ATOM 1302 CA ALA A 81 1.861 -20.463 -12.275 1.00 53.04 C ATOM 1303 C ALA A 81 3.332 -20.886 -12.170 1.00 53.13 C ATOM 1304 O ALA A 81 4.064 -20.369 -11.335 1.00 60.40 O ATOM 1305 CB ALA A 81 0.957 -21.572 -11.748 1.00 3.31 C ATOM 0 H ALA A 81 0.768 -20.704 -14.051 1.00 74.10 H new ATOM 0 HA ALA A 81 1.724 -19.571 -11.663 1.00 53.04 H new ATOM 0 HB1 ALA A 81 1.241 -21.818 -10.725 1.00 3.31 H new ATOM 0 HB2 ALA A 81 -0.080 -21.236 -11.766 1.00 3.31 H new ATOM 0 HB3 ALA A 81 1.062 -22.457 -12.376 1.00 3.31 H new ATOM 1311 N TRP A 82 3.756 -21.823 -13.026 1.00 45.34 N ATOM 1312 CA TRP A 82 5.154 -22.289 -13.052 1.00 64.32 C ATOM 1313 C TRP A 82 6.137 -21.113 -12.982 1.00 21.43 C ATOM 1314 O TRP A 82 6.928 -21.001 -12.051 1.00 12.20 O ATOM 1315 CB TRP A 82 5.418 -23.104 -14.335 1.00 73.53 C ATOM 1316 CG TRP A 82 6.844 -23.588 -14.496 1.00 32.45 C ATOM 1317 CD1 TRP A 82 7.955 -22.827 -14.753 1.00 70.42 C ATOM 1318 CD2 TRP A 82 7.303 -24.945 -14.438 1.00 14.54 C ATOM 1319 NE1 TRP A 82 9.070 -23.622 -14.844 1.00 44.25 N ATOM 1320 CE2 TRP A 82 8.698 -24.927 -14.651 1.00 64.31 C ATOM 1321 CE3 TRP A 82 6.673 -26.173 -14.214 1.00 30.43 C ATOM 1322 CZ2 TRP A 82 9.464 -26.091 -14.658 1.00 71.31 C ATOM 1323 CZ3 TRP A 82 7.436 -27.325 -14.219 1.00 21.30 C ATOM 1324 CH2 TRP A 82 8.819 -27.276 -14.436 1.00 34.24 C ATOM 0 H TRP A 82 3.153 -22.276 -13.712 1.00 45.34 H new ATOM 0 HA TRP A 82 5.310 -22.920 -12.177 1.00 64.32 H new ATOM 0 HB2 TRP A 82 4.753 -23.967 -14.344 1.00 73.53 H new ATOM 0 HB3 TRP A 82 5.157 -22.492 -15.198 1.00 73.53 H new ATOM 0 HD1 TRP A 82 7.953 -21.753 -14.868 1.00 70.42 H new ATOM 0 HE1 TRP A 82 10.019 -23.295 -15.025 1.00 44.25 H new ATOM 0 HE3 TRP A 82 5.608 -26.220 -14.040 1.00 30.43 H new ATOM 0 HZ2 TRP A 82 10.529 -26.058 -14.833 1.00 71.31 H new ATOM 0 HZ3 TRP A 82 6.958 -28.279 -14.053 1.00 21.30 H new ATOM 0 HH2 TRP A 82 9.388 -28.194 -14.428 1.00 34.24 H new ATOM 1335 N HIS A 83 6.059 -20.224 -13.966 1.00 10.33 N ATOM 1336 CA HIS A 83 7.039 -19.146 -14.103 1.00 61.33 C ATOM 1337 C HIS A 83 6.875 -18.068 -13.017 1.00 62.22 C ATOM 1338 O HIS A 83 7.845 -17.686 -12.364 1.00 22.02 O ATOM 1339 CB HIS A 83 6.939 -18.542 -15.506 1.00 75.13 C ATOM 1340 CG HIS A 83 7.139 -19.561 -16.592 1.00 50.42 C ATOM 1341 ND1 HIS A 83 8.271 -20.344 -16.689 1.00 43.40 N ATOM 1342 CD2 HIS A 83 6.341 -19.941 -17.620 1.00 45.14 C ATOM 1343 CE1 HIS A 83 8.160 -21.154 -17.725 1.00 54.05 C ATOM 1344 NE2 HIS A 83 7.003 -20.931 -18.305 1.00 45.50 N ATOM 0 H HIS A 83 5.331 -20.226 -14.680 1.00 10.33 H new ATOM 0 HA HIS A 83 8.034 -19.570 -13.964 1.00 61.33 H new ATOM 0 HB2 HIS A 83 5.962 -18.075 -15.627 1.00 75.13 H new ATOM 0 HB3 HIS A 83 7.684 -17.754 -15.612 1.00 75.13 H new ATOM 0 HD2 HIS A 83 5.366 -19.540 -17.856 1.00 45.14 H new ATOM 0 HE1 HIS A 83 8.896 -21.878 -18.042 1.00 54.05 H new ATOM 0 HE2 HIS A 83 6.652 -21.415 -19.131 1.00 45.50 H new ATOM 1353 N PHE A 84 5.648 -17.600 -12.809 1.00 45.42 N ATOM 1354 CA PHE A 84 5.385 -16.549 -11.816 1.00 71.13 C ATOM 1355 C PHE A 84 5.703 -17.023 -10.385 1.00 14.14 C ATOM 1356 O PHE A 84 6.193 -16.246 -9.561 1.00 64.10 O ATOM 1357 CB PHE A 84 3.931 -16.060 -11.917 1.00 45.13 C ATOM 1358 CG PHE A 84 3.647 -15.222 -13.151 1.00 3.03 C ATOM 1359 CD1 PHE A 84 4.151 -15.581 -14.397 1.00 23.42 C ATOM 1360 CD2 PHE A 84 2.871 -14.073 -13.061 1.00 53.13 C ATOM 1361 CE1 PHE A 84 3.889 -14.815 -15.516 1.00 4.22 C ATOM 1362 CE2 PHE A 84 2.608 -13.306 -14.181 1.00 11.33 C ATOM 1363 CZ PHE A 84 3.118 -13.677 -15.408 1.00 24.22 C ATOM 0 H PHE A 84 4.821 -17.926 -13.309 1.00 45.42 H new ATOM 0 HA PHE A 84 6.049 -15.714 -12.038 1.00 71.13 H new ATOM 0 HB2 PHE A 84 3.267 -16.924 -11.916 1.00 45.13 H new ATOM 0 HB3 PHE A 84 3.693 -15.474 -11.029 1.00 45.13 H new ATOM 0 HD1 PHE A 84 4.756 -16.471 -14.491 1.00 23.42 H new ATOM 0 HD2 PHE A 84 2.468 -13.775 -12.104 1.00 53.13 H new ATOM 0 HE1 PHE A 84 4.288 -15.107 -16.476 1.00 4.22 H new ATOM 0 HE2 PHE A 84 2.003 -12.416 -14.095 1.00 11.33 H new ATOM 0 HZ PHE A 84 2.914 -13.077 -16.282 1.00 24.22 H new ATOM 1373 N LYS A 85 5.425 -18.296 -10.088 1.00 73.43 N ATOM 1374 CA LYS A 85 5.827 -18.883 -8.805 1.00 52.53 C ATOM 1375 C LYS A 85 7.351 -19.016 -8.727 1.00 71.41 C ATOM 1376 O LYS A 85 7.970 -18.517 -7.787 1.00 61.23 O ATOM 1377 CB LYS A 85 5.152 -20.246 -8.555 1.00 73.03 C ATOM 1378 CG LYS A 85 3.637 -20.154 -8.368 1.00 4.14 C ATOM 1379 CD LYS A 85 3.018 -21.491 -7.955 1.00 54.20 C ATOM 1380 CE LYS A 85 3.486 -21.934 -6.569 1.00 32.03 C ATOM 1381 NZ LYS A 85 2.857 -23.216 -6.150 1.00 72.31 N ATOM 0 H LYS A 85 4.929 -18.934 -10.710 1.00 73.43 H new ATOM 0 HA LYS A 85 5.491 -18.205 -8.020 1.00 52.53 H new ATOM 0 HB2 LYS A 85 5.367 -20.908 -9.394 1.00 73.03 H new ATOM 0 HB3 LYS A 85 5.592 -20.703 -7.669 1.00 73.03 H new ATOM 0 HG2 LYS A 85 3.412 -19.403 -7.611 1.00 4.14 H new ATOM 0 HG3 LYS A 85 3.179 -19.816 -9.298 1.00 4.14 H new ATOM 0 HD2 LYS A 85 1.931 -21.405 -7.960 1.00 54.20 H new ATOM 0 HD3 LYS A 85 3.281 -22.254 -8.688 1.00 54.20 H new ATOM 0 HE2 LYS A 85 4.570 -22.046 -6.571 1.00 32.03 H new ATOM 0 HE3 LYS A 85 3.247 -21.159 -5.841 1.00 32.03 H new ATOM 0 HZ1 LYS A 85 3.202 -23.479 -5.205 1.00 72.31 H new ATOM 0 HZ2 LYS A 85 1.824 -23.103 -6.122 1.00 72.31 H new ATOM 0 HZ3 LYS A 85 3.105 -23.963 -6.830 1.00 72.31 H new ATOM 1395 N GLU A 86 7.953 -19.656 -9.734 1.00 12.45 N ATOM 1396 CA GLU A 86 9.419 -19.773 -9.823 1.00 13.10 C ATOM 1397 C GLU A 86 10.105 -18.406 -10.023 1.00 41.15 C ATOM 1398 O GLU A 86 11.318 -18.342 -10.188 1.00 43.54 O ATOM 1399 CB GLU A 86 9.832 -20.740 -10.957 1.00 52.11 C ATOM 1400 CG GLU A 86 9.950 -22.207 -10.531 1.00 41.11 C ATOM 1401 CD GLU A 86 8.617 -22.874 -10.206 1.00 71.10 C ATOM 1402 OE1 GLU A 86 8.052 -22.603 -9.126 1.00 64.03 O ATOM 1403 OE2 GLU A 86 8.145 -23.703 -11.013 1.00 44.54 O ATOM 0 H GLU A 86 7.451 -20.103 -10.501 1.00 12.45 H new ATOM 0 HA GLU A 86 9.756 -20.178 -8.869 1.00 13.10 H new ATOM 0 HB2 GLU A 86 9.102 -20.667 -11.763 1.00 52.11 H new ATOM 0 HB3 GLU A 86 10.790 -20.415 -11.363 1.00 52.11 H new ATOM 0 HG2 GLU A 86 10.439 -22.767 -11.328 1.00 41.11 H new ATOM 0 HG3 GLU A 86 10.597 -22.268 -9.656 1.00 41.11 H new ATOM 1410 N PHE A 87 9.326 -17.328 -10.048 1.00 40.24 N ATOM 1411 CA PHE A 87 9.881 -15.968 -10.017 1.00 23.43 C ATOM 1412 C PHE A 87 9.725 -15.319 -8.625 1.00 61.11 C ATOM 1413 O PHE A 87 10.692 -15.190 -7.869 1.00 51.22 O ATOM 1414 CB PHE A 87 9.205 -15.092 -11.090 1.00 61.53 C ATOM 1415 CG PHE A 87 10.137 -14.644 -12.186 1.00 52.03 C ATOM 1416 CD1 PHE A 87 10.623 -15.552 -13.116 1.00 63.23 C ATOM 1417 CD2 PHE A 87 10.533 -13.318 -12.281 1.00 1.22 C ATOM 1418 CE1 PHE A 87 11.480 -15.143 -14.118 1.00 3.13 C ATOM 1419 CE2 PHE A 87 11.389 -12.906 -13.283 1.00 4.34 C ATOM 1420 CZ PHE A 87 11.863 -13.820 -14.202 1.00 74.41 C ATOM 0 H PHE A 87 8.308 -17.365 -10.090 1.00 40.24 H new ATOM 0 HA PHE A 87 10.947 -16.041 -10.231 1.00 23.43 H new ATOM 0 HB2 PHE A 87 8.380 -15.649 -11.533 1.00 61.53 H new ATOM 0 HB3 PHE A 87 8.775 -14.213 -10.610 1.00 61.53 H new ATOM 0 HD1 PHE A 87 10.328 -16.589 -13.055 1.00 63.23 H new ATOM 0 HD2 PHE A 87 10.167 -12.599 -11.563 1.00 1.22 H new ATOM 0 HE1 PHE A 87 11.851 -15.859 -14.837 1.00 3.13 H new ATOM 0 HE2 PHE A 87 11.687 -11.870 -13.347 1.00 4.34 H new ATOM 0 HZ PHE A 87 12.533 -13.500 -14.986 1.00 74.41 H new ATOM 1430 N CYS A 88 8.492 -14.932 -8.289 1.00 14.01 N ATOM 1431 CA CYS A 88 8.218 -14.157 -7.065 1.00 1.03 C ATOM 1432 C CYS A 88 7.844 -15.038 -5.858 1.00 5.22 C ATOM 1433 O CYS A 88 8.140 -14.689 -4.718 1.00 3.02 O ATOM 1434 CB CYS A 88 7.088 -13.150 -7.335 1.00 33.24 C ATOM 1435 SG CYS A 88 6.490 -12.269 -5.870 1.00 33.20 S ATOM 0 H CYS A 88 7.663 -15.141 -8.845 1.00 14.01 H new ATOM 0 HA CYS A 88 9.142 -13.641 -6.806 1.00 1.03 H new ATOM 0 HB2 CYS A 88 7.438 -12.419 -8.064 1.00 33.24 H new ATOM 0 HB3 CYS A 88 6.251 -13.678 -7.791 1.00 33.24 H new ATOM 0 HG CYS A 88 6.886 -12.890 -4.799 1.00 33.20 H new ATOM 1441 N TYR A 89 7.214 -16.190 -6.103 1.00 4.15 N ATOM 1442 CA TYR A 89 6.657 -17.004 -5.007 1.00 60.33 C ATOM 1443 C TYR A 89 7.733 -17.858 -4.319 1.00 25.24 C ATOM 1444 O TYR A 89 7.801 -17.930 -3.094 1.00 33.12 O ATOM 1445 CB TYR A 89 5.533 -17.927 -5.521 1.00 42.01 C ATOM 1446 CG TYR A 89 4.301 -17.213 -6.068 1.00 4.01 C ATOM 1447 CD1 TYR A 89 4.414 -16.116 -6.914 1.00 12.33 C ATOM 1448 CD2 TYR A 89 3.019 -17.660 -5.753 1.00 33.50 C ATOM 1449 CE1 TYR A 89 3.296 -15.485 -7.425 1.00 43.04 C ATOM 1450 CE2 TYR A 89 1.896 -17.031 -6.259 1.00 55.42 C ATOM 1451 CZ TYR A 89 2.039 -15.944 -7.093 1.00 32.21 C ATOM 1452 OH TYR A 89 0.925 -15.316 -7.604 1.00 1.33 O ATOM 0 H TYR A 89 7.075 -16.580 -7.035 1.00 4.15 H new ATOM 0 HA TYR A 89 6.251 -16.304 -4.276 1.00 60.33 H new ATOM 0 HB2 TYR A 89 5.940 -18.566 -6.305 1.00 42.01 H new ATOM 0 HB3 TYR A 89 5.222 -18.581 -4.706 1.00 42.01 H new ATOM 0 HD1 TYR A 89 5.395 -15.750 -7.177 1.00 12.33 H new ATOM 0 HD2 TYR A 89 2.900 -18.513 -5.102 1.00 33.50 H new ATOM 0 HE1 TYR A 89 3.406 -14.635 -8.082 1.00 43.04 H new ATOM 0 HE2 TYR A 89 0.911 -17.391 -6.001 1.00 55.42 H new ATOM 0 HH TYR A 89 0.117 -15.763 -7.274 1.00 1.33 H new ATOM 1462 N LYS A 90 8.572 -18.501 -5.118 1.00 4.43 N ATOM 1463 CA LYS A 90 9.525 -19.494 -4.617 1.00 11.23 C ATOM 1464 C LYS A 90 10.790 -18.838 -4.044 1.00 23.41 C ATOM 1465 O LYS A 90 11.659 -18.380 -4.784 1.00 24.04 O ATOM 1466 CB LYS A 90 9.866 -20.474 -5.749 1.00 63.02 C ATOM 1467 CG LYS A 90 10.671 -21.698 -5.312 1.00 33.23 C ATOM 1468 CD LYS A 90 10.427 -22.883 -6.249 1.00 64.14 C ATOM 1469 CE LYS A 90 8.970 -23.344 -6.191 1.00 54.21 C ATOM 1470 NZ LYS A 90 8.657 -24.382 -7.210 1.00 42.23 N ATOM 0 H LYS A 90 8.616 -18.354 -6.126 1.00 4.43 H new ATOM 0 HA LYS A 90 9.064 -20.039 -3.793 1.00 11.23 H new ATOM 0 HB2 LYS A 90 8.938 -20.812 -6.211 1.00 63.02 H new ATOM 0 HB3 LYS A 90 10.428 -19.941 -6.516 1.00 63.02 H new ATOM 0 HG2 LYS A 90 11.733 -21.453 -5.300 1.00 33.23 H new ATOM 0 HG3 LYS A 90 10.396 -21.973 -4.294 1.00 33.23 H new ATOM 0 HD2 LYS A 90 10.681 -22.600 -7.271 1.00 64.14 H new ATOM 0 HD3 LYS A 90 11.083 -23.709 -5.974 1.00 64.14 H new ATOM 0 HE2 LYS A 90 8.757 -23.739 -5.198 1.00 54.21 H new ATOM 0 HE3 LYS A 90 8.315 -22.485 -6.339 1.00 54.21 H new ATOM 0 HZ1 LYS A 90 8.034 -25.102 -6.792 1.00 42.23 H new ATOM 0 HZ2 LYS A 90 8.180 -23.939 -8.021 1.00 42.23 H new ATOM 0 HZ3 LYS A 90 9.539 -24.831 -7.530 1.00 42.23 H new ATOM 1484 N THR A 91 10.880 -18.794 -2.712 1.00 2.01 N ATOM 1485 CA THR A 91 12.032 -18.183 -2.025 1.00 52.31 C ATOM 1486 C THR A 91 13.240 -19.129 -1.946 1.00 4.51 C ATOM 1487 O THR A 91 14.345 -18.707 -1.597 1.00 51.10 O ATOM 1488 CB THR A 91 11.660 -17.721 -0.595 1.00 51.11 C ATOM 1489 OG1 THR A 91 11.146 -18.824 0.171 1.00 32.11 O ATOM 1490 CG2 THR A 91 10.626 -16.599 -0.636 1.00 51.34 C ATOM 0 H THR A 91 10.171 -19.173 -2.084 1.00 2.01 H new ATOM 0 HA THR A 91 12.311 -17.318 -2.627 1.00 52.31 H new ATOM 0 HB THR A 91 12.565 -17.345 -0.119 1.00 51.11 H new ATOM 0 HG1 THR A 91 10.917 -18.517 1.073 1.00 32.11 H new ATOM 0 HG21 THR A 91 10.381 -16.292 0.381 1.00 51.34 H new ATOM 0 HG22 THR A 91 11.033 -15.749 -1.183 1.00 51.34 H new ATOM 0 HG23 THR A 91 9.724 -16.954 -1.135 1.00 51.34 H new ATOM 1498 N SER A 92 13.031 -20.409 -2.260 1.00 34.41 N ATOM 1499 CA SER A 92 14.135 -21.386 -2.300 1.00 2.23 C ATOM 1500 C SER A 92 15.108 -21.072 -3.442 1.00 62.41 C ATOM 1501 O SER A 92 14.879 -21.467 -4.584 1.00 15.35 O ATOM 1502 CB SER A 92 13.595 -22.815 -2.478 1.00 42.14 C ATOM 1503 OG SER A 92 14.648 -23.740 -2.724 1.00 72.44 O ATOM 0 H SER A 92 12.116 -20.797 -2.490 1.00 34.41 H new ATOM 0 HA SER A 92 14.665 -21.316 -1.350 1.00 2.23 H new ATOM 0 HB2 SER A 92 13.048 -23.113 -1.584 1.00 42.14 H new ATOM 0 HB3 SER A 92 12.887 -22.838 -3.307 1.00 42.14 H new ATOM 0 HG SER A 92 14.275 -24.640 -2.831 1.00 72.44 H new ATOM 1509 N ALA A 93 16.193 -20.367 -3.129 1.00 64.32 N ATOM 1510 CA ALA A 93 17.169 -19.955 -4.144 1.00 2.41 C ATOM 1511 C ALA A 93 18.559 -20.537 -3.874 1.00 72.13 C ATOM 1512 O ALA A 93 19.251 -20.110 -2.948 1.00 0.42 O ATOM 1513 CB ALA A 93 17.243 -18.435 -4.214 1.00 25.33 C ATOM 0 H ALA A 93 16.421 -20.067 -2.181 1.00 64.32 H new ATOM 0 HA ALA A 93 16.829 -20.348 -5.102 1.00 2.41 H new ATOM 0 HB1 ALA A 93 17.970 -18.141 -4.971 1.00 25.33 H new ATOM 0 HB2 ALA A 93 16.264 -18.035 -4.477 1.00 25.33 H new ATOM 0 HB3 ALA A 93 17.548 -18.041 -3.245 1.00 25.33 H new