USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 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 64 MET CE :methyl -167:sc= -2.15 (180deg=-2) USER MOD Set 1.2: A 73 SER OG : rot 73:sc= 1.2 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -159:sc= 1.07 (180deg=0.772) USER MOD Set 2.2: A 85 THR OG1 : rot -93:sc= 0.0211 USER MOD Set 3.1: A 15 ASN : amide:sc= 0.0407 K(o=-0.15,f=-2.6) USER MOD Set 3.2: A 25 MET CE :methyl 136:sc= -0.188 (180deg=-1.89!) USER MOD Single : A 18 CYS SG : rot -106:sc= -4.84! USER MOD Single : A 22 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.63) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= -0.0123 (180deg=-0.125) USER MOD Single : A 38 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.14) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.7) USER MOD Single : A 50 THR OG1 : rot -8:sc= 1.05 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.997 USER MOD Single : A 59 CYS SG : rot 29:sc= -0.475 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.0398 (180deg=-0.283) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0454) USER MOD Single : A 83 ASN : amide:sc= -0.0628 K(o=-0.063,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ -125:sc= 0.497 (180deg=0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 15 -5.542 6.042 5.135 1.00 0.92 N ATOM 2 CA ASN A 15 -6.406 5.133 5.922 1.00 0.85 C ATOM 3 C ASN A 15 -7.850 5.636 5.938 1.00 0.80 C ATOM 4 O ASN A 15 -8.778 4.865 6.191 1.00 0.75 O ATOM 5 CB ASN A 15 -5.882 5.014 7.356 1.00 0.93 C ATOM 6 CG ASN A 15 -6.580 3.924 8.147 1.00 1.63 C ATOM 7 OD1 ASN A 15 -6.985 2.901 7.598 1.00 2.49 O ATOM 8 ND2 ASN A 15 -6.716 4.135 9.446 1.00 1.95 N ATOM 0 HA ASN A 15 -6.385 4.151 5.450 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -4.812 4.810 7.331 1.00 0.93 H new ATOM 0 HB3 ASN A 15 -6.013 5.968 7.867 1.00 0.93 H new ATOM 0 HD21 ASN A 15 -7.171 3.435 10.032 1.00 1.95 H new ATOM 0 HD22 ASN A 15 -6.366 4.998 9.862 1.00 1.95 H new ATOM 17 N ASP A 16 -8.047 6.921 5.641 1.00 0.85 N ATOM 18 CA ASP A 16 -9.375 7.533 5.717 1.00 0.87 C ATOM 19 C ASP A 16 -10.348 6.866 4.759 1.00 0.75 C ATOM 20 O ASP A 16 -11.483 6.573 5.124 1.00 0.74 O ATOM 21 CB ASP A 16 -9.319 9.027 5.395 1.00 1.00 C ATOM 22 CG ASP A 16 -8.711 9.856 6.504 1.00 1.63 C ATOM 23 OD1 ASP A 16 -9.389 10.066 7.531 1.00 1.81 O ATOM 24 OD2 ASP A 16 -7.562 10.322 6.342 1.00 2.46 O ATOM 0 H ASP A 16 -7.306 7.557 5.346 1.00 0.85 H new ATOM 0 HA ASP A 16 -9.723 7.395 6.741 1.00 0.87 H new ATOM 0 HB2 ASP A 16 -8.741 9.173 4.483 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -10.328 9.386 5.194 1.00 1.00 H new ATOM 29 N ILE A 17 -9.891 6.624 3.539 1.00 0.70 N ATOM 30 CA ILE A 17 -10.745 6.063 2.501 1.00 0.64 C ATOM 31 C ILE A 17 -11.200 4.655 2.874 1.00 0.57 C ATOM 32 O ILE A 17 -12.366 4.302 2.700 1.00 0.57 O ATOM 33 CB ILE A 17 -10.053 6.042 1.115 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.822 7.466 0.598 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.891 5.264 0.111 1.00 0.65 C ATOM 36 CD1 ILE A 17 -8.768 8.242 1.352 1.00 0.80 C ATOM 0 H ILE A 17 -8.932 6.807 3.243 1.00 0.70 H new ATOM 0 HA ILE A 17 -11.615 6.715 2.427 1.00 0.64 H new ATOM 0 HB ILE A 17 -9.087 5.550 1.232 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.536 7.416 -0.453 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -10.763 8.014 0.647 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -10.389 5.260 -0.857 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -11.016 4.239 0.459 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.869 5.735 0.011 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -8.670 9.238 0.919 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -9.059 8.328 2.399 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -7.813 7.721 1.283 1.00 0.80 H new ATOM 48 N CYS A 18 -10.284 3.868 3.424 1.00 0.55 N ATOM 49 CA CYS A 18 -10.589 2.499 3.817 1.00 0.51 C ATOM 50 C CYS A 18 -11.555 2.504 4.996 1.00 0.53 C ATOM 51 O CYS A 18 -12.502 1.717 5.054 1.00 0.51 O ATOM 52 CB CYS A 18 -9.297 1.763 4.186 1.00 0.52 C ATOM 53 SG CYS A 18 -9.496 -0.013 4.454 1.00 1.35 S ATOM 0 H CYS A 18 -9.323 4.155 3.608 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.059 1.980 2.982 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.566 1.918 3.392 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -8.885 2.210 5.091 1.00 0.52 H new ATOM 0 HG CYS A 18 -9.429 -0.270 5.727 1.00 1.35 H new ATOM 59 N LEU A 19 -11.308 3.420 5.921 1.00 0.58 N ATOM 60 CA LEU A 19 -12.152 3.590 7.094 1.00 0.63 C ATOM 61 C LEU A 19 -13.559 3.986 6.676 1.00 0.63 C ATOM 62 O LEU A 19 -14.549 3.400 7.120 1.00 0.63 O ATOM 63 CB LEU A 19 -11.565 4.678 7.984 1.00 0.72 C ATOM 64 CG LEU A 19 -12.258 4.875 9.335 1.00 0.83 C ATOM 65 CD1 LEU A 19 -12.090 3.644 10.212 1.00 1.14 C ATOM 66 CD2 LEU A 19 -11.710 6.110 10.030 1.00 1.16 C ATOM 0 H LEU A 19 -10.519 4.065 5.880 1.00 0.58 H new ATOM 0 HA LEU A 19 -12.196 2.648 7.640 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -10.515 4.447 8.165 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -11.594 5.622 7.440 1.00 0.72 H new ATOM 0 HG LEU A 19 -13.324 5.020 9.160 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -12.590 3.806 11.167 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -12.530 2.780 9.714 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -11.029 3.462 10.385 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -12.210 6.240 10.990 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -10.639 5.991 10.193 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -11.887 6.987 9.407 1.00 1.16 H new ATOM 78 N ARG A 20 -13.625 4.996 5.825 1.00 0.64 N ATOM 79 CA ARG A 20 -14.885 5.525 5.310 1.00 0.65 C ATOM 80 C ARG A 20 -15.674 4.460 4.548 1.00 0.58 C ATOM 81 O ARG A 20 -16.904 4.406 4.629 1.00 0.60 O ATOM 82 CB ARG A 20 -14.572 6.710 4.393 1.00 0.69 C ATOM 83 CG ARG A 20 -15.785 7.465 3.884 1.00 0.82 C ATOM 84 CD ARG A 20 -15.356 8.640 3.021 1.00 1.37 C ATOM 85 NE ARG A 20 -16.487 9.412 2.514 1.00 2.06 N ATOM 86 CZ ARG A 20 -16.356 10.538 1.810 1.00 2.90 C ATOM 87 NH1 ARG A 20 -15.148 11.024 1.548 1.00 3.23 N ATOM 88 NH2 ARG A 20 -17.430 11.178 1.368 1.00 3.84 N ATOM 0 H ARG A 20 -12.801 5.479 5.467 1.00 0.64 H new ATOM 0 HA ARG A 20 -15.505 5.845 6.148 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -13.929 7.406 4.931 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -14.003 6.347 3.537 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -16.422 6.795 3.306 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -16.378 7.822 4.726 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -14.707 9.294 3.603 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -14.767 8.272 2.181 1.00 1.37 H new ATOM 0 HE ARG A 20 -17.429 9.072 2.709 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -14.318 10.536 1.885 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -15.050 11.885 1.010 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -18.360 10.810 1.566 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -17.326 12.038 0.830 1.00 3.84 H new ATOM 102 N LYS A 21 -14.962 3.604 3.822 1.00 0.51 N ATOM 103 CA LYS A 21 -15.575 2.526 3.046 1.00 0.46 C ATOM 104 C LYS A 21 -16.080 1.406 3.943 1.00 0.45 C ATOM 105 O LYS A 21 -16.679 0.433 3.480 1.00 0.44 O ATOM 106 CB LYS A 21 -14.554 1.964 2.067 1.00 0.41 C ATOM 107 CG LYS A 21 -14.515 2.685 0.741 1.00 0.52 C ATOM 108 CD LYS A 21 -15.830 2.520 0.013 1.00 0.72 C ATOM 109 CE LYS A 21 -15.747 3.062 -1.401 1.00 0.72 C ATOM 110 NZ LYS A 21 -17.009 2.867 -2.164 1.00 1.10 N ATOM 0 H LYS A 21 -13.945 3.636 3.754 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.428 2.941 2.509 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.565 2.009 2.523 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -14.776 0.911 1.891 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -14.311 3.744 0.901 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -13.702 2.293 0.130 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.103 1.465 -0.015 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -16.618 3.039 0.558 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -15.509 4.125 -1.365 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -14.929 2.570 -1.927 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -16.809 2.914 -3.184 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -17.414 1.937 -1.933 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.687 3.613 -1.909 1.00 1.10 H new ATOM 124 N ASN A 22 -15.818 1.574 5.223 1.00 0.48 N ATOM 125 CA ASN A 22 -16.212 0.628 6.262 1.00 0.50 C ATOM 126 C ASN A 22 -15.489 -0.705 6.079 1.00 0.42 C ATOM 127 O ASN A 22 -16.077 -1.782 6.186 1.00 0.49 O ATOM 128 CB ASN A 22 -17.737 0.441 6.277 1.00 0.59 C ATOM 129 CG ASN A 22 -18.236 -0.302 7.507 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.423 -1.518 7.488 1.00 1.55 O ATOM 131 ND2 ASN A 22 -18.452 0.428 8.589 1.00 1.92 N ATOM 0 H ASN A 22 -15.316 2.386 5.583 1.00 0.48 H new ATOM 0 HA ASN A 22 -15.919 1.035 7.230 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.217 1.418 6.231 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.039 -0.105 5.383 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -18.785 -0.015 9.445 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -18.286 1.434 8.567 1.00 1.92 H new ATOM 138 N TRP A 23 -14.202 -0.625 5.792 1.00 0.35 N ATOM 139 CA TRP A 23 -13.367 -1.810 5.715 1.00 0.29 C ATOM 140 C TRP A 23 -12.486 -1.890 6.954 1.00 0.34 C ATOM 141 O TRP A 23 -12.328 -0.899 7.670 1.00 0.40 O ATOM 142 CB TRP A 23 -12.470 -1.776 4.476 1.00 0.26 C ATOM 143 CG TRP A 23 -13.190 -1.690 3.169 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.365 -2.286 2.815 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.738 -0.977 2.024 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.675 -1.969 1.508 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.685 -1.164 1.003 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.621 -0.189 1.771 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.536 -0.583 -0.259 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.474 0.380 0.531 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.425 0.183 -0.473 1.00 0.31 C ATOM 0 H TRP A 23 -13.712 0.250 5.608 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.020 -2.680 5.652 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -11.797 -0.923 4.558 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -11.850 -2.672 4.472 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -14.963 -2.912 3.461 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.503 -2.281 1.001 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -10.880 -0.027 2.539 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.271 -0.734 -1.036 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.607 0.991 0.328 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.279 0.646 -1.438 1.00 0.31 H new ATOM 162 N PRO A 24 -11.915 -3.066 7.236 1.00 0.34 N ATOM 163 CA PRO A 24 -10.906 -3.207 8.282 1.00 0.40 C ATOM 164 C PRO A 24 -9.617 -2.484 7.892 1.00 0.39 C ATOM 165 O PRO A 24 -9.544 -1.870 6.828 1.00 0.41 O ATOM 166 CB PRO A 24 -10.687 -4.716 8.381 1.00 0.43 C ATOM 167 CG PRO A 24 -11.139 -5.265 7.073 1.00 0.44 C ATOM 168 CD PRO A 24 -12.216 -4.345 6.570 1.00 0.34 C ATOM 0 HA PRO A 24 -11.215 -2.769 9.231 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.638 -4.950 8.565 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.258 -5.143 9.205 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.310 -5.314 6.366 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.520 -6.280 7.189 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -12.187 -4.249 5.485 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.209 -4.709 6.831 1.00 0.34 H new ATOM 176 N MET A 25 -8.601 -2.546 8.736 1.00 0.47 N ATOM 177 CA MET A 25 -7.359 -1.848 8.459 1.00 0.47 C ATOM 178 C MET A 25 -6.513 -2.661 7.485 1.00 0.38 C ATOM 179 O MET A 25 -6.278 -3.850 7.707 1.00 0.44 O ATOM 180 CB MET A 25 -6.607 -1.608 9.763 1.00 0.61 C ATOM 181 CG MET A 25 -7.448 -0.928 10.839 1.00 0.70 C ATOM 182 SD MET A 25 -7.705 0.846 10.564 1.00 0.90 S ATOM 183 CE MET A 25 -9.122 0.865 9.460 1.00 1.00 C ATOM 0 H MET A 25 -8.612 -3.068 9.612 1.00 0.47 H new ATOM 0 HA MET A 25 -7.576 -0.883 8.000 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.247 -2.563 10.145 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.729 -0.995 9.559 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.419 -1.421 10.892 1.00 0.70 H new ATOM 0 HG3 MET A 25 -6.965 -1.069 11.806 1.00 0.70 H new ATOM 0 HE1 MET A 25 -9.826 1.631 9.785 1.00 1.00 H new ATOM 0 HE2 MET A 25 -8.790 1.084 8.445 1.00 1.00 H new ATOM 0 HE3 MET A 25 -9.611 -0.109 9.479 1.00 1.00 H new ATOM 193 N PRO A 26 -6.060 -2.031 6.386 1.00 0.32 N ATOM 194 CA PRO A 26 -5.334 -2.721 5.312 1.00 0.25 C ATOM 195 C PRO A 26 -4.001 -3.312 5.762 1.00 0.23 C ATOM 196 O PRO A 26 -3.491 -3.003 6.842 1.00 0.27 O ATOM 197 CB PRO A 26 -5.070 -1.629 4.275 1.00 0.30 C ATOM 198 CG PRO A 26 -5.983 -0.505 4.624 1.00 0.46 C ATOM 199 CD PRO A 26 -6.220 -0.593 6.102 1.00 0.44 C ATOM 0 HA PRO A 26 -5.918 -3.564 4.944 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -4.028 -1.309 4.302 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.266 -1.993 3.266 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.537 0.454 4.359 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -6.922 -0.583 4.075 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.504 0.010 6.661 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.215 -0.238 6.372 1.00 0.44 H new ATOM 207 N SER A 27 -3.441 -4.145 4.901 1.00 0.20 N ATOM 208 CA SER A 27 -2.165 -4.788 5.159 1.00 0.20 C ATOM 209 C SER A 27 -1.025 -3.883 4.707 1.00 0.17 C ATOM 210 O SER A 27 -1.116 -3.241 3.659 1.00 0.17 O ATOM 211 CB SER A 27 -2.102 -6.119 4.415 1.00 0.25 C ATOM 212 OG SER A 27 -0.986 -6.893 4.819 1.00 0.30 O ATOM 0 H SER A 27 -3.858 -4.394 4.004 1.00 0.20 H new ATOM 0 HA SER A 27 -2.065 -4.971 6.229 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.019 -6.680 4.595 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.047 -5.934 3.342 1.00 0.25 H new ATOM 0 HG SER A 27 -0.978 -7.739 4.324 1.00 0.30 H new ATOM 218 N TYR A 28 0.042 -3.846 5.493 1.00 0.17 N ATOM 219 CA TYR A 28 1.188 -2.998 5.202 1.00 0.17 C ATOM 220 C TYR A 28 2.469 -3.698 5.650 1.00 0.20 C ATOM 221 O TYR A 28 2.698 -3.861 6.850 1.00 0.25 O ATOM 222 CB TYR A 28 1.073 -1.644 5.919 1.00 0.20 C ATOM 223 CG TYR A 28 0.066 -0.687 5.311 1.00 0.19 C ATOM 224 CD1 TYR A 28 0.443 0.207 4.316 1.00 0.22 C ATOM 225 CD2 TYR A 28 -1.254 -0.668 5.740 1.00 0.20 C ATOM 226 CE1 TYR A 28 -0.463 1.090 3.766 1.00 0.25 C ATOM 227 CE2 TYR A 28 -2.168 0.210 5.191 1.00 0.23 C ATOM 228 CZ TYR A 28 -1.768 1.087 4.206 1.00 0.25 C ATOM 229 OH TYR A 28 -2.678 1.962 3.658 1.00 0.30 O ATOM 0 H TYR A 28 0.137 -4.399 6.345 1.00 0.17 H new ATOM 0 HA TYR A 28 1.214 -2.819 4.127 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.802 -1.822 6.960 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.052 -1.166 5.922 1.00 0.20 H new ATOM 0 HD1 TYR A 28 1.465 0.211 3.967 1.00 0.22 H new ATOM 0 HD2 TYR A 28 -1.571 -1.350 6.515 1.00 0.20 H new ATOM 0 HE1 TYR A 28 -0.151 1.779 2.995 1.00 0.25 H new ATOM 0 HE2 TYR A 28 -3.193 0.209 5.532 1.00 0.23 H new ATOM 0 HH TYR A 28 -3.553 1.830 4.078 1.00 0.30 H new ATOM 239 N ARG A 29 3.305 -4.116 4.701 1.00 0.23 N ATOM 240 CA ARG A 29 4.548 -4.801 5.030 1.00 0.33 C ATOM 241 C ARG A 29 5.534 -4.700 3.868 1.00 0.24 C ATOM 242 O ARG A 29 5.178 -4.968 2.719 1.00 0.22 O ATOM 243 CB ARG A 29 4.274 -6.270 5.360 1.00 0.50 C ATOM 244 CG ARG A 29 5.496 -7.022 5.859 1.00 1.34 C ATOM 245 CD ARG A 29 5.137 -8.421 6.329 1.00 1.55 C ATOM 246 NE ARG A 29 6.314 -9.168 6.762 1.00 2.13 N ATOM 247 CZ ARG A 29 6.269 -10.318 7.432 1.00 2.75 C ATOM 248 NH1 ARG A 29 5.101 -10.864 7.757 1.00 2.84 N ATOM 249 NH2 ARG A 29 7.395 -10.923 7.777 1.00 3.69 N ATOM 0 H ARG A 29 3.142 -3.992 3.702 1.00 0.23 H new ATOM 0 HA ARG A 29 4.987 -4.320 5.905 1.00 0.33 H new ATOM 0 HB2 ARG A 29 3.491 -6.323 6.117 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.891 -6.768 4.469 1.00 0.50 H new ATOM 0 HG2 ARG A 29 6.237 -7.084 5.062 1.00 1.34 H new ATOM 0 HG3 ARG A 29 5.955 -6.469 6.678 1.00 1.34 H new ATOM 0 HD2 ARG A 29 4.425 -8.356 7.152 1.00 1.55 H new ATOM 0 HD3 ARG A 29 4.642 -8.960 5.521 1.00 1.55 H new ATOM 0 HE ARG A 29 7.232 -8.784 6.536 1.00 2.13 H new ATOM 0 HH11 ARG A 29 4.231 -10.402 7.493 1.00 2.84 H new ATOM 0 HH12 ARG A 29 5.075 -11.745 8.270 1.00 2.84 H new ATOM 0 HH21 ARG A 29 8.293 -10.508 7.530 1.00 3.69 H new ATOM 0 HH22 ARG A 29 7.364 -11.804 8.290 1.00 3.69 H new ATOM 263 N CYS A 30 6.762 -4.298 4.171 1.00 0.31 N ATOM 264 CA CYS A 30 7.792 -4.141 3.155 1.00 0.31 C ATOM 265 C CYS A 30 8.128 -5.479 2.517 1.00 0.27 C ATOM 266 O CYS A 30 8.483 -6.435 3.208 1.00 0.30 O ATOM 267 CB CYS A 30 9.051 -3.521 3.768 1.00 0.45 C ATOM 268 SG CYS A 30 8.777 -1.907 4.537 1.00 1.53 S ATOM 0 H CYS A 30 7.069 -4.074 5.118 1.00 0.31 H new ATOM 0 HA CYS A 30 7.409 -3.476 2.381 1.00 0.31 H new ATOM 0 HB2 CYS A 30 9.453 -4.205 4.516 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.808 -3.418 2.991 1.00 0.45 H new ATOM 0 HG CYS A 30 9.896 -1.465 5.028 1.00 1.53 H new ATOM 274 N VAL A 31 8.018 -5.539 1.197 1.00 0.26 N ATOM 275 CA VAL A 31 8.276 -6.770 0.468 1.00 0.28 C ATOM 276 C VAL A 31 9.764 -6.942 0.233 1.00 0.27 C ATOM 277 O VAL A 31 10.280 -8.059 0.198 1.00 0.32 O ATOM 278 CB VAL A 31 7.531 -6.816 -0.882 1.00 0.34 C ATOM 279 CG1 VAL A 31 6.032 -6.816 -0.659 1.00 1.15 C ATOM 280 CG2 VAL A 31 7.925 -5.658 -1.784 1.00 1.15 C ATOM 0 H VAL A 31 7.752 -4.748 0.610 1.00 0.26 H new ATOM 0 HA VAL A 31 7.903 -7.589 1.083 1.00 0.28 H new ATOM 0 HB VAL A 31 7.819 -7.740 -1.383 1.00 0.34 H new ATOM 0 HG11 VAL A 31 5.521 -6.849 -1.621 1.00 1.15 H new ATOM 0 HG12 VAL A 31 5.752 -7.689 -0.070 1.00 1.15 H new ATOM 0 HG13 VAL A 31 5.744 -5.910 -0.126 1.00 1.15 H new ATOM 0 HG21 VAL A 31 7.378 -5.727 -2.724 1.00 1.15 H new ATOM 0 HG22 VAL A 31 7.684 -4.716 -1.292 1.00 1.15 H new ATOM 0 HG23 VAL A 31 8.996 -5.700 -1.983 1.00 1.15 H new ATOM 290 N LYS A 32 10.447 -5.826 0.069 1.00 0.24 N ATOM 291 CA LYS A 32 11.895 -5.814 -0.046 1.00 0.26 C ATOM 292 C LYS A 32 12.462 -4.678 0.796 1.00 0.31 C ATOM 293 O LYS A 32 12.080 -3.518 0.621 1.00 0.31 O ATOM 294 CB LYS A 32 12.313 -5.616 -1.503 1.00 0.30 C ATOM 295 CG LYS A 32 13.806 -5.782 -1.736 1.00 0.61 C ATOM 296 CD LYS A 32 14.182 -5.498 -3.180 1.00 1.14 C ATOM 297 CE LYS A 32 15.683 -5.615 -3.397 1.00 1.37 C ATOM 298 NZ LYS A 32 16.181 -6.991 -3.143 1.00 2.25 N ATOM 0 H LYS A 32 10.016 -4.903 0.012 1.00 0.24 H new ATOM 0 HA LYS A 32 12.282 -6.769 0.308 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.775 -6.330 -2.127 1.00 0.30 H new ATOM 0 HB3 LYS A 32 12.012 -4.620 -1.826 1.00 0.30 H new ATOM 0 HG2 LYS A 32 14.355 -5.109 -1.077 1.00 0.61 H new ATOM 0 HG3 LYS A 32 14.105 -6.797 -1.475 1.00 0.61 H new ATOM 0 HD2 LYS A 32 13.663 -6.196 -3.837 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.850 -4.496 -3.453 1.00 1.14 H new ATOM 0 HE2 LYS A 32 15.924 -5.326 -4.420 1.00 1.37 H new ATOM 0 HE3 LYS A 32 16.199 -4.916 -2.739 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 17.162 -7.073 -3.479 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 16.146 -7.190 -2.123 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 15.584 -7.675 -3.650 1.00 2.25 H new ATOM 312 N GLU A 33 13.362 -5.015 1.702 1.00 0.52 N ATOM 313 CA GLU A 33 13.998 -4.029 2.564 1.00 0.65 C ATOM 314 C GLU A 33 15.419 -4.471 2.887 1.00 0.98 C ATOM 315 O GLU A 33 15.640 -5.598 3.335 1.00 1.39 O ATOM 316 CB GLU A 33 13.166 -3.855 3.846 1.00 1.01 C ATOM 317 CG GLU A 33 13.554 -2.662 4.718 1.00 1.34 C ATOM 318 CD GLU A 33 14.758 -2.922 5.604 1.00 1.80 C ATOM 319 OE1 GLU A 33 14.639 -3.720 6.557 1.00 1.99 O ATOM 320 OE2 GLU A 33 15.820 -2.314 5.373 1.00 2.60 O ATOM 0 H GLU A 33 13.673 -5.973 1.862 1.00 0.52 H new ATOM 0 HA GLU A 33 14.048 -3.067 2.054 1.00 0.65 H new ATOM 0 HB2 GLU A 33 12.117 -3.755 3.568 1.00 1.01 H new ATOM 0 HB3 GLU A 33 13.253 -4.763 4.442 1.00 1.01 H new ATOM 0 HG2 GLU A 33 13.764 -1.807 4.076 1.00 1.34 H new ATOM 0 HG3 GLU A 33 12.705 -2.389 5.344 1.00 1.34 H new ATOM 327 N GLY A 34 16.378 -3.587 2.649 1.00 1.02 N ATOM 328 CA GLY A 34 17.766 -3.910 2.907 1.00 1.52 C ATOM 329 C GLY A 34 18.359 -4.799 1.833 1.00 1.29 C ATOM 330 O GLY A 34 17.691 -5.130 0.853 1.00 1.69 O ATOM 0 H GLY A 34 16.218 -2.649 2.281 1.00 1.02 H new ATOM 0 HA2 GLY A 34 18.345 -2.989 2.973 1.00 1.52 H new ATOM 0 HA3 GLY A 34 17.847 -4.408 3.873 1.00 1.52 H new ATOM 334 N GLY A 35 19.611 -5.179 2.013 1.00 1.53 N ATOM 335 CA GLY A 35 20.264 -6.046 1.057 1.00 1.64 C ATOM 336 C GLY A 35 21.772 -5.920 1.116 1.00 1.92 C ATOM 337 O GLY A 35 22.331 -5.656 2.183 1.00 2.13 O ATOM 0 H GLY A 35 20.190 -4.902 2.806 1.00 1.53 H new ATOM 0 HA2 GLY A 35 19.979 -7.080 1.251 1.00 1.64 H new ATOM 0 HA3 GLY A 35 19.919 -5.803 0.052 1.00 1.64 H new ATOM 341 N PRO A 36 22.463 -6.113 -0.015 1.00 2.06 N ATOM 342 CA PRO A 36 23.924 -5.999 -0.099 1.00 2.40 C ATOM 343 C PRO A 36 24.406 -4.547 -0.051 1.00 2.43 C ATOM 344 O PRO A 36 25.066 -4.079 -0.980 1.00 3.00 O ATOM 345 CB PRO A 36 24.264 -6.628 -1.463 1.00 2.51 C ATOM 346 CG PRO A 36 22.999 -7.258 -1.947 1.00 2.43 C ATOM 347 CD PRO A 36 21.883 -6.493 -1.306 1.00 2.06 C ATOM 0 HA PRO A 36 24.411 -6.489 0.745 1.00 2.40 H new ATOM 0 HB2 PRO A 36 24.618 -5.873 -2.165 1.00 2.51 H new ATOM 0 HB3 PRO A 36 25.057 -7.369 -1.365 1.00 2.51 H new ATOM 0 HG2 PRO A 36 22.931 -7.210 -3.034 1.00 2.43 H new ATOM 0 HG3 PRO A 36 22.958 -8.312 -1.671 1.00 2.43 H new ATOM 0 HD2 PRO A 36 21.597 -5.622 -1.895 1.00 2.06 H new ATOM 0 HD3 PRO A 36 20.988 -7.104 -1.185 1.00 2.06 H new ATOM 355 N ALA A 37 24.044 -3.846 1.031 1.00 2.18 N ATOM 356 CA ALA A 37 24.475 -2.465 1.293 1.00 2.20 C ATOM 357 C ALA A 37 23.833 -1.459 0.332 1.00 1.91 C ATOM 358 O ALA A 37 23.119 -0.554 0.758 1.00 1.86 O ATOM 359 CB ALA A 37 25.995 -2.350 1.262 1.00 2.61 C ATOM 0 H ALA A 37 23.437 -4.225 1.758 1.00 2.18 H new ATOM 0 HA ALA A 37 24.129 -2.213 2.296 1.00 2.20 H new ATOM 0 HB1 ALA A 37 26.286 -1.318 1.459 1.00 2.61 H new ATOM 0 HB2 ALA A 37 26.425 -3.000 2.024 1.00 2.61 H new ATOM 0 HB3 ALA A 37 26.363 -2.650 0.281 1.00 2.61 H new ATOM 365 N HIS A 38 24.070 -1.635 -0.963 1.00 1.80 N ATOM 366 CA HIS A 38 23.564 -0.713 -1.982 1.00 1.61 C ATOM 367 C HIS A 38 22.088 -0.969 -2.291 1.00 1.37 C ATOM 368 O HIS A 38 21.576 -0.535 -3.321 1.00 1.39 O ATOM 369 CB HIS A 38 24.398 -0.825 -3.271 1.00 1.69 C ATOM 370 CG HIS A 38 24.411 -2.197 -3.890 1.00 1.73 C ATOM 371 ND1 HIS A 38 25.483 -3.057 -3.788 1.00 2.01 N ATOM 372 CD2 HIS A 38 23.478 -2.855 -4.622 1.00 1.66 C ATOM 373 CE1 HIS A 38 25.212 -4.179 -4.429 1.00 2.10 C ATOM 374 NE2 HIS A 38 24.002 -4.082 -4.943 1.00 1.91 N ATOM 0 H HIS A 38 24.613 -2.413 -1.337 1.00 1.80 H new ATOM 0 HA HIS A 38 23.654 0.297 -1.583 1.00 1.61 H new ATOM 0 HB2 HIS A 38 24.011 -0.115 -4.002 1.00 1.69 H new ATOM 0 HB3 HIS A 38 25.424 -0.530 -3.051 1.00 1.69 H new ATOM 0 HD2 HIS A 38 22.503 -2.482 -4.901 1.00 1.66 H new ATOM 0 HE1 HIS A 38 25.870 -5.031 -4.517 1.00 2.10 H new ATOM 0 HE2 HIS A 38 23.531 -4.802 -5.491 1.00 1.91 H new ATOM 383 N ALA A 39 21.409 -1.666 -1.398 1.00 1.26 N ATOM 384 CA ALA A 39 20.018 -2.023 -1.612 1.00 1.12 C ATOM 385 C ALA A 39 19.159 -1.578 -0.438 1.00 0.93 C ATOM 386 O ALA A 39 18.237 -2.279 -0.028 1.00 1.07 O ATOM 387 CB ALA A 39 19.890 -3.520 -1.834 1.00 1.28 C ATOM 0 H ALA A 39 21.799 -1.997 -0.516 1.00 1.26 H new ATOM 0 HA ALA A 39 19.661 -1.507 -2.504 1.00 1.12 H new ATOM 0 HB1 ALA A 39 18.843 -3.776 -1.993 1.00 1.28 H new ATOM 0 HB2 ALA A 39 20.471 -3.809 -2.710 1.00 1.28 H new ATOM 0 HB3 ALA A 39 20.264 -4.051 -0.959 1.00 1.28 H new ATOM 393 N LYS A 40 19.455 -0.400 0.093 1.00 0.78 N ATOM 394 CA LYS A 40 18.707 0.135 1.223 1.00 0.61 C ATOM 395 C LYS A 40 17.501 0.930 0.728 1.00 0.43 C ATOM 396 O LYS A 40 16.963 1.782 1.429 1.00 0.39 O ATOM 397 CB LYS A 40 19.593 0.997 2.121 1.00 0.71 C ATOM 398 CG LYS A 40 19.088 1.121 3.552 1.00 0.90 C ATOM 399 CD LYS A 40 18.966 -0.234 4.230 1.00 0.86 C ATOM 400 CE LYS A 40 18.468 -0.090 5.657 1.00 1.03 C ATOM 401 NZ LYS A 40 18.129 -1.400 6.265 1.00 1.93 N ATOM 0 H LYS A 40 20.207 0.203 -0.240 1.00 0.78 H new ATOM 0 HA LYS A 40 18.352 -0.704 1.822 1.00 0.61 H new ATOM 0 HB2 LYS A 40 20.598 0.575 2.136 1.00 0.71 H new ATOM 0 HB3 LYS A 40 19.673 1.994 1.687 1.00 0.71 H new ATOM 0 HG2 LYS A 40 19.768 1.753 4.123 1.00 0.90 H new ATOM 0 HG3 LYS A 40 18.117 1.616 3.553 1.00 0.90 H new ATOM 0 HD2 LYS A 40 18.281 -0.866 3.665 1.00 0.86 H new ATOM 0 HD3 LYS A 40 19.935 -0.733 4.229 1.00 0.86 H new ATOM 0 HE2 LYS A 40 19.232 0.402 6.259 1.00 1.03 H new ATOM 0 HE3 LYS A 40 17.588 0.554 5.670 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 17.794 -1.254 7.239 1.00 1.93 H new ATOM 0 HZ2 LYS A 40 17.382 -1.859 5.706 1.00 1.93 H new ATOM 0 HZ3 LYS A 40 18.974 -2.006 6.277 1.00 1.93 H new ATOM 415 N ARG A 41 17.129 0.695 -0.518 1.00 0.39 N ATOM 416 CA ARG A 41 15.875 1.219 -1.026 1.00 0.33 C ATOM 417 C ARG A 41 14.782 0.234 -0.662 1.00 0.28 C ATOM 418 O ARG A 41 14.972 -0.977 -0.766 1.00 0.36 O ATOM 419 CB ARG A 41 15.904 1.424 -2.538 1.00 0.39 C ATOM 420 CG ARG A 41 17.137 2.153 -3.037 1.00 1.16 C ATOM 421 CD ARG A 41 17.035 2.455 -4.521 1.00 1.48 C ATOM 422 NE ARG A 41 16.838 1.246 -5.320 1.00 2.15 N ATOM 423 CZ ARG A 41 16.586 1.252 -6.627 1.00 2.71 C ATOM 424 NH1 ARG A 41 16.520 2.401 -7.291 1.00 2.69 N ATOM 425 NH2 ARG A 41 16.405 0.105 -7.270 1.00 3.64 N ATOM 0 H ARG A 41 17.671 0.151 -1.190 1.00 0.39 H new ATOM 0 HA ARG A 41 15.694 2.197 -0.579 1.00 0.33 H new ATOM 0 HB2 ARG A 41 15.846 0.452 -3.028 1.00 0.39 H new ATOM 0 HB3 ARG A 41 15.018 1.984 -2.836 1.00 0.39 H new ATOM 0 HG2 ARG A 41 17.262 3.083 -2.482 1.00 1.16 H new ATOM 0 HG3 ARG A 41 18.023 1.547 -2.847 1.00 1.16 H new ATOM 0 HD2 ARG A 41 16.206 3.141 -4.694 1.00 1.48 H new ATOM 0 HD3 ARG A 41 17.942 2.962 -4.850 1.00 1.48 H new ATOM 0 HE ARG A 41 16.897 0.344 -4.847 1.00 2.15 H new ATOM 0 HH11 ARG A 41 16.663 3.283 -6.799 1.00 2.69 H new ATOM 0 HH12 ARG A 41 16.327 2.401 -8.293 1.00 2.69 H new ATOM 0 HH21 ARG A 41 16.459 -0.778 -6.763 1.00 3.64 H new ATOM 0 HH22 ARG A 41 16.212 0.107 -8.272 1.00 3.64 H new ATOM 439 N PHE A 42 13.645 0.741 -0.243 1.00 0.23 N ATOM 440 CA PHE A 42 12.606 -0.116 0.285 1.00 0.24 C ATOM 441 C PHE A 42 11.430 -0.164 -0.664 1.00 0.19 C ATOM 442 O PHE A 42 10.956 0.865 -1.140 1.00 0.20 O ATOM 443 CB PHE A 42 12.157 0.377 1.664 1.00 0.32 C ATOM 444 CG PHE A 42 13.297 0.814 2.542 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.414 0.010 2.717 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.255 2.038 3.181 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.464 0.425 3.515 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.299 2.455 3.980 1.00 0.37 C ATOM 449 CZ PHE A 42 15.403 1.649 4.149 1.00 0.46 C ATOM 0 H PHE A 42 13.416 1.735 -0.257 1.00 0.23 H new ATOM 0 HA PHE A 42 13.009 -1.123 0.390 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.466 1.210 1.537 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.607 -0.419 2.165 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.464 -0.950 2.225 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.394 2.677 3.053 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.330 -0.208 3.642 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.251 3.414 4.474 1.00 0.37 H new ATOM 0 HZ PHE A 42 16.219 1.974 4.777 1.00 0.46 H new ATOM 459 N THR A 43 10.977 -1.366 -0.942 1.00 0.17 N ATOM 460 CA THR A 43 9.854 -1.583 -1.827 1.00 0.17 C ATOM 461 C THR A 43 8.771 -2.297 -1.039 1.00 0.17 C ATOM 462 O THR A 43 9.060 -3.273 -0.345 1.00 0.24 O ATOM 463 CB THR A 43 10.272 -2.435 -3.042 1.00 0.20 C ATOM 464 OG1 THR A 43 11.477 -1.904 -3.607 1.00 0.26 O ATOM 465 CG2 THR A 43 9.181 -2.449 -4.100 1.00 0.25 C ATOM 0 H THR A 43 11.378 -2.223 -0.560 1.00 0.17 H new ATOM 0 HA THR A 43 9.488 -0.627 -2.203 1.00 0.17 H new ATOM 0 HB THR A 43 10.438 -3.458 -2.704 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.744 -2.447 -4.378 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.502 -3.057 -4.946 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.269 -2.869 -3.676 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.989 -1.431 -4.438 1.00 0.25 H new ATOM 473 N PHE A 44 7.543 -1.817 -1.098 1.00 0.14 N ATOM 474 CA PHE A 44 6.483 -2.360 -0.274 1.00 0.12 C ATOM 475 C PHE A 44 5.201 -2.489 -1.103 1.00 0.13 C ATOM 476 O PHE A 44 5.007 -1.740 -2.059 1.00 0.16 O ATOM 477 CB PHE A 44 6.291 -1.435 0.945 1.00 0.14 C ATOM 478 CG PHE A 44 4.872 -1.256 1.377 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.169 -2.292 1.957 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.239 -0.049 1.180 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.857 -2.126 2.331 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.928 0.121 1.552 1.00 0.17 C ATOM 483 CZ PHE A 44 2.236 -0.920 2.126 1.00 0.15 C ATOM 0 H PHE A 44 7.256 -1.052 -1.709 1.00 0.14 H new ATOM 0 HA PHE A 44 6.740 -3.357 0.084 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.863 -1.836 1.782 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.711 -0.457 0.711 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.655 -3.243 2.119 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.778 0.771 0.729 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.316 -2.943 2.785 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.441 1.072 1.394 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.204 -0.788 2.415 1.00 0.15 H new ATOM 493 N GLY A 45 4.345 -3.444 -0.746 1.00 0.13 N ATOM 494 CA GLY A 45 3.091 -3.633 -1.452 1.00 0.17 C ATOM 495 C GLY A 45 1.902 -3.598 -0.515 1.00 0.15 C ATOM 496 O GLY A 45 1.935 -4.217 0.548 1.00 0.15 O ATOM 0 H GLY A 45 4.500 -4.094 0.025 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.980 -2.856 -2.208 1.00 0.17 H new ATOM 0 HA3 GLY A 45 3.111 -4.588 -1.977 1.00 0.17 H new ATOM 500 N VAL A 46 0.836 -2.906 -0.912 1.00 0.15 N ATOM 501 CA VAL A 46 -0.329 -2.723 -0.051 1.00 0.15 C ATOM 502 C VAL A 46 -1.482 -3.561 -0.561 1.00 0.14 C ATOM 503 O VAL A 46 -1.553 -3.861 -1.751 1.00 0.19 O ATOM 504 CB VAL A 46 -0.834 -1.265 -0.046 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.489 -0.933 1.281 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.269 -0.281 -0.377 1.00 0.76 C ATOM 0 H VAL A 46 0.756 -2.462 -1.827 1.00 0.15 H new ATOM 0 HA VAL A 46 -0.013 -3.012 0.951 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.584 -1.173 -0.832 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.839 0.099 1.266 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.335 -1.600 1.446 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.765 -1.059 2.086 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.131 0.733 -0.362 1.00 0.76 H new ATOM 0 HG22 VAL A 46 1.067 -0.367 0.361 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.666 -0.500 -1.368 1.00 0.76 H new ATOM 516 N ARG A 47 -2.394 -3.928 0.320 1.00 0.15 N ATOM 517 CA ARG A 47 -3.621 -4.576 -0.088 1.00 0.18 C ATOM 518 C ARG A 47 -4.721 -4.205 0.900 1.00 0.15 C ATOM 519 O ARG A 47 -4.452 -4.006 2.088 1.00 0.19 O ATOM 520 CB ARG A 47 -3.435 -6.100 -0.189 1.00 0.33 C ATOM 521 CG ARG A 47 -2.858 -6.753 1.057 1.00 0.66 C ATOM 522 CD ARG A 47 -2.390 -8.171 0.769 1.00 1.02 C ATOM 523 NE ARG A 47 -1.930 -8.853 1.979 1.00 1.43 N ATOM 524 CZ ARG A 47 -0.747 -9.461 2.098 1.00 1.85 C ATOM 525 NH1 ARG A 47 0.142 -9.427 1.110 1.00 1.99 N ATOM 526 NH2 ARG A 47 -0.445 -10.085 3.227 1.00 2.62 N ATOM 0 H ARG A 47 -2.305 -3.786 1.326 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.906 -4.232 -1.082 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.400 -6.557 -0.408 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.780 -6.317 -1.033 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.022 -6.160 1.428 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.612 -6.769 1.844 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -3.206 -8.738 0.321 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -1.582 -8.145 0.038 1.00 1.02 H new ATOM 0 HE ARG A 47 -2.555 -8.865 2.785 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -0.075 -8.931 0.245 1.00 1.99 H new ATOM 0 HH12 ARG A 47 1.041 -9.897 1.217 1.00 1.99 H new ATOM 0 HH21 ARG A 47 -1.114 -10.098 3.997 1.00 2.62 H new ATOM 0 HH22 ARG A 47 0.456 -10.552 3.326 1.00 2.62 H new ATOM 540 N VAL A 48 -5.938 -4.065 0.399 1.00 0.13 N ATOM 541 CA VAL A 48 -7.082 -3.692 1.231 1.00 0.13 C ATOM 542 C VAL A 48 -8.208 -4.711 1.075 1.00 0.12 C ATOM 543 O VAL A 48 -8.288 -5.393 0.056 1.00 0.13 O ATOM 544 CB VAL A 48 -7.603 -2.289 0.846 1.00 0.15 C ATOM 545 CG1 VAL A 48 -8.789 -1.886 1.704 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.506 -1.253 0.967 1.00 0.22 C ATOM 0 H VAL A 48 -6.165 -4.204 -0.586 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.752 -3.676 2.270 1.00 0.13 H new ATOM 0 HB VAL A 48 -7.929 -2.338 -0.193 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.132 -0.894 1.408 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.597 -2.605 1.568 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.491 -1.869 2.752 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -6.898 -0.274 0.691 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.146 -1.223 1.995 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.683 -1.515 0.302 1.00 0.22 H new ATOM 556 N ASN A 49 -9.078 -4.813 2.075 1.00 0.13 N ATOM 557 CA ASN A 49 -10.183 -5.756 2.020 1.00 0.15 C ATOM 558 C ASN A 49 -11.441 -5.069 1.506 1.00 0.16 C ATOM 559 O ASN A 49 -12.287 -4.616 2.274 1.00 0.18 O ATOM 560 CB ASN A 49 -10.445 -6.387 3.386 1.00 0.20 C ATOM 561 CG ASN A 49 -11.492 -7.485 3.318 1.00 0.66 C ATOM 562 OD1 ASN A 49 -11.659 -8.141 2.289 1.00 1.59 O ATOM 563 ND2 ASN A 49 -12.197 -7.702 4.417 1.00 1.21 N ATOM 0 H ASN A 49 -9.037 -4.256 2.928 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.907 -6.553 1.330 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.515 -6.798 3.779 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.773 -5.617 4.084 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -12.908 -8.434 4.431 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -12.030 -7.138 5.250 1.00 1.21 H new ATOM 570 N THR A 50 -11.526 -5.000 0.196 1.00 0.17 N ATOM 571 CA THR A 50 -12.694 -4.416 -0.448 1.00 0.21 C ATOM 572 C THR A 50 -13.860 -5.374 -0.314 1.00 0.25 C ATOM 573 O THR A 50 -13.928 -6.369 -1.007 1.00 0.33 O ATOM 574 CB THR A 50 -12.464 -4.052 -1.930 1.00 0.27 C ATOM 575 OG1 THR A 50 -11.918 -5.164 -2.658 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.542 -2.851 -2.051 1.00 0.29 C ATOM 0 H THR A 50 -10.808 -5.337 -0.446 1.00 0.17 H new ATOM 0 HA THR A 50 -12.908 -3.475 0.059 1.00 0.21 H new ATOM 0 HB THR A 50 -13.432 -3.799 -2.362 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.691 -5.884 -2.033 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.393 -2.611 -3.104 1.00 0.29 H new ATOM 0 HG22 THR A 50 -11.990 -1.996 -1.544 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.581 -3.083 -1.592 1.00 0.29 H new ATOM 584 N SER A 51 -14.761 -5.057 0.607 1.00 0.25 N ATOM 585 CA SER A 51 -15.845 -5.951 1.014 1.00 0.30 C ATOM 586 C SER A 51 -16.567 -6.595 -0.179 1.00 0.33 C ATOM 587 O SER A 51 -17.030 -7.732 -0.087 1.00 0.42 O ATOM 588 CB SER A 51 -16.841 -5.172 1.876 1.00 0.35 C ATOM 589 OG SER A 51 -17.770 -6.035 2.507 1.00 1.32 O ATOM 0 H SER A 51 -14.762 -4.164 1.099 1.00 0.25 H new ATOM 0 HA SER A 51 -15.403 -6.767 1.586 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.301 -4.602 2.632 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.375 -4.452 1.256 1.00 0.35 H new ATOM 0 HG SER A 51 -18.391 -5.506 3.051 1.00 1.32 H new ATOM 595 N ASP A 52 -16.658 -5.866 -1.284 1.00 0.33 N ATOM 596 CA ASP A 52 -17.340 -6.352 -2.481 1.00 0.41 C ATOM 597 C ASP A 52 -16.551 -7.447 -3.210 1.00 0.31 C ATOM 598 O ASP A 52 -17.131 -8.236 -3.953 1.00 0.37 O ATOM 599 CB ASP A 52 -17.608 -5.192 -3.440 1.00 0.64 C ATOM 600 CG ASP A 52 -16.337 -4.587 -4.012 1.00 0.82 C ATOM 601 OD1 ASP A 52 -15.714 -3.750 -3.327 1.00 0.85 O ATOM 602 OD2 ASP A 52 -15.960 -4.935 -5.152 1.00 1.30 O ATOM 0 H ASP A 52 -16.266 -4.929 -1.378 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.281 -6.793 -2.151 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -18.237 -5.543 -4.258 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -18.169 -4.417 -2.917 1.00 0.64 H new ATOM 607 N ARG A 53 -15.239 -7.508 -3.003 1.00 0.28 N ATOM 608 CA ARG A 53 -14.401 -8.459 -3.732 1.00 0.28 C ATOM 609 C ARG A 53 -13.422 -9.171 -2.793 1.00 0.24 C ATOM 610 O ARG A 53 -13.276 -10.393 -2.838 1.00 0.29 O ATOM 611 CB ARG A 53 -13.624 -7.733 -4.831 1.00 0.42 C ATOM 612 CG ARG A 53 -13.000 -8.663 -5.846 1.00 1.14 C ATOM 613 CD ARG A 53 -14.011 -9.026 -6.913 1.00 1.45 C ATOM 614 NE ARG A 53 -14.302 -7.900 -7.801 1.00 2.15 N ATOM 615 CZ ARG A 53 -15.387 -7.819 -8.570 1.00 2.81 C ATOM 616 NH1 ARG A 53 -16.271 -8.810 -8.578 1.00 3.05 N ATOM 617 NH2 ARG A 53 -15.582 -6.754 -9.339 1.00 3.68 N ATOM 0 H ARG A 53 -14.735 -6.916 -2.343 1.00 0.28 H new ATOM 0 HA ARG A 53 -15.053 -9.209 -4.178 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -14.295 -7.045 -5.345 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -12.840 -7.130 -4.373 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -12.133 -8.185 -6.303 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -12.642 -9.566 -5.351 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -13.633 -9.862 -7.501 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -14.933 -9.361 -6.439 1.00 1.45 H new ATOM 0 HE ARG A 53 -13.634 -7.130 -7.833 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -16.119 -9.633 -7.995 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -17.102 -8.748 -9.167 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -14.900 -5.995 -9.342 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -16.414 -6.695 -9.927 1.00 3.68 H new ATOM 631 N GLY A 54 -12.781 -8.398 -1.932 1.00 0.18 N ATOM 632 CA GLY A 54 -11.805 -8.931 -1.011 1.00 0.19 C ATOM 633 C GLY A 54 -10.482 -8.206 -1.093 1.00 0.17 C ATOM 634 O GLY A 54 -10.439 -7.028 -1.456 1.00 0.17 O ATOM 0 H GLY A 54 -12.925 -7.391 -1.856 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.192 -8.861 0.006 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.650 -9.989 -1.221 1.00 0.19 H new ATOM 638 N TRP A 55 -9.420 -8.905 -0.720 1.00 0.18 N ATOM 639 CA TRP A 55 -8.067 -8.384 -0.852 1.00 0.18 C ATOM 640 C TRP A 55 -7.833 -7.827 -2.253 1.00 0.19 C ATOM 641 O TRP A 55 -7.971 -8.538 -3.250 1.00 0.24 O ATOM 642 CB TRP A 55 -7.033 -9.470 -0.548 1.00 0.24 C ATOM 643 CG TRP A 55 -6.691 -9.618 0.908 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.671 -10.772 1.633 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.308 -8.576 1.812 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.285 -10.512 2.926 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.059 -9.170 3.061 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.146 -7.200 1.687 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.655 -8.429 4.171 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.749 -6.471 2.790 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.503 -7.082 4.014 1.00 0.27 C ATOM 0 H TRP A 55 -9.470 -9.842 -0.320 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.952 -7.576 -0.129 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.408 -10.424 -0.918 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.120 -9.249 -1.102 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.922 -11.749 1.247 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.183 -11.207 3.665 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.328 -6.710 0.742 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.469 -8.905 5.122 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.627 -5.402 2.700 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.187 -6.481 4.854 1.00 0.27 H new ATOM 662 N THR A 56 -7.508 -6.546 -2.313 1.00 0.18 N ATOM 663 CA THR A 56 -7.249 -5.871 -3.575 1.00 0.22 C ATOM 664 C THR A 56 -5.946 -6.342 -4.199 1.00 0.26 C ATOM 665 O THR A 56 -5.183 -7.090 -3.582 1.00 0.36 O ATOM 666 CB THR A 56 -7.167 -4.349 -3.380 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.190 -4.034 -2.375 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.511 -3.777 -2.982 1.00 0.24 C ATOM 0 H THR A 56 -7.416 -5.947 -1.493 1.00 0.18 H new ATOM 0 HA THR A 56 -8.080 -6.116 -4.237 1.00 0.22 H new ATOM 0 HB THR A 56 -6.871 -3.902 -4.329 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.143 -3.062 -2.258 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.423 -2.699 -2.851 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.242 -3.989 -3.762 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.837 -4.231 -2.046 1.00 0.24 H new ATOM 676 N ASP A 57 -5.694 -5.893 -5.418 1.00 0.30 N ATOM 677 CA ASP A 57 -4.419 -6.140 -6.063 1.00 0.34 C ATOM 678 C ASP A 57 -3.321 -5.507 -5.236 1.00 0.23 C ATOM 679 O ASP A 57 -3.435 -4.350 -4.820 1.00 0.35 O ATOM 680 CB ASP A 57 -4.389 -5.557 -7.475 1.00 0.49 C ATOM 681 CG ASP A 57 -5.395 -6.203 -8.402 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.140 -7.335 -8.862 1.00 1.84 O ATOM 683 OD2 ASP A 57 -6.436 -5.577 -8.689 1.00 0.98 O ATOM 0 H ASP A 57 -6.356 -5.356 -5.978 1.00 0.30 H new ATOM 0 HA ASP A 57 -4.270 -7.217 -6.138 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -4.585 -4.486 -7.424 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -3.389 -5.679 -7.891 1.00 0.49 H new ATOM 688 N GLU A 58 -2.276 -6.268 -4.980 1.00 0.27 N ATOM 689 CA GLU A 58 -1.183 -5.792 -4.164 1.00 0.27 C ATOM 690 C GLU A 58 -0.493 -4.634 -4.857 1.00 0.23 C ATOM 691 O GLU A 58 0.087 -4.785 -5.933 1.00 0.28 O ATOM 692 CB GLU A 58 -0.202 -6.918 -3.886 1.00 0.42 C ATOM 693 CG GLU A 58 0.734 -6.652 -2.720 1.00 0.44 C ATOM 694 CD GLU A 58 1.517 -7.885 -2.324 1.00 0.67 C ATOM 695 OE1 GLU A 58 2.531 -8.193 -2.985 1.00 0.83 O ATOM 696 OE2 GLU A 58 1.109 -8.567 -1.360 1.00 1.00 O ATOM 0 H GLU A 58 -2.163 -7.220 -5.327 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.575 -5.443 -3.209 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.762 -7.832 -3.687 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.393 -7.097 -4.782 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.427 -5.854 -2.987 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.156 -6.300 -1.865 1.00 0.44 H new ATOM 703 N CYS A 59 -0.585 -3.480 -4.238 1.00 0.19 N ATOM 704 CA CYS A 59 -0.068 -2.256 -4.821 1.00 0.20 C ATOM 705 C CYS A 59 1.359 -2.019 -4.365 1.00 0.17 C ATOM 706 O CYS A 59 1.598 -1.510 -3.269 1.00 0.17 O ATOM 707 CB CYS A 59 -0.949 -1.071 -4.429 1.00 0.27 C ATOM 708 SG CYS A 59 -2.691 -1.286 -4.859 1.00 0.36 S ATOM 0 H CYS A 59 -1.017 -3.359 -3.322 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.077 -2.356 -5.906 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.867 -0.909 -3.354 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.572 -0.172 -4.917 1.00 0.27 H new ATOM 0 HG CYS A 59 -2.989 -2.551 -4.843 1.00 0.36 H new ATOM 714 N ILE A 60 2.298 -2.410 -5.203 1.00 0.18 N ATOM 715 CA ILE A 60 3.704 -2.205 -4.934 1.00 0.16 C ATOM 716 C ILE A 60 4.097 -0.764 -5.236 1.00 0.16 C ATOM 717 O ILE A 60 3.840 -0.248 -6.329 1.00 0.18 O ATOM 718 CB ILE A 60 4.570 -3.191 -5.764 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.601 -4.579 -5.112 1.00 0.44 C ATOM 720 CG2 ILE A 60 5.988 -2.673 -5.939 1.00 0.27 C ATOM 721 CD1 ILE A 60 3.241 -5.190 -4.875 1.00 0.74 C ATOM 0 H ILE A 60 2.106 -2.878 -6.089 1.00 0.18 H new ATOM 0 HA ILE A 60 3.884 -2.399 -3.877 1.00 0.16 H new ATOM 0 HB ILE A 60 4.109 -3.274 -6.748 1.00 0.21 H new ATOM 0 HG12 ILE A 60 5.182 -5.251 -5.744 1.00 0.44 H new ATOM 0 HG13 ILE A 60 5.124 -4.507 -4.158 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.567 -3.387 -6.524 1.00 0.27 H new ATOM 0 HG22 ILE A 60 5.964 -1.714 -6.457 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.452 -2.545 -4.961 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.358 -6.170 -4.411 1.00 0.74 H new ATOM 0 HD12 ILE A 60 2.662 -4.544 -4.216 1.00 0.74 H new ATOM 0 HD13 ILE A 60 2.720 -5.299 -5.826 1.00 0.74 H new ATOM 733 N GLY A 61 4.698 -0.120 -4.250 1.00 0.16 N ATOM 734 CA GLY A 61 5.176 1.237 -4.420 1.00 0.20 C ATOM 735 C GLY A 61 6.561 1.271 -5.031 1.00 0.21 C ATOM 736 O GLY A 61 7.082 0.239 -5.461 1.00 0.23 O ATOM 0 H GLY A 61 4.865 -0.516 -3.325 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.484 1.789 -5.056 1.00 0.20 H new ATOM 0 HA3 GLY A 61 5.192 1.741 -3.454 1.00 0.20 H new ATOM 740 N GLU A 62 7.166 2.442 -5.061 1.00 0.27 N ATOM 741 CA GLU A 62 8.503 2.589 -5.613 1.00 0.31 C ATOM 742 C GLU A 62 9.549 2.346 -4.534 1.00 0.25 C ATOM 743 O GLU A 62 9.274 2.533 -3.350 1.00 0.29 O ATOM 744 CB GLU A 62 8.682 3.990 -6.200 1.00 0.47 C ATOM 745 CG GLU A 62 7.734 4.297 -7.345 1.00 0.79 C ATOM 746 CD GLU A 62 8.044 5.620 -8.006 1.00 1.07 C ATOM 747 OE1 GLU A 62 8.908 5.650 -8.906 1.00 1.37 O ATOM 748 OE2 GLU A 62 7.422 6.635 -7.633 1.00 1.32 O ATOM 0 H GLU A 62 6.755 3.307 -4.710 1.00 0.27 H new ATOM 0 HA GLU A 62 8.633 1.852 -6.406 1.00 0.31 H new ATOM 0 HB2 GLU A 62 8.535 4.727 -5.410 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.708 4.099 -6.550 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.793 3.500 -8.086 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.710 4.311 -6.972 1.00 0.79 H new ATOM 755 N PRO A 63 10.745 1.880 -4.926 1.00 0.24 N ATOM 756 CA PRO A 63 11.886 1.765 -4.014 1.00 0.24 C ATOM 757 C PRO A 63 12.224 3.111 -3.378 1.00 0.21 C ATOM 758 O PRO A 63 12.758 4.005 -4.037 1.00 0.24 O ATOM 759 CB PRO A 63 13.032 1.298 -4.917 1.00 0.32 C ATOM 760 CG PRO A 63 12.366 0.666 -6.090 1.00 0.51 C ATOM 761 CD PRO A 63 11.070 1.403 -6.282 1.00 0.30 C ATOM 0 HA PRO A 63 11.688 1.083 -3.187 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.659 2.135 -5.223 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.678 0.588 -4.400 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.992 0.740 -6.980 1.00 0.51 H new ATOM 0 HG3 PRO A 63 12.188 -0.395 -5.912 1.00 0.51 H new ATOM 0 HD2 PRO A 63 11.178 2.230 -6.984 1.00 0.30 H new ATOM 0 HD3 PRO A 63 10.291 0.750 -6.676 1.00 0.30 H new ATOM 769 N MET A 64 11.922 3.244 -2.096 1.00 0.19 N ATOM 770 CA MET A 64 12.052 4.517 -1.399 1.00 0.20 C ATOM 771 C MET A 64 13.197 4.461 -0.396 1.00 0.21 C ATOM 772 O MET A 64 13.471 3.409 0.175 1.00 0.26 O ATOM 773 CB MET A 64 10.744 4.852 -0.683 1.00 0.24 C ATOM 774 CG MET A 64 9.573 5.020 -1.633 1.00 0.32 C ATOM 775 SD MET A 64 9.756 6.432 -2.739 1.00 0.62 S ATOM 776 CE MET A 64 9.373 7.779 -1.625 1.00 0.67 C ATOM 0 H MET A 64 11.582 2.480 -1.512 1.00 0.19 H new ATOM 0 HA MET A 64 12.270 5.296 -2.130 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.515 4.061 0.031 1.00 0.24 H new ATOM 0 HB3 MET A 64 10.875 5.770 -0.111 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.462 4.113 -2.227 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.657 5.136 -1.054 1.00 0.32 H new ATOM 0 HE1 MET A 64 9.216 8.692 -2.199 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.468 7.542 -1.065 1.00 0.67 H new ATOM 0 HE3 MET A 64 10.201 7.924 -0.932 1.00 0.67 H new ATOM 786 N PRO A 65 13.887 5.589 -0.174 1.00 0.23 N ATOM 787 CA PRO A 65 15.040 5.648 0.728 1.00 0.26 C ATOM 788 C PRO A 65 14.661 5.772 2.207 1.00 0.25 C ATOM 789 O PRO A 65 15.536 5.927 3.063 1.00 0.27 O ATOM 790 CB PRO A 65 15.768 6.905 0.261 1.00 0.31 C ATOM 791 CG PRO A 65 14.685 7.797 -0.238 1.00 0.32 C ATOM 792 CD PRO A 65 13.622 6.895 -0.812 1.00 0.29 C ATOM 0 HA PRO A 65 15.630 4.733 0.682 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.321 7.370 1.077 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.489 6.678 -0.524 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.282 8.408 0.570 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.064 8.482 -0.996 1.00 0.32 H new ATOM 0 HD2 PRO A 65 12.621 7.258 -0.580 1.00 0.29 H new ATOM 0 HD3 PRO A 65 13.694 6.832 -1.898 1.00 0.29 H new ATOM 800 N SER A 66 13.368 5.722 2.511 1.00 0.23 N ATOM 801 CA SER A 66 12.903 5.774 3.889 1.00 0.24 C ATOM 802 C SER A 66 11.628 4.941 4.036 1.00 0.22 C ATOM 803 O SER A 66 10.742 4.996 3.179 1.00 0.20 O ATOM 804 CB SER A 66 12.651 7.228 4.291 1.00 0.29 C ATOM 805 OG SER A 66 13.812 8.019 4.088 1.00 1.30 O ATOM 0 H SER A 66 12.623 5.645 1.818 1.00 0.23 H new ATOM 0 HA SER A 66 13.664 5.358 4.549 1.00 0.24 H new ATOM 0 HB2 SER A 66 11.824 7.633 3.707 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.354 7.273 5.339 1.00 0.29 H new ATOM 0 HG SER A 66 13.627 8.945 4.350 1.00 1.30 H new ATOM 811 N VAL A 67 11.551 4.169 5.122 1.00 0.25 N ATOM 812 CA VAL A 67 10.478 3.189 5.316 1.00 0.26 C ATOM 813 C VAL A 67 9.115 3.854 5.457 1.00 0.25 C ATOM 814 O VAL A 67 8.089 3.263 5.114 1.00 0.29 O ATOM 815 CB VAL A 67 10.722 2.287 6.552 1.00 0.37 C ATOM 816 CG1 VAL A 67 11.948 1.413 6.354 1.00 1.14 C ATOM 817 CG2 VAL A 67 10.863 3.116 7.821 1.00 1.08 C ATOM 0 H VAL A 67 12.225 4.204 5.887 1.00 0.25 H new ATOM 0 HA VAL A 67 10.485 2.570 4.419 1.00 0.26 H new ATOM 0 HB VAL A 67 9.851 1.641 6.663 1.00 0.37 H new ATOM 0 HG11 VAL A 67 12.097 0.790 7.236 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.804 0.777 5.480 1.00 1.14 H new ATOM 0 HG13 VAL A 67 12.824 2.044 6.203 1.00 1.14 H new ATOM 0 HG21 VAL A 67 11.033 2.455 8.671 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.706 3.799 7.718 1.00 1.08 H new ATOM 0 HG23 VAL A 67 9.950 3.689 7.985 1.00 1.08 H new ATOM 827 N LYS A 68 9.106 5.075 5.967 1.00 0.29 N ATOM 828 CA LYS A 68 7.872 5.828 6.105 1.00 0.32 C ATOM 829 C LYS A 68 7.363 6.269 4.741 1.00 0.30 C ATOM 830 O LYS A 68 6.154 6.275 4.492 1.00 0.33 O ATOM 831 CB LYS A 68 8.079 7.039 7.014 1.00 0.41 C ATOM 832 CG LYS A 68 8.329 6.672 8.470 1.00 1.12 C ATOM 833 CD LYS A 68 7.105 6.032 9.104 1.00 1.56 C ATOM 834 CE LYS A 68 7.349 5.688 10.565 1.00 2.37 C ATOM 835 NZ LYS A 68 7.685 6.890 11.373 1.00 2.82 N ATOM 0 H LYS A 68 9.940 5.565 6.292 1.00 0.29 H new ATOM 0 HA LYS A 68 7.124 5.180 6.561 1.00 0.32 H new ATOM 0 HB2 LYS A 68 8.924 7.620 6.644 1.00 0.41 H new ATOM 0 HB3 LYS A 68 7.200 7.681 6.956 1.00 0.41 H new ATOM 0 HG2 LYS A 68 9.173 5.985 8.533 1.00 1.12 H new ATOM 0 HG3 LYS A 68 8.603 7.566 9.029 1.00 1.12 H new ATOM 0 HD2 LYS A 68 6.256 6.712 9.026 1.00 1.56 H new ATOM 0 HD3 LYS A 68 6.841 5.128 8.556 1.00 1.56 H new ATOM 0 HE2 LYS A 68 6.460 5.211 10.978 1.00 2.37 H new ATOM 0 HE3 LYS A 68 8.162 4.965 10.636 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 7.611 6.660 12.385 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 8.656 7.193 11.157 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 7.023 7.659 11.143 1.00 2.82 H new ATOM 849 N LYS A 69 8.288 6.608 3.845 1.00 0.29 N ATOM 850 CA LYS A 69 7.929 7.035 2.502 1.00 0.32 C ATOM 851 C LYS A 69 7.493 5.836 1.682 1.00 0.24 C ATOM 852 O LYS A 69 6.693 5.963 0.759 1.00 0.24 O ATOM 853 CB LYS A 69 9.109 7.720 1.810 1.00 0.47 C ATOM 854 CG LYS A 69 9.714 8.851 2.615 1.00 0.57 C ATOM 855 CD LYS A 69 10.791 9.595 1.840 1.00 0.45 C ATOM 856 CE LYS A 69 10.192 10.441 0.724 1.00 0.90 C ATOM 857 NZ LYS A 69 11.214 11.278 0.042 1.00 1.36 N ATOM 0 H LYS A 69 9.291 6.594 4.029 1.00 0.29 H new ATOM 0 HA LYS A 69 7.109 7.749 2.580 1.00 0.32 H new ATOM 0 HB2 LYS A 69 9.881 6.977 1.607 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.778 8.108 0.847 1.00 0.47 H new ATOM 0 HG2 LYS A 69 8.929 9.549 2.904 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.141 8.452 3.535 1.00 0.57 H new ATOM 0 HD2 LYS A 69 11.354 10.234 2.520 1.00 0.45 H new ATOM 0 HD3 LYS A 69 11.496 8.880 1.417 1.00 0.45 H new ATOM 0 HE2 LYS A 69 9.713 9.789 -0.006 1.00 0.90 H new ATOM 0 HE3 LYS A 69 9.414 11.084 1.136 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 10.761 11.836 -0.709 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 11.654 11.920 0.732 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 11.943 10.665 -0.375 1.00 1.36 H new ATOM 871 N ALA A 70 8.030 4.671 2.029 1.00 0.21 N ATOM 872 CA ALA A 70 7.684 3.431 1.351 1.00 0.19 C ATOM 873 C ALA A 70 6.189 3.167 1.447 1.00 0.16 C ATOM 874 O ALA A 70 5.504 3.066 0.428 1.00 0.17 O ATOM 875 CB ALA A 70 8.471 2.266 1.937 1.00 0.21 C ATOM 0 H ALA A 70 8.711 4.562 2.781 1.00 0.21 H new ATOM 0 HA ALA A 70 7.947 3.530 0.298 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.200 1.346 1.418 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.538 2.450 1.815 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.239 2.167 2.997 1.00 0.21 H new ATOM 881 N LYS A 71 5.688 3.067 2.682 1.00 0.15 N ATOM 882 CA LYS A 71 4.272 2.847 2.943 1.00 0.17 C ATOM 883 C LYS A 71 3.407 3.884 2.237 1.00 0.16 C ATOM 884 O LYS A 71 2.554 3.542 1.417 1.00 0.17 O ATOM 885 CB LYS A 71 4.005 2.917 4.449 1.00 0.29 C ATOM 886 CG LYS A 71 4.761 1.881 5.266 1.00 0.92 C ATOM 887 CD LYS A 71 4.694 2.205 6.752 1.00 1.29 C ATOM 888 CE LYS A 71 5.357 1.128 7.600 1.00 1.99 C ATOM 889 NZ LYS A 71 4.568 -0.131 7.621 1.00 2.42 N ATOM 0 H LYS A 71 6.257 3.137 3.526 1.00 0.15 H new ATOM 0 HA LYS A 71 4.013 1.860 2.559 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.272 3.911 4.808 1.00 0.29 H new ATOM 0 HB3 LYS A 71 2.936 2.791 4.623 1.00 0.29 H new ATOM 0 HG2 LYS A 71 4.339 0.892 5.086 1.00 0.92 H new ATOM 0 HG3 LYS A 71 5.802 1.847 4.944 1.00 0.92 H new ATOM 0 HD2 LYS A 71 5.180 3.163 6.937 1.00 1.29 H new ATOM 0 HD3 LYS A 71 3.652 2.313 7.053 1.00 1.29 H new ATOM 0 HE2 LYS A 71 6.355 0.924 7.211 1.00 1.99 H new ATOM 0 HE3 LYS A 71 5.481 1.495 8.619 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 4.991 -0.794 8.301 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 3.589 0.077 7.904 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 4.571 -0.558 6.673 1.00 2.42 H new ATOM 903 N ASP A 72 3.650 5.149 2.557 1.00 0.19 N ATOM 904 CA ASP A 72 2.808 6.243 2.080 1.00 0.24 C ATOM 905 C ASP A 72 2.725 6.302 0.558 1.00 0.22 C ATOM 906 O ASP A 72 1.645 6.501 0.006 1.00 0.23 O ATOM 907 CB ASP A 72 3.312 7.583 2.615 1.00 0.32 C ATOM 908 CG ASP A 72 2.412 8.730 2.205 1.00 1.06 C ATOM 909 OD1 ASP A 72 1.339 8.902 2.821 1.00 0.99 O ATOM 910 OD2 ASP A 72 2.763 9.460 1.254 1.00 2.01 O ATOM 0 H ASP A 72 4.427 5.445 3.148 1.00 0.19 H new ATOM 0 HA ASP A 72 1.805 6.047 2.458 1.00 0.24 H new ATOM 0 HB2 ASP A 72 3.372 7.540 3.702 1.00 0.32 H new ATOM 0 HB3 ASP A 72 4.322 7.764 2.247 1.00 0.32 H new ATOM 915 N SER A 73 3.847 6.113 -0.120 1.00 0.21 N ATOM 916 CA SER A 73 3.880 6.251 -1.570 1.00 0.24 C ATOM 917 C SER A 73 3.128 5.112 -2.256 1.00 0.20 C ATOM 918 O SER A 73 2.466 5.323 -3.274 1.00 0.24 O ATOM 919 CB SER A 73 5.327 6.326 -2.053 1.00 0.30 C ATOM 920 OG SER A 73 6.016 7.370 -1.387 1.00 1.14 O ATOM 0 H SER A 73 4.740 5.866 0.305 1.00 0.21 H new ATOM 0 HA SER A 73 3.373 7.178 -1.839 1.00 0.24 H new ATOM 0 HB2 SER A 73 5.828 5.376 -1.869 1.00 0.30 H new ATOM 0 HB3 SER A 73 5.350 6.495 -3.130 1.00 0.30 H new ATOM 0 HG SER A 73 6.192 7.106 -0.460 1.00 1.14 H new ATOM 926 N ALA A 74 3.222 3.911 -1.699 1.00 0.16 N ATOM 927 CA ALA A 74 2.452 2.785 -2.211 1.00 0.17 C ATOM 928 C ALA A 74 0.966 3.023 -1.953 1.00 0.16 C ATOM 929 O ALA A 74 0.115 2.783 -2.811 1.00 0.17 O ATOM 930 CB ALA A 74 2.903 1.496 -1.550 1.00 0.18 C ATOM 0 H ALA A 74 3.818 3.693 -0.900 1.00 0.16 H new ATOM 0 HA ALA A 74 2.618 2.696 -3.285 1.00 0.17 H new ATOM 0 HB1 ALA A 74 2.320 0.663 -1.942 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.960 1.330 -1.760 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.754 1.568 -0.473 1.00 0.18 H new ATOM 936 N ALA A 75 0.687 3.508 -0.747 1.00 0.18 N ATOM 937 CA ALA A 75 -0.660 3.882 -0.335 1.00 0.21 C ATOM 938 C ALA A 75 -1.291 4.875 -1.313 1.00 0.21 C ATOM 939 O ALA A 75 -2.488 4.814 -1.564 1.00 0.24 O ATOM 940 CB ALA A 75 -0.644 4.462 1.070 1.00 0.26 C ATOM 0 H ALA A 75 1.393 3.653 -0.025 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.270 2.979 -0.338 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.658 4.736 1.362 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.254 3.719 1.766 1.00 0.26 H new ATOM 0 HB3 ALA A 75 -0.009 5.347 1.091 1.00 0.26 H new ATOM 946 N VAL A 76 -0.482 5.770 -1.892 1.00 0.21 N ATOM 947 CA VAL A 76 -0.982 6.764 -2.847 1.00 0.25 C ATOM 948 C VAL A 76 -1.518 6.082 -4.106 1.00 0.20 C ATOM 949 O VAL A 76 -2.509 6.521 -4.693 1.00 0.21 O ATOM 950 CB VAL A 76 0.117 7.782 -3.241 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.389 8.757 -4.295 1.00 0.77 C ATOM 952 CG2 VAL A 76 0.602 8.541 -2.019 1.00 0.83 C ATOM 0 H VAL A 76 0.521 5.826 -1.716 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.791 7.303 -2.354 1.00 0.25 H new ATOM 0 HB VAL A 76 0.952 7.224 -3.665 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.404 9.459 -4.552 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.688 8.206 -5.187 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -1.246 9.305 -3.902 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.374 9.252 -2.315 1.00 0.83 H new ATOM 0 HG22 VAL A 76 -0.233 9.078 -1.569 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.014 7.839 -1.294 1.00 0.83 H new ATOM 962 N LEU A 77 -0.878 4.987 -4.491 1.00 0.19 N ATOM 963 CA LEU A 77 -1.303 4.215 -5.648 1.00 0.21 C ATOM 964 C LEU A 77 -2.557 3.429 -5.292 1.00 0.22 C ATOM 965 O LEU A 77 -3.440 3.206 -6.120 1.00 0.28 O ATOM 966 CB LEU A 77 -0.190 3.259 -6.075 1.00 0.26 C ATOM 967 CG LEU A 77 1.138 3.924 -6.450 1.00 0.32 C ATOM 968 CD1 LEU A 77 2.182 2.871 -6.784 1.00 0.39 C ATOM 969 CD2 LEU A 77 0.951 4.876 -7.621 1.00 0.39 C ATOM 0 H LEU A 77 -0.057 4.612 -4.015 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.520 4.890 -6.476 1.00 0.21 H new ATOM 0 HB2 LEU A 77 -0.008 2.555 -5.263 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.540 2.678 -6.929 1.00 0.26 H new ATOM 0 HG LEU A 77 1.487 4.500 -5.593 1.00 0.32 H new ATOM 0 HD11 LEU A 77 3.120 3.360 -7.048 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.339 2.227 -5.919 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.836 2.270 -7.625 1.00 0.39 H new ATOM 0 HD21 LEU A 77 1.906 5.337 -7.871 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.578 4.323 -8.483 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.234 5.651 -7.349 1.00 0.39 H new ATOM 981 N LEU A 78 -2.615 3.028 -4.034 1.00 0.22 N ATOM 982 CA LEU A 78 -3.746 2.312 -3.481 1.00 0.27 C ATOM 983 C LEU A 78 -4.990 3.192 -3.503 1.00 0.27 C ATOM 984 O LEU A 78 -6.102 2.724 -3.749 1.00 0.29 O ATOM 985 CB LEU A 78 -3.401 1.918 -2.054 1.00 0.36 C ATOM 986 CG LEU A 78 -4.469 1.161 -1.289 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.568 -0.273 -1.789 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.153 1.218 0.196 1.00 0.81 C ATOM 0 H LEU A 78 -1.867 3.194 -3.361 1.00 0.22 H new ATOM 0 HA LEU A 78 -3.956 1.422 -4.075 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.499 1.307 -2.076 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -3.159 2.824 -1.498 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.441 1.626 -1.455 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.339 -0.801 -1.229 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -4.825 -0.272 -2.848 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.610 -0.774 -1.649 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.918 0.675 0.752 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.180 0.763 0.379 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -4.135 2.257 0.524 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.780 4.472 -3.243 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.851 5.448 -3.261 1.00 0.38 C ATOM 1002 C LEU A 79 -6.495 5.521 -4.641 1.00 0.34 C ATOM 1003 O LEU A 79 -7.676 5.831 -4.766 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.320 6.821 -2.859 1.00 0.48 C ATOM 1005 CG LEU A 79 -4.531 6.866 -1.548 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -4.282 8.302 -1.120 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -5.246 6.084 -0.456 1.00 1.08 C ATOM 0 H LEU A 79 -3.865 4.860 -3.015 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.609 5.135 -2.543 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.681 7.193 -3.660 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -6.163 7.508 -2.779 1.00 0.48 H new ATOM 0 HG LEU A 79 -3.564 6.393 -1.716 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -3.720 8.311 -0.186 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -3.711 8.818 -1.892 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -5.236 8.809 -0.974 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -4.665 6.131 0.465 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -6.232 6.516 -0.286 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -5.353 5.044 -0.764 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.715 5.213 -5.670 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.226 5.204 -7.034 1.00 0.33 C ATOM 1021 C GLU A 80 -7.127 3.996 -7.245 1.00 0.27 C ATOM 1022 O GLU A 80 -8.136 4.072 -7.943 1.00 0.30 O ATOM 1023 CB GLU A 80 -5.082 5.172 -8.043 1.00 0.43 C ATOM 1024 CG GLU A 80 -4.149 6.366 -7.954 1.00 0.80 C ATOM 1025 CD GLU A 80 -3.143 6.398 -9.085 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -2.924 5.348 -9.723 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -2.574 7.475 -9.351 1.00 1.86 O ATOM 0 H GLU A 80 -4.729 4.967 -5.586 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.800 6.117 -7.188 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.504 4.260 -7.893 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.499 5.124 -9.049 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -4.736 7.284 -7.968 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -3.620 6.340 -7.001 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.751 2.887 -6.627 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.533 1.666 -6.684 1.00 0.24 C ATOM 1036 C LEU A 81 -8.850 1.884 -5.949 1.00 0.25 C ATOM 1037 O LEU A 81 -9.927 1.554 -6.443 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.742 0.534 -6.029 1.00 0.31 C ATOM 1039 CG LEU A 81 -6.899 -0.846 -6.662 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -5.941 -1.826 -6.007 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -8.331 -1.349 -6.544 1.00 1.17 C ATOM 0 H LEU A 81 -5.897 2.810 -6.074 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.743 1.400 -7.720 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.685 0.800 -6.044 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -7.040 0.468 -4.983 1.00 0.31 H new ATOM 0 HG LEU A 81 -6.661 -0.764 -7.723 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -6.058 -2.809 -6.463 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -4.916 -1.481 -6.146 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -6.160 -1.892 -4.941 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -8.410 -2.334 -7.004 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.607 -1.417 -5.492 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -9.003 -0.657 -7.051 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.739 2.476 -4.767 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.882 2.796 -3.929 1.00 0.41 C ATOM 1055 C LEU A 82 -10.718 3.933 -4.510 1.00 0.46 C ATOM 1056 O LEU A 82 -11.824 4.197 -4.044 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.381 3.168 -2.538 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.392 2.032 -1.517 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -8.860 0.734 -2.109 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -8.586 2.418 -0.284 1.00 1.15 C ATOM 0 H LEU A 82 -7.844 2.749 -4.361 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.529 1.920 -3.878 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.363 3.547 -2.625 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -9.993 3.985 -2.155 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.429 1.863 -1.227 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -8.885 -0.049 -1.351 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.480 0.439 -2.955 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -7.834 0.881 -2.445 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -8.604 1.598 0.434 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.556 2.625 -0.573 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -9.021 3.308 0.171 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.188 4.603 -5.518 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.928 5.661 -6.199 1.00 0.55 C ATOM 1074 C ASN A 83 -11.813 5.052 -7.284 1.00 0.53 C ATOM 1075 O ASN A 83 -12.609 5.737 -7.927 1.00 0.59 O ATOM 1076 CB ASN A 83 -9.965 6.689 -6.800 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.672 7.933 -7.306 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -11.719 8.327 -6.788 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -10.096 8.570 -8.314 1.00 1.46 N ATOM 0 H ASN A 83 -9.251 4.437 -5.885 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.560 6.175 -5.475 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.230 6.975 -6.047 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.416 6.229 -7.622 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -10.519 9.419 -8.689 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -9.229 8.212 -8.715 1.00 1.46 H new ATOM 1086 N LYS A 84 -11.676 3.746 -7.459 1.00 0.50 N ATOM 1087 CA LYS A 84 -12.443 3.011 -8.448 1.00 0.58 C ATOM 1088 C LYS A 84 -13.378 2.033 -7.747 1.00 1.18 C ATOM 1089 O LYS A 84 -13.473 0.861 -8.122 1.00 1.86 O ATOM 1090 CB LYS A 84 -11.502 2.248 -9.382 1.00 1.18 C ATOM 1091 CG LYS A 84 -10.388 3.106 -9.951 1.00 1.90 C ATOM 1092 CD LYS A 84 -9.584 2.351 -10.998 1.00 2.86 C ATOM 1093 CE LYS A 84 -8.578 3.252 -11.692 1.00 3.49 C ATOM 1094 NZ LYS A 84 -7.591 3.832 -10.742 1.00 4.17 N ATOM 0 H LYS A 84 -11.031 3.169 -6.920 1.00 0.50 H new ATOM 0 HA LYS A 84 -13.031 3.715 -9.037 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -11.064 1.411 -8.839 1.00 1.18 H new ATOM 0 HB3 LYS A 84 -12.081 1.827 -10.204 1.00 1.18 H new ATOM 0 HG2 LYS A 84 -10.812 4.007 -10.395 1.00 1.90 H new ATOM 0 HG3 LYS A 84 -9.728 3.428 -9.146 1.00 1.90 H new ATOM 0 HD2 LYS A 84 -9.062 1.519 -10.525 1.00 2.86 H new ATOM 0 HD3 LYS A 84 -10.261 1.924 -11.738 1.00 2.86 H new ATOM 0 HE2 LYS A 84 -8.051 2.683 -12.458 1.00 3.49 H new ATOM 0 HE3 LYS A 84 -9.106 4.058 -12.201 1.00 3.49 H new ATOM 0 HZ1 LYS A 84 -7.594 4.868 -10.828 1.00 4.17 H new ATOM 0 HZ2 LYS A 84 -7.846 3.564 -9.770 1.00 4.17 H new ATOM 0 HZ3 LYS A 84 -6.642 3.470 -10.963 1.00 4.17 H new ATOM 1108 N THR A 85 -14.057 2.512 -6.719 1.00 1.78 N ATOM 1109 CA THR A 85 -14.905 1.658 -5.906 1.00 2.69 C ATOM 1110 C THR A 85 -16.348 2.162 -5.895 1.00 3.28 C ATOM 1111 O THR A 85 -16.699 2.972 -5.008 1.00 3.79 O ATOM 1112 CB THR A 85 -14.366 1.556 -4.464 1.00 3.20 C ATOM 1113 OG1 THR A 85 -14.108 2.867 -3.939 1.00 3.79 O ATOM 1114 CG2 THR A 85 -13.088 0.730 -4.416 1.00 2.93 C ATOM 1115 OXT THR A 85 -17.127 1.746 -6.780 1.00 3.62 O ATOM 0 H THR A 85 -14.037 3.489 -6.427 1.00 1.78 H new ATOM 0 HA THR A 85 -14.892 0.664 -6.352 1.00 2.69 H new ATOM 0 HB THR A 85 -15.124 1.062 -3.856 1.00 3.20 H new ATOM 0 HG1 THR A 85 -13.172 3.107 -4.103 1.00 3.79 H new ATOM 0 HG21 THR A 85 -12.729 0.674 -3.388 1.00 2.93 H new ATOM 0 HG22 THR A 85 -13.291 -0.275 -4.785 1.00 2.93 H new ATOM 0 HG23 THR A 85 -12.328 1.199 -5.040 1.00 2.93 H new TER 1123 THR A 85