USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 838 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 50 TYR OH : rot -71:sc= 0.666 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.621 K(o=1.3,f=-0.34) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 156:sc= 2.05 (180deg=0) USER MOD Set 2.2: A 64 SER OG : rot 151:sc= 0.737 USER MOD Set 2.3: A 89 ASN : amide:sc= 0.668 K(o=3.5,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.117 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.102 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.81) USER MOD Single : A 29 THR OG1 : rot -130:sc= 0.97 USER MOD Single : A 31 GLN : amide:sc= 1.07 K(o=1.1,f=-0.073) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 34 SER OG : rot 180:sc= 0.111 USER MOD Single : A 35 THR OG1 : rot 119:sc= 0.718 USER MOD Single : A 41 SER OG : rot 180:sc= -0.191 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.7!) USER MOD Single : A 65 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 107:sc= 1.25 USER MOD Single : A 83 GLN : amide:sc= -1.9! C(o=-1.9!,f=-6.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 95 SER OG : rot 85:sc= 0.781 USER MOD Single : A 98 SER OG : rot -23:sc= 0.637 USER MOD Single : A 102 HIS : no HE2:sc= 1.03 K(o=1,f=-5.4!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0727 USER MOD Single : A 107 THR OG1 : rot -42:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.583 -4.599 4.160 1.00 8.29 N ATOM 2 CA GLY A 1 26.626 -4.812 3.050 1.00 7.86 C ATOM 3 C GLY A 1 26.497 -3.583 2.173 1.00 7.10 C ATOM 4 O GLY A 1 27.125 -2.559 2.448 1.00 7.08 O ATOM 0 H1 GLY A 1 28.261 -5.387 4.190 1.00 8.29 H new ATOM 0 H2 GLY A 1 28.096 -3.707 4.010 1.00 8.29 H new ATOM 0 H3 GLY A 1 27.065 -4.554 5.061 1.00 8.29 H new ATOM 0 HA2 GLY A 1 26.954 -5.657 2.445 1.00 7.86 H new ATOM 0 HA3 GLY A 1 25.649 -5.072 3.458 1.00 7.86 H new ATOM 10 N PRO A 2 25.687 -3.648 1.107 1.00 6.73 N ATOM 11 CA PRO A 2 25.491 -2.518 0.196 1.00 6.29 C ATOM 12 C PRO A 2 24.639 -1.413 0.816 1.00 5.85 C ATOM 13 O PRO A 2 24.040 -1.597 1.880 1.00 6.07 O ATOM 14 CB PRO A 2 24.762 -3.146 -0.993 1.00 6.38 C ATOM 15 CG PRO A 2 24.040 -4.315 -0.420 1.00 6.76 C ATOM 16 CD PRO A 2 24.897 -4.828 0.705 1.00 7.06 C ATOM 0 HA PRO A 2 26.434 -2.038 -0.066 1.00 6.29 H new ATOM 0 HB2 PRO A 2 24.070 -2.439 -1.451 1.00 6.38 H new ATOM 0 HB3 PRO A 2 25.463 -3.455 -1.769 1.00 6.38 H new ATOM 0 HG2 PRO A 2 23.054 -4.024 -0.057 1.00 6.76 H new ATOM 0 HG3 PRO A 2 23.887 -5.086 -1.175 1.00 6.76 H new ATOM 0 HD2 PRO A 2 24.292 -5.205 1.530 1.00 7.06 H new ATOM 0 HD3 PRO A 2 25.538 -5.647 0.379 1.00 7.06 H new ATOM 24 N LEU A 3 24.574 -0.278 0.136 1.00 5.64 N ATOM 25 CA LEU A 3 23.771 0.845 0.595 1.00 5.68 C ATOM 26 C LEU A 3 22.526 0.983 -0.268 1.00 5.29 C ATOM 27 O LEU A 3 22.611 0.969 -1.498 1.00 5.56 O ATOM 28 CB LEU A 3 24.591 2.141 0.551 1.00 6.31 C ATOM 29 CG LEU A 3 24.836 2.807 1.907 1.00 6.71 C ATOM 30 CD1 LEU A 3 25.385 1.801 2.907 1.00 7.00 C ATOM 31 CD2 LEU A 3 25.792 3.980 1.753 1.00 7.22 C ATOM 0 H LEU A 3 25.070 -0.110 -0.739 1.00 5.64 H new ATOM 0 HA LEU A 3 23.468 0.660 1.626 1.00 5.68 H new ATOM 0 HB2 LEU A 3 25.555 1.926 0.091 1.00 6.31 H new ATOM 0 HB3 LEU A 3 24.080 2.853 -0.098 1.00 6.31 H new ATOM 0 HG LEU A 3 23.884 3.180 2.285 1.00 6.71 H new ATOM 0 HD11 LEU A 3 25.552 2.294 3.865 1.00 7.00 H new ATOM 0 HD12 LEU A 3 24.669 0.989 3.037 1.00 7.00 H new ATOM 0 HD13 LEU A 3 26.328 1.397 2.537 1.00 7.00 H new ATOM 0 HD21 LEU A 3 25.957 4.445 2.725 1.00 7.22 H new ATOM 0 HD22 LEU A 3 26.742 3.625 1.354 1.00 7.22 H new ATOM 0 HD23 LEU A 3 25.362 4.712 1.069 1.00 7.22 H new ATOM 43 N GLY A 4 21.366 1.046 0.375 1.00 4.99 N ATOM 44 CA GLY A 4 20.114 1.140 -0.352 1.00 4.95 C ATOM 45 C GLY A 4 19.607 -0.215 -0.798 1.00 4.12 C ATOM 46 O GLY A 4 18.516 -0.639 -0.416 1.00 4.21 O ATOM 0 H GLY A 4 21.270 1.034 1.390 1.00 4.99 H new ATOM 0 HA2 GLY A 4 19.364 1.616 0.280 1.00 4.95 H new ATOM 0 HA3 GLY A 4 20.250 1.780 -1.224 1.00 4.95 H new ATOM 50 N SER A 5 20.428 -0.923 -1.559 1.00 3.64 N ATOM 51 CA SER A 5 20.088 -2.251 -2.045 1.00 3.04 C ATOM 52 C SER A 5 20.296 -3.307 -0.957 1.00 2.18 C ATOM 53 O SER A 5 20.890 -4.355 -1.196 1.00 2.49 O ATOM 54 CB SER A 5 20.951 -2.571 -3.262 1.00 3.40 C ATOM 55 OG SER A 5 21.682 -1.420 -3.676 1.00 4.18 O ATOM 0 H SER A 5 21.347 -0.594 -1.856 1.00 3.64 H new ATOM 0 HA SER A 5 19.034 -2.266 -2.324 1.00 3.04 H new ATOM 0 HB2 SER A 5 21.641 -3.380 -3.022 1.00 3.40 H new ATOM 0 HB3 SER A 5 20.321 -2.921 -4.079 1.00 3.40 H new ATOM 0 HG SER A 5 22.231 -1.644 -4.456 1.00 4.18 H new ATOM 61 N VAL A 6 19.821 -3.009 0.243 1.00 1.77 N ATOM 62 CA VAL A 6 19.975 -3.907 1.378 1.00 1.55 C ATOM 63 C VAL A 6 18.652 -4.021 2.144 1.00 1.64 C ATOM 64 O VAL A 6 18.620 -4.400 3.318 1.00 2.57 O ATOM 65 CB VAL A 6 21.120 -3.426 2.306 1.00 2.21 C ATOM 66 CG1 VAL A 6 20.731 -2.161 3.060 1.00 2.77 C ATOM 67 CG2 VAL A 6 21.547 -4.527 3.267 1.00 2.87 C ATOM 0 H VAL A 6 19.322 -2.145 0.457 1.00 1.77 H new ATOM 0 HA VAL A 6 20.242 -4.897 1.008 1.00 1.55 H new ATOM 0 HB VAL A 6 21.974 -3.183 1.674 1.00 2.21 H new ATOM 0 HG11 VAL A 6 21.556 -1.851 3.701 1.00 2.77 H new ATOM 0 HG12 VAL A 6 20.507 -1.367 2.348 1.00 2.77 H new ATOM 0 HG13 VAL A 6 19.851 -2.358 3.672 1.00 2.77 H new ATOM 0 HG21 VAL A 6 22.351 -4.161 3.905 1.00 2.87 H new ATOM 0 HG22 VAL A 6 20.698 -4.820 3.885 1.00 2.87 H new ATOM 0 HG23 VAL A 6 21.898 -5.389 2.700 1.00 2.87 H new ATOM 77 N LYS A 7 17.563 -3.734 1.425 1.00 1.09 N ATOM 78 CA LYS A 7 16.198 -3.833 1.950 1.00 1.10 C ATOM 79 C LYS A 7 15.867 -2.663 2.879 1.00 0.91 C ATOM 80 O LYS A 7 16.580 -2.398 3.847 1.00 0.98 O ATOM 81 CB LYS A 7 15.975 -5.167 2.676 1.00 1.37 C ATOM 82 CG LYS A 7 14.543 -5.383 3.131 1.00 1.06 C ATOM 83 CD LYS A 7 14.422 -6.588 4.046 1.00 1.05 C ATOM 84 CE LYS A 7 14.215 -6.166 5.489 1.00 1.34 C ATOM 85 NZ LYS A 7 15.042 -6.972 6.425 1.00 2.06 N ATOM 0 H LYS A 7 17.604 -3.424 0.454 1.00 1.09 H new ATOM 0 HA LYS A 7 15.523 -3.789 1.095 1.00 1.10 H new ATOM 0 HB2 LYS A 7 16.263 -5.983 2.014 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.633 -5.213 3.544 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.188 -4.493 3.651 1.00 1.06 H new ATOM 0 HG3 LYS A 7 13.901 -5.521 2.261 1.00 1.06 H new ATOM 0 HD2 LYS A 7 13.587 -7.210 3.723 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.322 -7.198 3.969 1.00 1.05 H new ATOM 0 HE2 LYS A 7 14.466 -5.111 5.599 1.00 1.34 H new ATOM 0 HE3 LYS A 7 13.162 -6.272 5.751 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 14.872 -6.653 7.400 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 14.785 -7.976 6.339 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 16.048 -6.851 6.191 1.00 2.06 H new ATOM 99 N PRO A 8 14.765 -1.952 2.592 1.00 0.74 N ATOM 100 CA PRO A 8 14.313 -0.831 3.414 1.00 0.60 C ATOM 101 C PRO A 8 13.581 -1.302 4.668 1.00 0.52 C ATOM 102 O PRO A 8 13.471 -2.503 4.923 1.00 0.60 O ATOM 103 CB PRO A 8 13.358 -0.093 2.481 1.00 0.61 C ATOM 104 CG PRO A 8 12.776 -1.162 1.620 1.00 0.84 C ATOM 105 CD PRO A 8 13.850 -2.210 1.463 1.00 0.81 C ATOM 0 HA PRO A 8 15.137 -0.218 3.779 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.583 0.432 3.040 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.883 0.654 1.886 1.00 0.61 H new ATOM 0 HG2 PRO A 8 11.882 -1.586 2.078 1.00 0.84 H new ATOM 0 HG3 PRO A 8 12.478 -0.762 0.651 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.435 -3.217 1.507 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.362 -2.118 0.505 1.00 0.81 H new ATOM 113 N ASP A 9 13.070 -0.357 5.441 1.00 0.44 N ATOM 114 CA ASP A 9 12.305 -0.690 6.635 1.00 0.48 C ATOM 115 C ASP A 9 10.823 -0.779 6.292 1.00 0.41 C ATOM 116 O ASP A 9 10.423 -0.383 5.196 1.00 0.41 O ATOM 117 CB ASP A 9 12.524 0.370 7.713 1.00 0.61 C ATOM 118 CG ASP A 9 13.545 -0.049 8.747 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.254 -0.961 9.548 1.00 1.19 O ATOM 120 OD2 ASP A 9 14.642 0.547 8.774 1.00 1.53 O ATOM 0 H ASP A 9 13.170 0.643 5.265 1.00 0.44 H new ATOM 0 HA ASP A 9 12.644 -1.654 7.013 1.00 0.48 H new ATOM 0 HB2 ASP A 9 12.849 1.298 7.243 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.576 0.579 8.209 1.00 0.61 H new ATOM 125 N PRO A 10 9.972 -1.247 7.224 1.00 0.56 N ATOM 126 CA PRO A 10 8.527 -1.269 7.011 1.00 0.74 C ATOM 127 C PRO A 10 7.979 0.139 6.786 1.00 0.67 C ATOM 128 O PRO A 10 8.355 1.078 7.495 1.00 0.97 O ATOM 129 CB PRO A 10 7.966 -1.856 8.313 1.00 1.05 C ATOM 130 CG PRO A 10 9.119 -2.536 8.962 1.00 1.12 C ATOM 131 CD PRO A 10 10.330 -1.748 8.561 1.00 0.78 C ATOM 0 HA PRO A 10 8.251 -1.846 6.129 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.558 -1.074 8.954 1.00 1.05 H new ATOM 0 HB3 PRO A 10 7.157 -2.558 8.112 1.00 1.05 H new ATOM 0 HG2 PRO A 10 9.004 -2.554 10.046 1.00 1.12 H new ATOM 0 HG3 PRO A 10 9.199 -3.572 8.633 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.530 -0.933 9.257 1.00 0.78 H new ATOM 0 HD3 PRO A 10 11.225 -2.370 8.533 1.00 0.78 H new ATOM 139 N PRO A 11 7.100 0.298 5.782 1.00 0.37 N ATOM 140 CA PRO A 11 6.477 1.581 5.431 1.00 0.38 C ATOM 141 C PRO A 11 5.971 2.347 6.651 1.00 0.28 C ATOM 142 O PRO A 11 5.468 1.754 7.608 1.00 0.35 O ATOM 143 CB PRO A 11 5.295 1.174 4.533 1.00 0.50 C ATOM 144 CG PRO A 11 5.227 -0.319 4.606 1.00 0.64 C ATOM 145 CD PRO A 11 6.624 -0.771 4.910 1.00 0.41 C ATOM 0 HA PRO A 11 7.189 2.252 4.951 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.366 1.626 4.880 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.449 1.509 3.507 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.533 -0.642 5.382 1.00 0.64 H new ATOM 0 HG3 PRO A 11 4.874 -0.742 3.665 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.641 -1.741 5.406 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.229 -0.863 4.008 1.00 0.41 H new ATOM 153 N GLU A 12 6.101 3.662 6.606 1.00 0.28 N ATOM 154 CA GLU A 12 5.660 4.515 7.697 1.00 0.30 C ATOM 155 C GLU A 12 4.451 5.331 7.268 1.00 0.28 C ATOM 156 O GLU A 12 4.230 5.525 6.075 1.00 0.31 O ATOM 157 CB GLU A 12 6.793 5.448 8.119 1.00 0.47 C ATOM 158 CG GLU A 12 7.397 5.102 9.470 1.00 0.98 C ATOM 159 CD GLU A 12 7.177 6.192 10.496 1.00 1.58 C ATOM 160 OE1 GLU A 12 7.300 7.384 10.141 1.00 2.09 O ATOM 161 OE2 GLU A 12 6.883 5.865 11.664 1.00 2.11 O ATOM 0 H GLU A 12 6.512 4.165 5.819 1.00 0.28 H new ATOM 0 HA GLU A 12 5.380 3.888 8.543 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.577 5.419 7.362 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.417 6.471 8.150 1.00 0.47 H new ATOM 0 HG2 GLU A 12 6.960 4.172 9.833 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.467 4.927 9.353 1.00 0.98 H new ATOM 168 N ASN A 13 3.688 5.816 8.243 1.00 0.33 N ATOM 169 CA ASN A 13 2.523 6.668 7.976 1.00 0.37 C ATOM 170 C ASN A 13 1.549 5.983 7.016 1.00 0.32 C ATOM 171 O ASN A 13 1.030 6.604 6.091 1.00 0.35 O ATOM 172 CB ASN A 13 2.980 8.007 7.388 1.00 0.45 C ATOM 173 CG ASN A 13 2.021 9.146 7.674 1.00 0.62 C ATOM 174 OD1 ASN A 13 0.846 8.932 7.972 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.520 10.370 7.588 1.00 1.01 N ATOM 0 H ASN A 13 3.853 5.635 9.233 1.00 0.33 H new ATOM 0 HA ASN A 13 2.005 6.844 8.919 1.00 0.37 H new ATOM 0 HB2 ASN A 13 3.961 8.257 7.792 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.097 7.901 6.309 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.925 11.178 7.772 1.00 1.01 H new ATOM 0 HD22 ASN A 13 3.500 10.505 7.338 1.00 1.01 H new ATOM 182 N VAL A 14 1.369 4.684 7.197 1.00 0.30 N ATOM 183 CA VAL A 14 0.544 3.894 6.291 1.00 0.29 C ATOM 184 C VAL A 14 -0.907 3.869 6.746 1.00 0.32 C ATOM 185 O VAL A 14 -1.233 3.269 7.772 1.00 0.47 O ATOM 186 CB VAL A 14 1.048 2.440 6.172 1.00 0.34 C ATOM 187 CG1 VAL A 14 1.100 2.013 4.719 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.413 2.278 6.823 1.00 0.69 C ATOM 0 H VAL A 14 1.783 4.152 7.963 1.00 0.30 H new ATOM 0 HA VAL A 14 0.615 4.376 5.316 1.00 0.29 H new ATOM 0 HB VAL A 14 0.344 1.796 6.700 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.458 0.985 4.654 1.00 0.45 H new ATOM 0 HG12 VAL A 14 0.102 2.078 4.285 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.778 2.668 4.171 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.743 1.244 6.724 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.130 2.936 6.333 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.345 2.538 7.879 1.00 0.69 H new ATOM 198 N VAL A 15 -1.772 4.531 5.990 1.00 0.27 N ATOM 199 CA VAL A 15 -3.191 4.572 6.314 1.00 0.35 C ATOM 200 C VAL A 15 -4.038 4.668 5.050 1.00 0.34 C ATOM 201 O VAL A 15 -3.717 5.417 4.124 1.00 0.39 O ATOM 202 CB VAL A 15 -3.544 5.760 7.241 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.547 5.326 8.697 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.586 6.925 7.031 1.00 1.48 C ATOM 0 H VAL A 15 -1.516 5.047 5.148 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.412 3.642 6.838 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.547 6.098 6.981 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.798 6.177 9.330 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.286 4.537 8.840 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.560 4.951 8.967 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.859 7.745 7.696 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.568 6.603 7.251 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.645 7.262 5.996 1.00 1.48 H new ATOM 214 N ALA A 16 -5.173 3.989 5.061 1.00 0.35 N ATOM 215 CA ALA A 16 -6.140 4.094 3.981 1.00 0.38 C ATOM 216 C ALA A 16 -7.267 5.013 4.422 1.00 0.36 C ATOM 217 O ALA A 16 -7.673 4.976 5.583 1.00 0.39 O ATOM 218 CB ALA A 16 -6.674 2.722 3.606 1.00 0.45 C ATOM 0 H ALA A 16 -5.448 3.355 5.811 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.659 4.511 3.096 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.396 2.822 2.796 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.850 2.087 3.281 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -7.160 2.271 4.472 1.00 0.45 H new ATOM 224 N ARG A 17 -7.653 5.945 3.567 1.00 0.37 N ATOM 225 CA ARG A 17 -8.591 6.978 3.982 1.00 0.37 C ATOM 226 C ARG A 17 -9.799 7.047 3.061 1.00 0.35 C ATOM 227 O ARG A 17 -9.662 7.233 1.855 1.00 0.48 O ATOM 228 CB ARG A 17 -7.888 8.334 4.027 1.00 0.50 C ATOM 229 CG ARG A 17 -7.474 8.754 5.427 1.00 1.21 C ATOM 230 CD ARG A 17 -6.067 8.284 5.765 1.00 1.69 C ATOM 231 NE ARG A 17 -5.053 8.900 4.909 1.00 2.32 N ATOM 232 CZ ARG A 17 -4.429 10.044 5.193 1.00 3.06 C ATOM 233 NH1 ARG A 17 -4.730 10.715 6.297 1.00 3.37 N ATOM 234 NH2 ARG A 17 -3.507 10.512 4.367 1.00 3.99 N ATOM 0 H ARG A 17 -7.339 6.010 2.599 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.950 6.720 4.978 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.004 8.298 3.390 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.550 9.092 3.609 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -7.524 9.840 5.511 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -8.178 8.345 6.152 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -5.849 8.517 6.807 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -6.015 7.200 5.663 1.00 1.69 H new ATOM 0 HE ARG A 17 -4.808 8.425 4.040 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -5.442 10.357 6.934 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -4.250 11.589 6.509 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -3.276 9.998 3.517 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -3.028 11.387 4.581 1.00 3.99 H new ATOM 248 N PRO A 18 -11.004 6.930 3.631 1.00 0.31 N ATOM 249 CA PRO A 18 -12.250 7.038 2.872 1.00 0.38 C ATOM 250 C PRO A 18 -12.462 8.448 2.330 1.00 0.39 C ATOM 251 O PRO A 18 -12.072 9.436 2.964 1.00 0.46 O ATOM 252 CB PRO A 18 -13.328 6.695 3.897 1.00 0.49 C ATOM 253 CG PRO A 18 -12.716 7.003 5.218 1.00 0.57 C ATOM 254 CD PRO A 18 -11.247 6.723 5.071 1.00 0.43 C ATOM 0 HA PRO A 18 -12.257 6.384 2.000 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.230 7.284 3.733 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.616 5.646 3.831 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -12.889 8.043 5.495 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.154 6.387 6.004 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.646 7.397 5.681 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.998 5.707 5.379 1.00 0.43 H new ATOM 262 N VAL A 19 -13.006 8.536 1.131 1.00 0.40 N ATOM 263 CA VAL A 19 -13.207 9.818 0.485 1.00 0.45 C ATOM 264 C VAL A 19 -14.692 10.141 0.361 1.00 0.48 C ATOM 265 O VAL A 19 -15.422 9.471 -0.365 1.00 0.47 O ATOM 266 CB VAL A 19 -12.558 9.836 -0.912 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.733 11.193 -1.574 1.00 0.59 C ATOM 268 CG2 VAL A 19 -11.084 9.474 -0.810 1.00 0.52 C ATOM 0 H VAL A 19 -13.317 7.733 0.584 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.732 10.576 1.107 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.058 9.093 -1.534 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.266 11.180 -2.559 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.796 11.412 -1.679 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.263 11.961 -0.960 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.636 9.490 -1.803 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.575 10.196 -0.171 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.983 8.476 -0.382 1.00 0.52 H new ATOM 278 N PRO A 20 -15.156 11.187 1.056 1.00 0.58 N ATOM 279 CA PRO A 20 -16.553 11.621 0.985 1.00 0.69 C ATOM 280 C PRO A 20 -16.950 11.999 -0.437 1.00 0.70 C ATOM 281 O PRO A 20 -16.126 12.511 -1.201 1.00 1.27 O ATOM 282 CB PRO A 20 -16.603 12.848 1.903 1.00 0.84 C ATOM 283 CG PRO A 20 -15.404 12.722 2.779 1.00 0.97 C ATOM 284 CD PRO A 20 -14.358 12.045 1.944 1.00 0.67 C ATOM 0 HA PRO A 20 -17.245 10.834 1.284 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.576 13.773 1.327 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -17.521 12.865 2.490 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -15.062 13.700 3.117 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -15.631 12.138 3.671 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.761 12.764 1.383 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.667 11.464 2.554 1.00 0.67 H new ATOM 292 N SER A 21 -18.186 11.658 -0.804 1.00 0.80 N ATOM 293 CA SER A 21 -18.722 11.893 -2.149 1.00 0.85 C ATOM 294 C SER A 21 -18.146 10.908 -3.173 1.00 0.65 C ATOM 295 O SER A 21 -18.607 10.847 -4.315 1.00 0.69 O ATOM 296 CB SER A 21 -18.479 13.341 -2.595 1.00 1.07 C ATOM 297 OG SER A 21 -18.800 14.254 -1.553 1.00 1.49 O ATOM 0 H SER A 21 -18.849 11.208 -0.173 1.00 0.80 H new ATOM 0 HA SER A 21 -19.798 11.724 -2.099 1.00 0.85 H new ATOM 0 HB2 SER A 21 -17.436 13.466 -2.885 1.00 1.07 H new ATOM 0 HB3 SER A 21 -19.083 13.561 -3.475 1.00 1.07 H new ATOM 0 HG SER A 21 -18.636 15.170 -1.859 1.00 1.49 H new ATOM 303 N ASN A 22 -17.211 10.072 -2.736 1.00 0.55 N ATOM 304 CA ASN A 22 -16.637 9.043 -3.595 1.00 0.44 C ATOM 305 C ASN A 22 -16.610 7.705 -2.858 1.00 0.40 C ATOM 306 O ASN A 22 -15.629 7.369 -2.197 1.00 0.43 O ATOM 307 CB ASN A 22 -15.225 9.439 -4.031 1.00 0.57 C ATOM 308 CG ASN A 22 -14.996 9.231 -5.516 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.203 8.140 -6.045 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.552 10.276 -6.197 1.00 1.28 N ATOM 0 H ASN A 22 -16.833 10.087 -1.789 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.257 8.942 -4.486 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.052 10.486 -3.783 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.497 8.854 -3.469 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.369 10.193 -7.197 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.393 11.164 -5.722 1.00 1.28 H new ATOM 317 N PRO A 23 -17.733 6.969 -2.901 1.00 0.40 N ATOM 318 CA PRO A 23 -17.910 5.721 -2.145 1.00 0.43 C ATOM 319 C PRO A 23 -16.779 4.719 -2.340 1.00 0.48 C ATOM 320 O PRO A 23 -16.297 4.129 -1.379 1.00 0.98 O ATOM 321 CB PRO A 23 -19.208 5.143 -2.705 1.00 0.56 C ATOM 322 CG PRO A 23 -19.961 6.306 -3.247 1.00 0.70 C ATOM 323 CD PRO A 23 -18.950 7.348 -3.637 1.00 0.48 C ATOM 0 HA PRO A 23 -17.924 5.920 -1.073 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.006 4.409 -3.485 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -19.778 4.634 -1.928 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.559 6.009 -4.108 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.651 6.700 -2.500 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.779 7.352 -4.713 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.285 8.349 -3.364 1.00 0.48 H new ATOM 331 N ARG A 24 -16.446 4.440 -3.588 1.00 0.31 N ATOM 332 CA ARG A 24 -15.485 3.392 -3.899 1.00 0.27 C ATOM 333 C ARG A 24 -14.046 3.886 -3.808 1.00 0.26 C ATOM 334 O ARG A 24 -13.111 3.157 -4.140 1.00 0.31 O ATOM 335 CB ARG A 24 -15.756 2.838 -5.298 1.00 0.35 C ATOM 336 CG ARG A 24 -16.593 1.576 -5.282 1.00 0.37 C ATOM 337 CD ARG A 24 -17.131 1.228 -6.656 1.00 0.62 C ATOM 338 NE ARG A 24 -17.723 -0.106 -6.673 1.00 1.27 N ATOM 339 CZ ARG A 24 -17.129 -1.182 -7.188 1.00 2.02 C ATOM 340 NH1 ARG A 24 -15.955 -1.073 -7.797 1.00 2.44 N ATOM 341 NH2 ARG A 24 -17.714 -2.368 -7.092 1.00 2.86 N ATOM 0 H ARG A 24 -16.825 4.923 -4.403 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.608 2.603 -3.157 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.265 3.598 -5.891 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.806 2.631 -5.791 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.991 0.747 -4.909 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.425 1.703 -4.589 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -17.879 1.963 -6.953 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.325 1.280 -7.388 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.650 -0.222 -6.265 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -15.502 -0.162 -7.873 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -15.505 -1.900 -8.189 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -18.617 -2.455 -6.625 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -17.262 -3.193 -7.485 1.00 2.86 H new ATOM 355 N ARG A 25 -13.870 5.136 -3.412 1.00 0.23 N ATOM 356 CA ARG A 25 -12.542 5.731 -3.379 1.00 0.26 C ATOM 357 C ARG A 25 -11.881 5.595 -2.011 1.00 0.24 C ATOM 358 O ARG A 25 -12.244 6.288 -1.056 1.00 0.24 O ATOM 359 CB ARG A 25 -12.601 7.203 -3.781 1.00 0.32 C ATOM 360 CG ARG A 25 -11.355 7.686 -4.506 1.00 0.51 C ATOM 361 CD ARG A 25 -11.057 9.143 -4.196 1.00 0.80 C ATOM 362 NE ARG A 25 -10.994 9.960 -5.404 1.00 1.32 N ATOM 363 CZ ARG A 25 -10.368 11.136 -5.479 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.725 11.632 -4.426 1.00 2.14 N ATOM 365 NH2 ARG A 25 -10.366 11.817 -6.614 1.00 2.31 N ATOM 0 H ARG A 25 -14.623 5.755 -3.111 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.933 5.183 -4.098 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.468 7.362 -4.422 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.749 7.809 -2.888 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.503 7.070 -4.217 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.488 7.562 -5.581 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.827 9.537 -3.532 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.109 9.213 -3.662 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.457 9.610 -6.243 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -9.707 11.112 -3.548 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -9.250 12.532 -4.496 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -10.844 11.443 -7.434 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -9.887 12.716 -6.669 1.00 2.31 H new ATOM 379 N LEU A 26 -10.805 4.825 -1.980 1.00 0.29 N ATOM 380 CA LEU A 26 -9.947 4.745 -0.808 1.00 0.35 C ATOM 381 C LEU A 26 -8.646 5.483 -1.092 1.00 0.39 C ATOM 382 O LEU A 26 -7.847 5.052 -1.929 1.00 0.44 O ATOM 383 CB LEU A 26 -9.635 3.287 -0.437 1.00 0.44 C ATOM 384 CG LEU A 26 -10.523 2.664 0.650 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.946 1.335 1.109 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.677 3.604 1.832 1.00 0.43 C ATOM 0 H LEU A 26 -10.503 4.242 -2.760 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.470 5.203 0.032 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.716 2.678 -1.338 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.598 3.231 -0.107 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.510 2.491 0.221 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.587 0.907 1.879 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.890 0.651 0.262 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.947 1.493 1.515 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.310 3.138 2.587 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.697 3.814 2.260 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.135 4.536 1.499 1.00 0.43 H new ATOM 398 N GLU A 27 -8.451 6.606 -0.424 1.00 0.41 N ATOM 399 CA GLU A 27 -7.249 7.400 -0.604 1.00 0.47 C ATOM 400 C GLU A 27 -6.126 6.856 0.269 1.00 0.41 C ATOM 401 O GLU A 27 -5.893 7.326 1.384 1.00 0.48 O ATOM 402 CB GLU A 27 -7.520 8.868 -0.273 1.00 0.51 C ATOM 403 CG GLU A 27 -7.633 9.748 -1.505 1.00 0.99 C ATOM 404 CD GLU A 27 -7.711 11.221 -1.165 1.00 1.26 C ATOM 405 OE1 GLU A 27 -7.004 11.657 -0.232 1.00 1.63 O ATOM 406 OE2 GLU A 27 -8.479 11.946 -1.829 1.00 1.82 O ATOM 0 H GLU A 27 -9.113 6.990 0.251 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.943 7.336 -1.648 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -8.443 8.940 0.303 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.718 9.245 0.362 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -6.773 9.573 -2.151 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -8.520 9.462 -2.071 1.00 0.99 H new ATOM 413 N VAL A 28 -5.486 5.808 -0.214 1.00 0.40 N ATOM 414 CA VAL A 28 -4.419 5.160 0.520 1.00 0.38 C ATOM 415 C VAL A 28 -3.157 6.004 0.455 1.00 0.35 C ATOM 416 O VAL A 28 -2.734 6.423 -0.622 1.00 0.42 O ATOM 417 CB VAL A 28 -4.146 3.749 -0.044 1.00 0.49 C ATOM 418 CG1 VAL A 28 -2.919 3.127 0.595 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.362 2.859 0.147 1.00 0.68 C ATOM 0 H VAL A 28 -5.690 5.385 -1.120 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.727 5.059 1.561 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.949 3.845 -1.112 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.754 2.134 0.176 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.049 3.753 0.397 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.071 3.046 1.671 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -5.154 1.868 -0.256 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.591 2.778 1.210 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -6.215 3.291 -0.376 1.00 0.68 H new ATOM 429 N THR A 29 -2.611 6.327 1.612 1.00 0.31 N ATOM 430 CA THR A 29 -1.440 7.178 1.681 1.00 0.30 C ATOM 431 C THR A 29 -0.433 6.638 2.688 1.00 0.28 C ATOM 432 O THR A 29 -0.812 6.128 3.746 1.00 0.31 O ATOM 433 CB THR A 29 -1.823 8.614 2.071 1.00 0.35 C ATOM 434 OG1 THR A 29 -3.236 8.699 2.322 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.438 9.597 0.978 1.00 0.59 C ATOM 0 H THR A 29 -2.960 6.012 2.517 1.00 0.31 H new ATOM 0 HA THR A 29 -0.987 7.186 0.690 1.00 0.30 H new ATOM 0 HB THR A 29 -1.277 8.874 2.978 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.612 9.453 1.822 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.720 10.606 1.280 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.361 9.555 0.814 1.00 0.59 H new ATOM 0 HG23 THR A 29 -1.956 9.336 0.055 1.00 0.59 H new ATOM 443 N TRP A 30 0.843 6.757 2.358 1.00 0.27 N ATOM 444 CA TRP A 30 1.910 6.301 3.233 1.00 0.28 C ATOM 445 C TRP A 30 3.168 7.117 2.992 1.00 0.27 C ATOM 446 O TRP A 30 3.199 7.968 2.106 1.00 0.33 O ATOM 447 CB TRP A 30 2.195 4.811 3.011 1.00 0.29 C ATOM 448 CG TRP A 30 2.677 4.485 1.629 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.973 4.408 1.206 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.866 4.184 0.488 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.016 4.084 -0.127 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.737 3.938 -0.590 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.490 4.098 0.272 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.277 3.616 -1.860 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.036 3.777 -0.990 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.926 3.537 -2.041 1.00 0.46 C ATOM 0 H TRP A 30 1.166 7.169 1.483 1.00 0.27 H new ATOM 0 HA TRP A 30 1.591 6.439 4.266 1.00 0.28 H new ATOM 0 HB2 TRP A 30 2.942 4.482 3.733 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.286 4.243 3.212 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.838 4.577 1.830 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.864 3.970 -0.682 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.206 4.279 1.078 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.963 3.435 -2.675 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.027 3.710 -1.170 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.537 3.284 -3.016 1.00 0.46 H new ATOM 467 N GLN A 31 4.203 6.831 3.762 1.00 0.28 N ATOM 468 CA GLN A 31 5.490 7.491 3.622 1.00 0.29 C ATOM 469 C GLN A 31 6.605 6.461 3.770 1.00 0.29 C ATOM 470 O GLN A 31 6.359 5.328 4.195 1.00 0.29 O ATOM 471 CB GLN A 31 5.647 8.590 4.681 1.00 0.32 C ATOM 472 CG GLN A 31 4.635 9.720 4.555 1.00 0.64 C ATOM 473 CD GLN A 31 4.927 10.650 3.395 1.00 0.85 C ATOM 474 OE1 GLN A 31 5.811 11.503 3.471 1.00 1.65 O ATOM 475 NE2 GLN A 31 4.191 10.488 2.308 1.00 0.79 N ATOM 0 H GLN A 31 4.175 6.132 4.505 1.00 0.28 H new ATOM 0 HA GLN A 31 5.548 7.952 2.636 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.555 8.142 5.671 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.652 9.006 4.611 1.00 0.32 H new ATOM 0 HG2 GLN A 31 3.639 9.296 4.431 1.00 0.64 H new ATOM 0 HG3 GLN A 31 4.624 10.295 5.481 1.00 0.64 H new ATOM 0 HE21 GLN A 31 3.468 9.769 2.284 1.00 0.79 H new ATOM 0 HE22 GLN A 31 4.347 11.082 1.493 1.00 0.79 H new ATOM 484 N THR A 32 7.831 6.858 3.469 1.00 0.34 N ATOM 485 CA THR A 32 8.965 5.969 3.638 1.00 0.36 C ATOM 486 C THR A 32 9.375 5.922 5.105 1.00 0.41 C ATOM 487 O THR A 32 9.015 6.809 5.883 1.00 0.49 O ATOM 488 CB THR A 32 10.166 6.410 2.778 1.00 0.42 C ATOM 489 OG1 THR A 32 10.260 7.843 2.761 1.00 0.49 O ATOM 490 CG2 THR A 32 10.028 5.895 1.356 1.00 0.49 C ATOM 0 H THR A 32 8.064 7.784 3.109 1.00 0.34 H new ATOM 0 HA THR A 32 8.660 4.976 3.308 1.00 0.36 H new ATOM 0 HB THR A 32 11.071 5.991 3.217 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.027 8.114 2.214 1.00 0.49 H new ATOM 0 HG21 THR A 32 10.886 6.218 0.767 1.00 0.49 H new ATOM 0 HG22 THR A 32 9.984 4.806 1.366 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.114 6.291 0.913 1.00 0.49 H new ATOM 498 N PRO A 33 10.081 4.863 5.519 1.00 0.39 N ATOM 499 CA PRO A 33 10.511 4.694 6.911 1.00 0.46 C ATOM 500 C PRO A 33 11.413 5.832 7.378 1.00 0.56 C ATOM 501 O PRO A 33 12.168 6.400 6.585 1.00 0.60 O ATOM 502 CB PRO A 33 11.295 3.382 6.892 1.00 0.46 C ATOM 503 CG PRO A 33 10.829 2.669 5.673 1.00 0.42 C ATOM 504 CD PRO A 33 10.488 3.731 4.675 1.00 0.35 C ATOM 0 HA PRO A 33 9.663 4.691 7.596 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.369 3.565 6.855 1.00 0.46 H new ATOM 0 HB3 PRO A 33 11.102 2.795 7.790 1.00 0.46 H new ATOM 0 HG2 PRO A 33 11.605 2.007 5.288 1.00 0.42 H new ATOM 0 HG3 PRO A 33 9.961 2.048 5.893 1.00 0.42 H new ATOM 0 HD2 PRO A 33 11.342 3.983 4.047 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.685 3.415 4.009 1.00 0.35 H new ATOM 512 N SER A 34 11.355 6.141 8.665 1.00 0.66 N ATOM 513 CA SER A 34 12.174 7.200 9.236 1.00 0.80 C ATOM 514 C SER A 34 13.655 6.834 9.172 1.00 0.86 C ATOM 515 O SER A 34 14.517 7.703 9.020 1.00 0.96 O ATOM 516 CB SER A 34 11.751 7.449 10.682 1.00 0.92 C ATOM 517 OG SER A 34 10.518 6.801 10.964 1.00 1.02 O ATOM 0 H SER A 34 10.747 5.671 9.336 1.00 0.66 H new ATOM 0 HA SER A 34 12.027 8.111 8.655 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.523 7.084 11.360 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.653 8.520 10.858 1.00 0.92 H new ATOM 0 HG SER A 34 10.265 6.971 11.895 1.00 1.02 H new ATOM 523 N THR A 35 13.938 5.540 9.262 1.00 0.82 N ATOM 524 CA THR A 35 15.304 5.045 9.216 1.00 0.91 C ATOM 525 C THR A 35 15.863 5.092 7.795 1.00 0.92 C ATOM 526 O THR A 35 17.076 4.989 7.589 1.00 1.11 O ATOM 527 CB THR A 35 15.377 3.600 9.741 1.00 0.89 C ATOM 528 OG1 THR A 35 14.074 2.996 9.686 1.00 0.85 O ATOM 529 CG2 THR A 35 15.894 3.568 11.170 1.00 1.08 C ATOM 0 H THR A 35 13.232 4.811 9.368 1.00 0.82 H new ATOM 0 HA THR A 35 15.905 5.694 9.853 1.00 0.91 H new ATOM 0 HB THR A 35 16.068 3.040 9.110 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.099 2.217 9.092 1.00 0.85 H new ATOM 0 HG21 THR A 35 15.937 2.536 11.519 1.00 1.08 H new ATOM 0 HG22 THR A 35 16.892 4.004 11.206 1.00 1.08 H new ATOM 0 HG23 THR A 35 15.225 4.140 11.812 1.00 1.08 H new ATOM 537 N TRP A 36 14.978 5.280 6.823 1.00 0.80 N ATOM 538 CA TRP A 36 15.385 5.387 5.432 1.00 0.83 C ATOM 539 C TRP A 36 15.818 6.815 5.118 1.00 1.00 C ATOM 540 O TRP A 36 15.053 7.758 5.312 1.00 1.09 O ATOM 541 CB TRP A 36 14.245 4.966 4.501 1.00 0.74 C ATOM 542 CG TRP A 36 14.711 4.651 3.114 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.458 5.369 1.982 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.525 3.543 2.715 1.00 0.87 C ATOM 545 NE1 TRP A 36 15.068 4.775 0.904 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.724 3.651 1.327 1.00 0.98 C ATOM 547 CE3 TRP A 36 16.104 2.469 3.398 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.478 2.726 0.611 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.852 1.553 2.684 1.00 1.14 C ATOM 550 CH2 TRP A 36 17.033 1.686 1.303 1.00 1.21 C ATOM 0 H TRP A 36 13.973 5.361 6.976 1.00 0.80 H new ATOM 0 HA TRP A 36 16.229 4.717 5.269 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.746 4.091 4.918 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.505 5.765 4.457 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.866 6.271 1.940 1.00 0.86 H new ATOM 0 HE1 TRP A 36 15.037 5.117 -0.057 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.969 2.358 4.464 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.620 2.826 -0.455 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.305 0.720 3.201 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.623 0.953 0.773 1.00 1.21 H new ATOM 561 N PRO A 37 17.079 6.999 4.710 1.00 1.20 N ATOM 562 CA PRO A 37 17.632 8.330 4.448 1.00 1.44 C ATOM 563 C PRO A 37 17.127 8.934 3.133 1.00 1.34 C ATOM 564 O PRO A 37 16.104 9.621 3.107 1.00 1.49 O ATOM 565 CB PRO A 37 19.142 8.079 4.386 1.00 1.76 C ATOM 566 CG PRO A 37 19.282 6.648 3.989 1.00 1.78 C ATOM 567 CD PRO A 37 18.085 5.933 4.553 1.00 1.34 C ATOM 0 HA PRO A 37 17.336 9.050 5.211 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.622 8.738 3.662 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.613 8.268 5.351 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.319 6.548 2.904 1.00 1.78 H new ATOM 0 HG3 PRO A 37 20.207 6.225 4.380 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.735 5.149 3.882 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.316 5.457 5.506 1.00 1.34 H new ATOM 575 N ASP A 38 17.876 8.714 2.058 1.00 1.33 N ATOM 576 CA ASP A 38 17.554 9.284 0.754 1.00 1.35 C ATOM 577 C ASP A 38 16.655 8.348 -0.052 1.00 1.29 C ATOM 578 O ASP A 38 17.088 7.285 -0.498 1.00 1.42 O ATOM 579 CB ASP A 38 18.846 9.562 -0.020 1.00 1.65 C ATOM 580 CG ASP A 38 18.625 10.418 -1.249 1.00 1.90 C ATOM 581 OD1 ASP A 38 17.965 9.950 -2.199 1.00 2.16 O ATOM 582 OD2 ASP A 38 19.140 11.554 -1.287 1.00 2.28 O ATOM 0 H ASP A 38 18.719 8.139 2.065 1.00 1.33 H new ATOM 0 HA ASP A 38 17.014 10.217 0.912 1.00 1.35 H new ATOM 0 HB2 ASP A 38 19.558 10.059 0.639 1.00 1.65 H new ATOM 0 HB3 ASP A 38 19.295 8.615 -0.319 1.00 1.65 H new ATOM 587 N PRO A 39 15.378 8.715 -0.230 1.00 1.31 N ATOM 588 CA PRO A 39 14.417 7.897 -0.954 1.00 1.44 C ATOM 589 C PRO A 39 14.333 8.261 -2.435 1.00 1.61 C ATOM 590 O PRO A 39 13.509 7.718 -3.174 1.00 1.84 O ATOM 591 CB PRO A 39 13.111 8.230 -0.241 1.00 1.62 C ATOM 592 CG PRO A 39 13.265 9.653 0.199 1.00 1.69 C ATOM 593 CD PRO A 39 14.747 9.930 0.313 1.00 1.44 C ATOM 0 HA PRO A 39 14.678 6.839 -0.949 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.256 8.113 -0.907 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.945 7.569 0.610 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.802 10.330 -0.519 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.769 9.815 1.156 1.00 1.69 H new ATOM 0 HD2 PRO A 39 15.033 10.816 -0.254 1.00 1.44 H new ATOM 0 HD3 PRO A 39 15.042 10.105 1.348 1.00 1.44 H new ATOM 601 N GLU A 40 15.171 9.193 -2.864 1.00 1.57 N ATOM 602 CA GLU A 40 15.162 9.644 -4.247 1.00 1.76 C ATOM 603 C GLU A 40 16.207 8.895 -5.063 1.00 1.76 C ATOM 604 O GLU A 40 15.925 8.411 -6.163 1.00 1.90 O ATOM 605 CB GLU A 40 15.415 11.150 -4.315 1.00 1.90 C ATOM 606 CG GLU A 40 14.188 11.988 -3.989 1.00 2.12 C ATOM 607 CD GLU A 40 14.343 12.777 -2.705 1.00 2.36 C ATOM 608 OE1 GLU A 40 15.490 13.037 -2.295 1.00 2.63 O ATOM 609 OE2 GLU A 40 13.314 13.151 -2.101 1.00 2.91 O ATOM 0 H GLU A 40 15.866 9.651 -2.274 1.00 1.57 H new ATOM 0 HA GLU A 40 14.180 9.434 -4.671 1.00 1.76 H new ATOM 0 HB2 GLU A 40 16.215 11.407 -3.621 1.00 1.90 H new ATOM 0 HB3 GLU A 40 15.765 11.407 -5.315 1.00 1.90 H new ATOM 0 HG2 GLU A 40 13.994 12.676 -4.812 1.00 2.12 H new ATOM 0 HG3 GLU A 40 13.319 11.335 -3.907 1.00 2.12 H new ATOM 616 N SER A 41 17.401 8.762 -4.502 1.00 1.67 N ATOM 617 CA SER A 41 18.478 8.037 -5.162 1.00 1.75 C ATOM 618 C SER A 41 18.227 6.535 -5.095 1.00 1.63 C ATOM 619 O SER A 41 18.641 5.785 -5.977 1.00 1.67 O ATOM 620 CB SER A 41 19.820 8.382 -4.519 1.00 1.82 C ATOM 621 OG SER A 41 19.839 9.733 -4.077 1.00 1.89 O ATOM 0 H SER A 41 17.648 9.147 -3.590 1.00 1.67 H new ATOM 0 HA SER A 41 18.507 8.336 -6.210 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.005 7.717 -3.676 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.624 8.219 -5.236 1.00 1.82 H new ATOM 0 HG SER A 41 20.707 9.931 -3.667 1.00 1.89 H new ATOM 627 N PHE A 42 17.482 6.116 -4.080 1.00 1.51 N ATOM 628 CA PHE A 42 17.099 4.720 -3.939 1.00 1.41 C ATOM 629 C PHE A 42 15.634 4.544 -4.324 1.00 1.27 C ATOM 630 O PHE A 42 14.737 5.008 -3.616 1.00 1.40 O ATOM 631 CB PHE A 42 17.328 4.240 -2.505 1.00 1.58 C ATOM 632 CG PHE A 42 18.763 4.321 -2.063 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.783 3.841 -2.873 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.094 4.879 -0.838 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.102 3.916 -2.467 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.412 4.956 -0.428 1.00 3.01 C ATOM 637 CZ PHE A 42 21.416 4.472 -1.243 1.00 3.32 C ATOM 0 H PHE A 42 17.131 6.726 -3.342 1.00 1.51 H new ATOM 0 HA PHE A 42 17.719 4.119 -4.605 1.00 1.41 H new ATOM 0 HB2 PHE A 42 16.715 4.836 -1.829 1.00 1.58 H new ATOM 0 HB3 PHE A 42 16.988 3.208 -2.418 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.543 3.404 -3.831 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.313 5.258 -0.196 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.887 3.540 -3.107 1.00 3.12 H new ATOM 0 HE2 PHE A 42 20.656 5.394 0.528 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.446 4.528 -0.923 1.00 3.32 H new ATOM 647 N PRO A 43 15.376 3.945 -5.493 1.00 1.24 N ATOM 648 CA PRO A 43 14.018 3.769 -6.006 1.00 1.33 C ATOM 649 C PRO A 43 13.257 2.675 -5.265 1.00 1.26 C ATOM 650 O PRO A 43 13.363 1.493 -5.592 1.00 1.97 O ATOM 651 CB PRO A 43 14.235 3.386 -7.470 1.00 1.58 C ATOM 652 CG PRO A 43 15.592 2.772 -7.513 1.00 1.75 C ATOM 653 CD PRO A 43 16.395 3.441 -6.433 1.00 1.40 C ATOM 0 HA PRO A 43 13.413 4.666 -5.878 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.474 2.684 -7.811 1.00 1.58 H new ATOM 0 HB3 PRO A 43 14.177 4.260 -8.119 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.537 1.696 -7.346 1.00 1.75 H new ATOM 0 HG3 PRO A 43 16.054 2.920 -8.489 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.074 2.740 -5.948 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.005 4.251 -6.833 1.00 1.40 H new ATOM 661 N LEU A 44 12.514 3.072 -4.246 1.00 0.98 N ATOM 662 CA LEU A 44 11.762 2.130 -3.438 1.00 0.82 C ATOM 663 C LEU A 44 10.459 1.743 -4.131 1.00 0.78 C ATOM 664 O LEU A 44 9.493 2.504 -4.132 1.00 0.98 O ATOM 665 CB LEU A 44 11.471 2.728 -2.060 1.00 0.83 C ATOM 666 CG LEU A 44 11.997 1.912 -0.875 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.450 1.514 -1.098 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.854 2.701 0.416 1.00 1.29 C ATOM 0 H LEU A 44 12.416 4.046 -3.958 1.00 0.98 H new ATOM 0 HA LEU A 44 12.364 1.230 -3.312 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.905 3.727 -2.015 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.393 2.844 -1.951 1.00 0.83 H new ATOM 0 HG LEU A 44 11.402 1.002 -0.794 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.804 0.935 -0.245 1.00 1.54 H new ATOM 0 HD12 LEU A 44 13.527 0.911 -2.003 1.00 1.54 H new ATOM 0 HD13 LEU A 44 14.060 2.411 -1.206 1.00 1.54 H new ATOM 0 HD21 LEU A 44 12.232 2.108 1.249 1.00 1.29 H new ATOM 0 HD22 LEU A 44 12.424 3.627 0.342 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.803 2.935 0.585 1.00 1.29 H new ATOM 680 N LYS A 45 10.435 0.547 -4.698 1.00 0.70 N ATOM 681 CA LYS A 45 9.245 0.031 -5.347 1.00 0.68 C ATOM 682 C LYS A 45 8.300 -0.554 -4.307 1.00 0.60 C ATOM 683 O LYS A 45 8.609 -1.564 -3.676 1.00 0.76 O ATOM 684 CB LYS A 45 9.621 -1.037 -6.376 1.00 0.78 C ATOM 685 CG LYS A 45 8.491 -1.387 -7.327 1.00 1.13 C ATOM 686 CD LYS A 45 8.926 -2.424 -8.349 1.00 1.25 C ATOM 687 CE LYS A 45 8.343 -2.135 -9.722 1.00 1.41 C ATOM 688 NZ LYS A 45 9.251 -1.292 -10.541 1.00 1.75 N ATOM 0 H LYS A 45 11.234 -0.087 -4.720 1.00 0.70 H new ATOM 0 HA LYS A 45 8.743 0.850 -5.863 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.477 -0.688 -6.954 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.937 -1.939 -5.852 1.00 0.78 H new ATOM 0 HG2 LYS A 45 7.641 -1.767 -6.760 1.00 1.13 H new ATOM 0 HG3 LYS A 45 8.154 -0.487 -7.841 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.014 -2.440 -8.411 1.00 1.25 H new ATOM 0 HD3 LYS A 45 8.611 -3.414 -8.020 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.153 -3.074 -10.241 1.00 1.41 H new ATOM 0 HE3 LYS A 45 7.382 -1.632 -9.610 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.049 -1.443 -11.550 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 9.102 -0.290 -10.304 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 10.238 -1.551 -10.343 1.00 1.75 H new ATOM 702 N PHE A 46 7.194 0.130 -4.071 1.00 0.46 N ATOM 703 CA PHE A 46 6.233 -0.296 -3.067 1.00 0.41 C ATOM 704 C PHE A 46 5.233 -1.275 -3.668 1.00 0.44 C ATOM 705 O PHE A 46 4.544 -0.955 -4.635 1.00 0.58 O ATOM 706 CB PHE A 46 5.496 0.916 -2.489 1.00 0.42 C ATOM 707 CG PHE A 46 6.167 1.513 -1.286 1.00 0.37 C ATOM 708 CD1 PHE A 46 7.142 2.487 -1.431 1.00 0.45 C ATOM 709 CD2 PHE A 46 5.826 1.099 -0.009 1.00 0.41 C ATOM 710 CE1 PHE A 46 7.761 3.038 -0.326 1.00 0.48 C ATOM 711 CE2 PHE A 46 6.442 1.646 1.101 1.00 0.47 C ATOM 712 CZ PHE A 46 7.411 2.617 0.942 1.00 0.47 C ATOM 0 H PHE A 46 6.938 0.986 -4.563 1.00 0.46 H new ATOM 0 HA PHE A 46 6.774 -0.797 -2.264 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.409 1.680 -3.262 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.483 0.619 -2.219 1.00 0.42 H new ATOM 0 HD1 PHE A 46 7.421 2.819 -2.420 1.00 0.45 H new ATOM 0 HD2 PHE A 46 5.069 0.339 0.121 1.00 0.41 H new ATOM 0 HE1 PHE A 46 8.518 3.798 -0.453 1.00 0.48 H new ATOM 0 HE2 PHE A 46 6.166 1.315 2.091 1.00 0.47 H new ATOM 0 HZ PHE A 46 7.894 3.046 1.807 1.00 0.47 H new ATOM 722 N PHE A 47 5.133 -2.450 -3.073 1.00 0.40 N ATOM 723 CA PHE A 47 4.180 -3.452 -3.515 1.00 0.44 C ATOM 724 C PHE A 47 2.966 -3.437 -2.606 1.00 0.39 C ATOM 725 O PHE A 47 3.076 -3.669 -1.402 1.00 0.59 O ATOM 726 CB PHE A 47 4.822 -4.841 -3.523 1.00 0.55 C ATOM 727 CG PHE A 47 6.162 -4.876 -4.197 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.256 -4.972 -5.575 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.328 -4.811 -3.452 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.486 -5.005 -6.198 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.564 -4.842 -4.071 1.00 0.75 C ATOM 732 CZ PHE A 47 8.642 -4.940 -5.444 1.00 0.73 C ATOM 0 H PHE A 47 5.704 -2.735 -2.277 1.00 0.40 H new ATOM 0 HA PHE A 47 3.868 -3.217 -4.533 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.932 -5.188 -2.496 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.153 -5.539 -4.026 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.355 -5.022 -6.169 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.271 -4.735 -2.376 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.546 -5.082 -7.274 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.467 -4.790 -3.480 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.606 -4.966 -5.930 1.00 0.73 H new ATOM 742 N LEU A 48 1.843 -3.019 -3.155 1.00 0.33 N ATOM 743 CA LEU A 48 0.638 -2.838 -2.368 1.00 0.35 C ATOM 744 C LEU A 48 -0.483 -3.734 -2.876 1.00 0.35 C ATOM 745 O LEU A 48 -0.958 -3.560 -3.995 1.00 0.57 O ATOM 746 CB LEU A 48 0.203 -1.376 -2.433 1.00 0.44 C ATOM 747 CG LEU A 48 -0.631 -0.896 -1.252 1.00 0.72 C ATOM 748 CD1 LEU A 48 0.128 0.151 -0.457 1.00 1.02 C ATOM 749 CD2 LEU A 48 -1.963 -0.343 -1.732 1.00 1.05 C ATOM 0 H LEU A 48 1.739 -2.798 -4.145 1.00 0.33 H new ATOM 0 HA LEU A 48 0.852 -3.113 -1.335 1.00 0.35 H new ATOM 0 HB2 LEU A 48 1.093 -0.751 -2.507 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.370 -1.224 -3.348 1.00 0.44 H new ATOM 0 HG LEU A 48 -0.828 -1.746 -0.599 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -0.482 0.483 0.383 1.00 1.02 H new ATOM 0 HD12 LEU A 48 1.057 -0.279 -0.083 1.00 1.02 H new ATOM 0 HD13 LEU A 48 0.355 1.002 -1.099 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -2.546 -0.005 -0.876 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -1.787 0.496 -2.406 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.512 -1.123 -2.259 1.00 1.05 H new ATOM 761 N ARG A 49 -0.952 -4.643 -2.034 1.00 0.26 N ATOM 762 CA ARG A 49 -2.086 -5.486 -2.391 1.00 0.27 C ATOM 763 C ARG A 49 -3.294 -5.120 -1.539 1.00 0.24 C ATOM 764 O ARG A 49 -3.154 -4.872 -0.344 1.00 0.30 O ATOM 765 CB ARG A 49 -1.759 -6.980 -2.233 1.00 0.34 C ATOM 766 CG ARG A 49 -0.777 -7.298 -1.114 1.00 0.44 C ATOM 767 CD ARG A 49 -0.040 -8.606 -1.376 1.00 0.75 C ATOM 768 NE ARG A 49 -0.479 -9.677 -0.482 1.00 1.07 N ATOM 769 CZ ARG A 49 -0.368 -10.977 -0.768 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.171 -11.368 -1.916 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.785 -11.885 0.104 1.00 2.02 N ATOM 0 H ARG A 49 -0.569 -4.816 -1.105 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.315 -5.309 -3.442 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.686 -7.524 -2.051 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.351 -7.351 -3.173 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.057 -6.486 -1.018 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.312 -7.363 -0.166 1.00 0.44 H new ATOM 0 HD2 ARG A 49 -0.200 -8.910 -2.410 1.00 0.75 H new ATOM 0 HD3 ARG A 49 1.031 -8.448 -1.252 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.894 -9.416 0.412 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.503 -10.674 -2.586 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.253 -12.362 -2.128 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -1.190 -11.590 0.993 1.00 2.02 H new ATOM 0 HH22 ARG A 49 -0.701 -12.878 -0.114 1.00 2.02 H new ATOM 785 N TYR A 50 -4.462 -5.024 -2.164 1.00 0.26 N ATOM 786 CA TYR A 50 -5.670 -4.612 -1.453 1.00 0.27 C ATOM 787 C TYR A 50 -6.776 -5.663 -1.570 1.00 0.28 C ATOM 788 O TYR A 50 -7.476 -5.740 -2.580 1.00 0.36 O ATOM 789 CB TYR A 50 -6.170 -3.257 -1.979 1.00 0.35 C ATOM 790 CG TYR A 50 -5.859 -3.002 -3.441 1.00 0.49 C ATOM 791 CD1 TYR A 50 -6.700 -3.474 -4.442 1.00 0.60 C ATOM 792 CD2 TYR A 50 -4.727 -2.290 -3.821 1.00 0.70 C ATOM 793 CE1 TYR A 50 -6.420 -3.245 -5.774 1.00 0.79 C ATOM 794 CE2 TYR A 50 -4.444 -2.056 -5.152 1.00 0.90 C ATOM 795 CZ TYR A 50 -5.288 -2.534 -6.123 1.00 0.90 C ATOM 796 OH TYR A 50 -5.015 -2.305 -7.452 1.00 1.13 O ATOM 0 H TYR A 50 -4.600 -5.224 -3.155 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.412 -4.510 -0.399 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.249 -3.200 -1.834 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.725 -2.462 -1.381 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -7.587 -4.029 -4.173 1.00 0.60 H new ATOM 0 HD2 TYR A 50 -4.057 -1.913 -3.062 1.00 0.70 H new ATOM 0 HE1 TYR A 50 -7.083 -3.620 -6.540 1.00 0.79 H new ATOM 0 HE2 TYR A 50 -3.561 -1.499 -5.428 1.00 0.90 H new ATOM 0 HH TYR A 50 -4.738 -3.143 -7.878 1.00 1.13 H new ATOM 806 N ARG A 51 -6.904 -6.494 -0.549 1.00 0.29 N ATOM 807 CA ARG A 51 -7.925 -7.537 -0.523 1.00 0.34 C ATOM 808 C ARG A 51 -9.188 -7.066 0.197 1.00 0.29 C ATOM 809 O ARG A 51 -9.131 -6.680 1.362 1.00 0.33 O ATOM 810 CB ARG A 51 -7.384 -8.789 0.166 1.00 0.46 C ATOM 811 CG ARG A 51 -8.080 -10.072 -0.250 1.00 0.64 C ATOM 812 CD ARG A 51 -8.669 -10.794 0.951 1.00 1.25 C ATOM 813 NE ARG A 51 -7.748 -11.789 1.496 1.00 1.72 N ATOM 814 CZ ARG A 51 -7.428 -11.881 2.785 1.00 2.29 C ATOM 815 NH1 ARG A 51 -8.015 -11.090 3.675 1.00 2.62 N ATOM 816 NH2 ARG A 51 -6.541 -12.782 3.190 1.00 3.10 N ATOM 0 H ARG A 51 -6.310 -6.469 0.280 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.184 -7.769 -1.556 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.319 -8.879 -0.050 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.481 -8.668 1.245 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -8.871 -9.844 -0.964 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.370 -10.725 -0.758 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.918 -10.068 1.725 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.600 -11.282 0.661 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.324 -12.454 0.849 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -8.712 -10.410 3.372 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -7.769 -11.162 4.662 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -6.103 -13.406 2.513 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -6.298 -12.850 4.178 1.00 3.10 H new ATOM 830 N PRO A 52 -10.365 -7.213 -0.429 1.00 0.32 N ATOM 831 CA PRO A 52 -11.637 -6.963 0.249 1.00 0.38 C ATOM 832 C PRO A 52 -11.894 -8.012 1.332 1.00 0.44 C ATOM 833 O PRO A 52 -11.538 -9.176 1.167 1.00 0.51 O ATOM 834 CB PRO A 52 -12.672 -7.081 -0.872 1.00 0.52 C ATOM 835 CG PRO A 52 -12.040 -7.985 -1.876 1.00 0.65 C ATOM 836 CD PRO A 52 -10.555 -7.741 -1.793 1.00 0.45 C ATOM 0 HA PRO A 52 -11.663 -5.997 0.754 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.611 -7.494 -0.503 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.900 -6.107 -1.304 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.275 -9.028 -1.662 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.413 -7.774 -2.878 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.989 -8.659 -1.950 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.223 -7.029 -2.548 1.00 0.45 H new ATOM 844 N LEU A 53 -12.472 -7.595 2.451 1.00 0.50 N ATOM 845 CA LEU A 53 -12.705 -8.496 3.581 1.00 0.65 C ATOM 846 C LEU A 53 -13.893 -9.428 3.328 1.00 0.81 C ATOM 847 O LEU A 53 -14.477 -9.975 4.264 1.00 1.22 O ATOM 848 CB LEU A 53 -12.938 -7.687 4.858 1.00 0.70 C ATOM 849 CG LEU A 53 -11.828 -7.795 5.905 1.00 0.82 C ATOM 850 CD1 LEU A 53 -10.647 -6.914 5.529 1.00 1.32 C ATOM 851 CD2 LEU A 53 -12.359 -7.419 7.277 1.00 1.40 C ATOM 0 H LEU A 53 -12.790 -6.638 2.604 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.816 -9.115 3.699 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.061 -6.638 4.588 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.875 -8.012 5.310 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.484 -8.829 5.937 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -9.869 -7.006 6.287 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.252 -7.228 4.563 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -10.973 -5.876 5.467 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -11.558 -7.500 8.012 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -12.729 -6.394 7.256 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -13.172 -8.092 7.550 1.00 1.40 H new ATOM 863 N ILE A 54 -14.228 -9.618 2.058 1.00 0.85 N ATOM 864 CA ILE A 54 -15.325 -10.492 1.668 1.00 1.01 C ATOM 865 C ILE A 54 -14.884 -11.461 0.571 1.00 1.08 C ATOM 866 O ILE A 54 -15.549 -12.466 0.313 1.00 1.34 O ATOM 867 CB ILE A 54 -16.538 -9.686 1.158 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.076 -8.513 0.289 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.382 -9.193 2.324 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.076 -8.110 -0.774 1.00 1.46 C ATOM 0 H ILE A 54 -13.750 -9.173 1.274 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.617 -11.050 2.558 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.155 -10.343 0.545 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -15.875 -7.655 0.930 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.135 -8.778 -0.192 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.232 -8.627 1.944 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.742 -10.046 2.899 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.777 -8.552 2.966 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.679 -7.274 -1.349 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.259 -8.953 -1.440 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.011 -7.813 -0.300 1.00 1.46 H new ATOM 882 N LEU A 55 -13.781 -11.135 -0.093 1.00 0.95 N ATOM 883 CA LEU A 55 -13.276 -11.946 -1.194 1.00 1.10 C ATOM 884 C LEU A 55 -11.753 -11.987 -1.165 1.00 1.12 C ATOM 885 O LEU A 55 -11.097 -10.946 -1.179 1.00 1.51 O ATOM 886 CB LEU A 55 -13.748 -11.372 -2.538 1.00 1.25 C ATOM 887 CG LEU A 55 -14.541 -12.331 -3.435 1.00 1.48 C ATOM 888 CD1 LEU A 55 -13.905 -13.714 -3.458 1.00 1.69 C ATOM 889 CD2 LEU A 55 -15.988 -12.417 -2.977 1.00 2.11 C ATOM 0 H LEU A 55 -13.217 -10.311 0.114 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.664 -12.958 -1.081 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -14.366 -10.496 -2.340 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.874 -11.027 -3.091 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.521 -11.935 -4.450 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -14.489 -14.372 -4.102 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -12.887 -13.640 -3.842 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -13.883 -14.121 -2.447 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -16.535 -13.102 -3.625 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -16.024 -12.782 -1.951 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -16.445 -11.428 -3.026 1.00 2.11 H new ATOM 901 N ASP A 56 -11.192 -13.186 -1.150 1.00 1.38 N ATOM 902 CA ASP A 56 -9.742 -13.353 -1.150 1.00 1.54 C ATOM 903 C ASP A 56 -9.179 -13.155 -2.552 1.00 1.19 C ATOM 904 O ASP A 56 -8.728 -14.098 -3.206 1.00 1.44 O ATOM 905 CB ASP A 56 -9.352 -14.733 -0.617 1.00 2.08 C ATOM 906 CG ASP A 56 -7.858 -14.866 -0.390 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.200 -13.837 -0.123 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.329 -15.992 -0.490 1.00 2.89 O ATOM 0 H ASP A 56 -11.717 -14.060 -1.138 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.317 -12.596 -0.491 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -9.877 -14.919 0.320 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.679 -15.497 -1.322 1.00 2.08 H new ATOM 913 N GLN A 57 -9.241 -11.924 -3.024 1.00 0.83 N ATOM 914 CA GLN A 57 -8.746 -11.584 -4.343 1.00 0.93 C ATOM 915 C GLN A 57 -7.605 -10.587 -4.228 1.00 0.79 C ATOM 916 O GLN A 57 -7.821 -9.373 -4.228 1.00 0.82 O ATOM 917 CB GLN A 57 -9.870 -11.007 -5.203 1.00 1.30 C ATOM 918 CG GLN A 57 -10.450 -12.009 -6.184 1.00 1.81 C ATOM 919 CD GLN A 57 -11.839 -11.628 -6.654 1.00 2.19 C ATOM 920 OE1 GLN A 57 -12.776 -12.421 -6.569 1.00 2.89 O ATOM 921 NE2 GLN A 57 -11.979 -10.416 -7.162 1.00 2.43 N ATOM 0 H GLN A 57 -9.633 -11.137 -2.507 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.376 -12.490 -4.823 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.666 -10.643 -4.553 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.491 -10.147 -5.755 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -9.789 -12.092 -7.047 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -10.486 -12.992 -5.715 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -11.176 -9.789 -7.214 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -12.890 -10.108 -7.502 1.00 2.43 H new ATOM 930 N TRP A 58 -6.404 -11.112 -4.038 1.00 0.73 N ATOM 931 CA TRP A 58 -5.226 -10.289 -3.859 1.00 0.63 C ATOM 932 C TRP A 58 -4.848 -9.608 -5.161 1.00 0.67 C ATOM 933 O TRP A 58 -4.972 -10.195 -6.239 1.00 0.76 O ATOM 934 CB TRP A 58 -4.069 -11.145 -3.344 1.00 0.71 C ATOM 935 CG TRP A 58 -4.038 -11.228 -1.856 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.990 -12.349 -1.079 1.00 0.85 C ATOM 937 CD2 TRP A 58 -4.063 -10.122 -0.965 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.973 -11.994 0.250 1.00 0.84 N ATOM 939 CE2 TRP A 58 -4.016 -10.630 0.343 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.116 -8.749 -1.155 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -4.017 -9.795 1.457 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.117 -7.928 -0.059 1.00 0.39 C ATOM 943 CH2 TRP A 58 -4.067 -8.447 1.230 1.00 0.49 C ATOM 0 H TRP A 58 -6.223 -12.115 -4.004 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.445 -9.515 -3.124 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -4.152 -12.150 -3.759 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -3.127 -10.729 -3.701 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.969 -13.362 -1.452 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.935 -12.642 1.037 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.156 -8.334 -2.151 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.980 -10.195 2.459 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.157 -6.858 -0.198 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -4.068 -7.770 2.072 1.00 0.49 H new ATOM 954 N GLN A 59 -4.411 -8.361 -5.060 1.00 0.70 N ATOM 955 CA GLN A 59 -4.014 -7.598 -6.236 1.00 0.79 C ATOM 956 C GLN A 59 -2.992 -6.551 -5.846 1.00 0.95 C ATOM 957 O GLN A 59 -3.260 -5.708 -4.994 1.00 1.64 O ATOM 958 CB GLN A 59 -5.225 -6.938 -6.892 1.00 1.06 C ATOM 959 CG GLN A 59 -5.046 -6.715 -8.384 1.00 1.36 C ATOM 960 CD GLN A 59 -5.413 -5.312 -8.806 1.00 1.68 C ATOM 961 OE1 GLN A 59 -4.554 -4.502 -9.159 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.693 -5.011 -8.758 1.00 2.14 N ATOM 0 H GLN A 59 -4.322 -7.856 -4.178 1.00 0.70 H new ATOM 0 HA GLN A 59 -3.569 -8.281 -6.959 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -6.105 -7.560 -6.727 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -5.416 -5.980 -6.408 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -4.009 -6.914 -8.656 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -5.662 -7.429 -8.931 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.371 -5.712 -8.460 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -7.007 -4.076 -9.019 1.00 2.14 H new ATOM 971 N HIS A 60 -1.803 -6.664 -6.410 1.00 0.80 N ATOM 972 CA HIS A 60 -0.700 -5.793 -6.034 1.00 1.11 C ATOM 973 C HIS A 60 -0.428 -4.740 -7.092 1.00 0.88 C ATOM 974 O HIS A 60 -0.425 -5.024 -8.290 1.00 1.12 O ATOM 975 CB HIS A 60 0.580 -6.601 -5.758 1.00 1.75 C ATOM 976 CG HIS A 60 0.970 -7.558 -6.849 1.00 1.87 C ATOM 977 ND1 HIS A 60 1.585 -7.172 -8.021 1.00 2.49 N ATOM 978 CD2 HIS A 60 0.841 -8.903 -6.927 1.00 2.11 C ATOM 979 CE1 HIS A 60 1.813 -8.234 -8.767 1.00 2.81 C ATOM 980 NE2 HIS A 60 1.372 -9.299 -8.127 1.00 2.58 N ATOM 0 H HIS A 60 -1.575 -7.350 -7.130 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.999 -5.285 -5.117 1.00 1.11 H new ATOM 0 HB2 HIS A 60 1.403 -5.906 -5.593 1.00 1.75 H new ATOM 0 HB3 HIS A 60 0.446 -7.162 -4.833 1.00 1.75 H new ATOM 0 HD1 HIS A 60 1.826 -6.213 -8.272 1.00 2.49 H new ATOM 0 HD2 HIS A 60 0.400 -9.547 -6.180 1.00 2.11 H new ATOM 0 HE1 HIS A 60 2.282 -8.232 -9.740 1.00 2.81 H new ATOM 989 N VAL A 61 -0.138 -3.543 -6.629 1.00 0.60 N ATOM 990 CA VAL A 61 0.249 -2.453 -7.497 1.00 0.59 C ATOM 991 C VAL A 61 1.676 -2.036 -7.179 1.00 0.51 C ATOM 992 O VAL A 61 1.998 -1.727 -6.030 1.00 0.55 O ATOM 993 CB VAL A 61 -0.687 -1.236 -7.353 1.00 0.87 C ATOM 994 CG1 VAL A 61 -1.853 -1.345 -8.321 1.00 1.32 C ATOM 995 CG2 VAL A 61 -1.189 -1.105 -5.923 1.00 1.48 C ATOM 0 H VAL A 61 -0.164 -3.298 -5.639 1.00 0.60 H new ATOM 0 HA VAL A 61 0.176 -2.806 -8.526 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.119 -0.338 -7.596 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -2.504 -0.478 -8.206 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -1.475 -1.382 -9.343 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -2.418 -2.253 -8.110 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -1.847 -0.240 -5.846 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -1.739 -2.005 -5.647 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -0.341 -0.977 -5.250 1.00 1.48 H new ATOM 1005 N GLU A 62 2.544 -2.146 -8.166 1.00 0.81 N ATOM 1006 CA GLU A 62 3.955 -1.864 -7.980 1.00 1.05 C ATOM 1007 C GLU A 62 4.213 -0.374 -8.128 1.00 0.71 C ATOM 1008 O GLU A 62 4.172 0.168 -9.233 1.00 0.80 O ATOM 1009 CB GLU A 62 4.791 -2.654 -8.985 1.00 1.61 C ATOM 1010 CG GLU A 62 4.756 -4.156 -8.750 1.00 2.42 C ATOM 1011 CD GLU A 62 3.702 -4.852 -9.581 1.00 3.17 C ATOM 1012 OE1 GLU A 62 4.006 -5.257 -10.723 1.00 3.60 O ATOM 1013 OE2 GLU A 62 2.558 -4.990 -9.105 1.00 3.63 O ATOM 0 H GLU A 62 2.294 -2.431 -9.113 1.00 0.81 H new ATOM 0 HA GLU A 62 4.245 -2.170 -6.975 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.431 -2.443 -9.992 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.824 -2.310 -8.937 1.00 1.61 H new ATOM 0 HG2 GLU A 62 5.733 -4.579 -8.982 1.00 2.42 H new ATOM 0 HG3 GLU A 62 4.567 -4.350 -7.694 1.00 2.42 H new ATOM 1020 N LEU A 63 4.381 0.294 -7.002 1.00 0.61 N ATOM 1021 CA LEU A 63 4.545 1.736 -6.981 1.00 0.71 C ATOM 1022 C LEU A 63 5.987 2.117 -6.672 1.00 0.75 C ATOM 1023 O LEU A 63 6.352 2.346 -5.517 1.00 0.94 O ATOM 1024 CB LEU A 63 3.606 2.354 -5.947 1.00 0.97 C ATOM 1025 CG LEU A 63 2.121 2.139 -6.226 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.407 1.649 -4.978 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.492 3.423 -6.741 1.00 1.18 C ATOM 0 H LEU A 63 4.408 -0.144 -6.081 1.00 0.61 H new ATOM 0 HA LEU A 63 4.295 2.123 -7.969 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.842 1.938 -4.967 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.801 3.425 -5.894 1.00 0.97 H new ATOM 0 HG LEU A 63 2.018 1.373 -6.995 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.350 1.502 -5.198 1.00 1.33 H new ATOM 0 HD12 LEU A 63 1.845 0.705 -4.655 1.00 1.33 H new ATOM 0 HD13 LEU A 63 1.513 2.388 -4.184 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.433 3.256 -6.936 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.604 4.208 -5.994 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.988 3.726 -7.663 1.00 1.18 H new ATOM 1039 N SER A 64 6.791 2.221 -7.713 1.00 0.78 N ATOM 1040 CA SER A 64 8.175 2.640 -7.571 1.00 0.89 C ATOM 1041 C SER A 64 8.235 4.112 -7.179 1.00 0.82 C ATOM 1042 O SER A 64 7.921 4.992 -7.984 1.00 1.57 O ATOM 1043 CB SER A 64 8.933 2.392 -8.878 1.00 1.13 C ATOM 1044 OG SER A 64 8.380 1.289 -9.585 1.00 1.36 O ATOM 0 H SER A 64 6.509 2.020 -8.672 1.00 0.78 H new ATOM 0 HA SER A 64 8.650 2.055 -6.783 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.893 3.285 -9.501 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.984 2.201 -8.663 1.00 1.13 H new ATOM 0 HG SER A 64 8.521 1.413 -10.547 1.00 1.36 H new ATOM 1050 N ASN A 65 8.532 4.347 -5.904 1.00 1.03 N ATOM 1051 CA ASN A 65 8.570 5.687 -5.328 1.00 0.94 C ATOM 1052 C ASN A 65 7.176 6.305 -5.272 1.00 0.82 C ATOM 1053 O ASN A 65 7.019 7.526 -5.332 1.00 1.16 O ATOM 1054 CB ASN A 65 9.536 6.594 -6.099 1.00 1.03 C ATOM 1055 CG ASN A 65 10.979 6.360 -5.700 1.00 1.41 C ATOM 1056 OD1 ASN A 65 11.856 6.202 -6.550 1.00 2.04 O ATOM 1057 ND2 ASN A 65 11.238 6.327 -4.401 1.00 1.97 N ATOM 0 H ASN A 65 8.754 3.608 -5.237 1.00 1.03 H new ATOM 0 HA ASN A 65 8.937 5.594 -4.306 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.423 6.417 -7.169 1.00 1.03 H new ATOM 0 HB3 ASN A 65 9.275 7.637 -5.919 1.00 1.03 H new ATOM 0 HD21 ASN A 65 12.191 6.166 -4.075 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.484 6.462 -3.727 1.00 1.97 H new ATOM 1064 N GLY A 66 6.179 5.460 -5.031 1.00 0.69 N ATOM 1065 CA GLY A 66 4.827 5.940 -4.830 1.00 0.66 C ATOM 1066 C GLY A 66 4.502 6.057 -3.357 1.00 0.61 C ATOM 1067 O GLY A 66 5.107 5.367 -2.537 1.00 0.87 O ATOM 0 H GLY A 66 6.286 4.447 -4.971 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.708 6.911 -5.310 1.00 0.66 H new ATOM 0 HA3 GLY A 66 4.122 5.260 -5.308 1.00 0.66 H new ATOM 1071 N THR A 67 3.608 6.972 -3.006 1.00 0.40 N ATOM 1072 CA THR A 67 3.292 7.213 -1.605 1.00 0.41 C ATOM 1073 C THR A 67 1.814 7.549 -1.393 1.00 0.36 C ATOM 1074 O THR A 67 1.360 7.706 -0.260 1.00 0.39 O ATOM 1075 CB THR A 67 4.161 8.357 -1.041 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.691 9.146 -2.118 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.305 7.808 -0.205 1.00 0.70 C ATOM 0 H THR A 67 3.093 7.555 -3.666 1.00 0.40 H new ATOM 0 HA THR A 67 3.508 6.287 -1.072 1.00 0.41 H new ATOM 0 HB THR A 67 3.532 8.980 -0.405 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.240 9.871 -1.753 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.903 8.634 0.181 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.903 7.231 0.628 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.931 7.165 -0.823 1.00 0.70 H new ATOM 1085 N ALA A 68 1.060 7.650 -2.480 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.355 7.988 -2.392 1.00 0.47 C ATOM 1087 C ALA A 68 -1.160 7.236 -3.443 1.00 0.47 C ATOM 1088 O ALA A 68 -1.438 7.759 -4.522 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.548 9.489 -2.550 1.00 0.59 C ATOM 0 H ALA A 68 1.403 7.503 -3.429 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.718 7.688 -1.409 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.609 9.728 -2.482 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.007 10.010 -1.760 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.166 9.805 -3.521 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.539 6.008 -3.125 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.339 5.208 -4.043 1.00 0.45 C ATOM 1097 C HIS A 69 -3.827 5.369 -3.775 1.00 0.40 C ATOM 1098 O HIS A 69 -4.396 4.685 -2.925 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.960 3.730 -3.989 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.348 2.990 -5.233 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.910 3.352 -6.486 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.154 1.919 -5.416 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.424 2.539 -7.386 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.187 1.657 -6.764 1.00 0.75 N ATOM 0 H HIS A 69 -1.309 5.545 -2.246 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.123 5.580 -5.044 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.884 3.640 -3.838 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.443 3.266 -3.129 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.675 1.371 -4.645 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.251 2.585 -8.451 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.713 0.906 -7.211 1.00 0.75 H new ATOM 1113 N THR A 70 -4.464 6.164 -4.602 1.00 0.41 N ATOM 1114 CA THR A 70 -5.907 6.319 -4.564 1.00 0.44 C ATOM 1115 C THR A 70 -6.574 5.206 -5.368 1.00 0.47 C ATOM 1116 O THR A 70 -6.354 5.089 -6.572 1.00 0.72 O ATOM 1117 CB THR A 70 -6.325 7.681 -5.141 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.334 8.667 -4.822 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.673 8.112 -4.592 1.00 0.84 C ATOM 0 H THR A 70 -4.002 6.722 -5.320 1.00 0.41 H new ATOM 0 HA THR A 70 -6.227 6.263 -3.523 1.00 0.44 H new ATOM 0 HB THR A 70 -6.410 7.585 -6.223 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.603 9.533 -5.193 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.946 9.078 -5.016 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.428 7.372 -4.859 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.614 8.195 -3.507 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.329 4.350 -4.694 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.961 3.218 -5.363 1.00 0.44 C ATOM 1129 C ILE A 71 -9.478 3.352 -5.365 1.00 0.34 C ATOM 1130 O ILE A 71 -10.096 3.515 -4.315 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.592 1.865 -4.712 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.492 2.029 -3.661 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -7.163 0.871 -5.779 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.455 0.903 -2.649 1.00 0.70 C ATOM 0 H ILE A 71 -7.519 4.415 -3.694 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.584 3.231 -6.385 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.478 1.483 -4.205 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.526 2.089 -4.163 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.638 2.974 -3.137 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.905 -0.078 -5.309 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.981 0.717 -6.483 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -6.295 1.260 -6.311 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.652 1.083 -1.934 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.408 0.857 -2.121 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.279 -0.042 -3.163 1.00 0.70 H new ATOM 1146 N THR A 72 -10.071 3.250 -6.548 1.00 0.37 N ATOM 1147 CA THR A 72 -11.521 3.302 -6.689 1.00 0.33 C ATOM 1148 C THR A 72 -12.100 1.891 -6.787 1.00 0.31 C ATOM 1149 O THR A 72 -13.290 1.705 -7.045 1.00 0.33 O ATOM 1150 CB THR A 72 -11.931 4.110 -7.936 1.00 0.43 C ATOM 1151 OG1 THR A 72 -10.761 4.590 -8.617 1.00 1.33 O ATOM 1152 CG2 THR A 72 -12.823 5.281 -7.551 1.00 1.22 C ATOM 0 H THR A 72 -9.568 3.130 -7.427 1.00 0.37 H new ATOM 0 HA THR A 72 -11.920 3.798 -5.804 1.00 0.33 H new ATOM 0 HB THR A 72 -12.491 3.453 -8.602 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.030 5.101 -9.409 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.100 5.837 -8.447 1.00 1.22 H new ATOM 0 HG22 THR A 72 -13.723 4.908 -7.063 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.286 5.938 -6.867 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.247 0.902 -6.556 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.658 -0.499 -6.580 1.00 0.40 C ATOM 1162 C ASP A 73 -12.050 -0.957 -5.183 1.00 0.39 C ATOM 1163 O ASP A 73 -12.142 -2.153 -4.906 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.526 -1.378 -7.126 1.00 0.52 C ATOM 1165 CG ASP A 73 -11.030 -2.622 -7.839 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -12.131 -2.569 -8.426 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -10.347 -3.668 -7.794 1.00 1.31 O ATOM 0 H ASP A 73 -10.259 1.044 -6.348 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.523 -0.596 -7.237 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.919 -0.792 -7.816 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.876 -1.676 -6.303 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.238 0.004 -4.289 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.565 -0.296 -2.907 1.00 0.33 C ATOM 1174 C ALA A 74 -14.068 -0.409 -2.725 1.00 0.35 C ATOM 1175 O ALA A 74 -14.830 0.306 -3.359 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.989 0.767 -1.989 1.00 0.36 C ATOM 0 H ALA A 74 -12.169 1.000 -4.500 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.121 -1.256 -2.645 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.241 0.531 -0.955 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.905 0.796 -2.101 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.407 1.739 -2.251 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.494 -1.324 -1.877 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.914 -1.539 -1.655 1.00 0.52 C ATOM 1184 C TYR A 75 -16.405 -0.660 -0.519 1.00 0.46 C ATOM 1185 O TYR A 75 -16.046 -0.885 0.628 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.195 -3.011 -1.355 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.367 -3.860 -2.598 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -15.545 -3.682 -3.706 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -17.351 -4.839 -2.663 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -15.699 -4.454 -4.841 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -17.509 -5.616 -3.795 1.00 2.26 C ATOM 1192 CZ TYR A 75 -16.682 -5.419 -4.881 1.00 2.21 C ATOM 1193 OH TYR A 75 -16.838 -6.194 -6.011 1.00 2.86 O ATOM 0 H TYR A 75 -13.881 -1.930 -1.331 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.453 -1.268 -2.563 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.376 -3.415 -0.760 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.097 -3.084 -0.747 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -14.773 -2.927 -3.678 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -18.002 -4.995 -1.816 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -15.052 -4.302 -5.693 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -18.277 -6.374 -3.829 1.00 2.26 H new ATOM 0 HH TYR A 75 -17.574 -6.826 -5.875 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.122 0.403 -0.874 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.585 1.416 0.079 1.00 0.57 C ATOM 1205 C ALA A 76 -18.034 0.825 1.417 1.00 0.50 C ATOM 1206 O ALA A 76 -17.661 1.321 2.481 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.723 2.209 -0.540 1.00 0.74 C ATOM 0 H ALA A 76 -17.402 0.590 -1.837 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.736 2.065 0.293 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -19.068 2.963 0.168 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -18.373 2.698 -1.449 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.545 1.536 -0.783 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.919 -0.157 1.356 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.486 -0.723 2.566 1.00 0.55 C ATOM 1215 C GLY A 77 -18.712 -1.912 3.111 1.00 0.48 C ATOM 1216 O GLY A 77 -19.207 -2.621 3.988 1.00 0.58 O ATOM 0 H GLY A 77 -19.257 -0.575 0.489 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.530 0.051 3.332 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.512 -1.031 2.365 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.511 -2.149 2.599 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.708 -3.281 3.045 1.00 0.49 C ATOM 1222 C LYS A 78 -15.278 -2.856 3.350 1.00 0.43 C ATOM 1223 O LYS A 78 -14.774 -1.881 2.799 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.707 -4.387 1.988 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.689 -5.507 2.287 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.972 -5.350 1.490 1.00 1.62 C ATOM 1227 CE LYS A 78 -20.201 -5.555 2.362 1.00 1.93 C ATOM 1228 NZ LYS A 78 -21.351 -6.080 1.582 1.00 2.32 N ATOM 0 H LYS A 78 -17.073 -1.576 1.878 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.156 -3.664 3.962 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.947 -3.952 1.018 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.703 -4.805 1.911 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -17.229 -6.467 2.053 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.920 -5.515 3.352 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -19.004 -4.356 1.043 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.982 -6.069 0.671 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.962 -6.248 3.169 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -20.479 -4.609 2.826 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -22.169 -6.206 2.212 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -21.595 -5.407 0.828 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -21.095 -6.995 1.160 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.634 -3.585 4.243 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.268 -3.281 4.623 1.00 0.43 C ATOM 1244 C GLU A 79 -12.291 -3.843 3.600 1.00 0.37 C ATOM 1245 O GLU A 79 -12.534 -4.888 2.990 1.00 0.39 O ATOM 1246 CB GLU A 79 -12.958 -3.847 6.012 1.00 0.59 C ATOM 1247 CG GLU A 79 -13.321 -2.901 7.144 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.401 -3.033 8.342 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -11.201 -2.706 8.225 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -12.881 -3.444 9.421 1.00 2.05 O ATOM 0 H GLU A 79 -15.036 -4.393 4.719 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.156 -2.197 4.654 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.500 -4.784 6.144 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -11.895 -4.082 6.072 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -13.287 -1.875 6.778 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -14.347 -3.094 7.457 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.193 -3.141 3.415 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.156 -3.562 2.494 1.00 0.38 C ATOM 1259 C TYR A 80 -8.834 -3.673 3.233 1.00 0.41 C ATOM 1260 O TYR A 80 -8.320 -2.679 3.748 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.029 -2.558 1.345 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.540 -3.076 0.019 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -11.900 -3.238 -0.208 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.661 -3.402 -1.006 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.370 -3.710 -1.418 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.124 -3.874 -2.218 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.479 -4.028 -2.418 1.00 0.66 C ATOM 1268 OH TYR A 80 -11.943 -4.500 -3.623 1.00 0.85 O ATOM 0 H TYR A 80 -10.993 -2.264 3.897 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.421 -4.535 2.080 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.576 -1.652 1.605 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -8.982 -2.277 1.235 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.602 -2.991 0.575 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.598 -3.284 -0.852 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.431 -3.829 -1.579 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.428 -4.121 -3.006 1.00 0.64 H new ATOM 0 HH TYR A 80 -11.853 -3.802 -4.305 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.291 -4.880 3.301 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.016 -5.091 3.966 1.00 0.33 C ATOM 1280 C ILE A 81 -5.875 -4.908 2.976 1.00 0.29 C ATOM 1281 O ILE A 81 -5.759 -5.638 1.987 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.923 -6.478 4.656 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.497 -6.738 5.153 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.374 -7.593 3.726 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.346 -6.606 6.652 1.00 1.11 C ATOM 0 H ILE A 81 -8.711 -5.722 2.907 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.936 -4.344 4.755 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.596 -6.467 5.514 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -5.193 -7.741 4.852 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.818 -6.039 4.665 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.296 -8.550 4.241 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.409 -7.423 3.430 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.740 -7.606 2.839 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.311 -6.804 6.932 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.618 -5.596 6.958 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -6.000 -7.324 7.148 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.118 -3.850 3.184 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.044 -3.484 2.287 1.00 0.30 C ATOM 1299 C ILE A 82 -2.704 -3.913 2.870 1.00 0.32 C ATOM 1300 O ILE A 82 -2.375 -3.575 4.004 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.044 -1.962 2.035 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.242 -1.572 1.168 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -2.747 -1.510 1.385 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -5.957 -0.337 1.657 1.00 0.64 C ATOM 0 H ILE A 82 -5.231 -3.221 3.979 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.199 -3.995 1.337 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.125 -1.459 2.999 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -4.903 -1.406 0.146 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -5.946 -2.403 1.139 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -2.778 -0.433 1.221 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -1.909 -1.753 2.038 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -2.622 -2.019 0.429 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -6.796 -0.117 0.997 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.326 -0.507 2.668 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.266 0.506 1.660 1.00 0.64 H new ATOM 1316 N GLN A 83 -1.953 -4.676 2.101 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.655 -5.146 2.540 1.00 0.34 C ATOM 1318 C GLN A 83 0.448 -4.383 1.822 1.00 0.29 C ATOM 1319 O GLN A 83 0.494 -4.349 0.591 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.520 -6.644 2.284 1.00 0.44 C ATOM 1321 CG GLN A 83 0.653 -7.287 2.992 1.00 0.60 C ATOM 1322 CD GLN A 83 0.901 -6.730 4.380 1.00 0.71 C ATOM 1323 OE1 GLN A 83 1.644 -5.769 4.547 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.314 -7.355 5.385 1.00 0.64 N ATOM 0 H GLN A 83 -2.221 -4.984 1.166 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.561 -4.969 3.611 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.438 -7.140 2.600 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.420 -6.811 1.212 1.00 0.44 H new ATOM 0 HG2 GLN A 83 0.479 -8.360 3.066 1.00 0.60 H new ATOM 0 HG3 GLN A 83 1.551 -7.151 2.389 1.00 0.60 H new ATOM 0 HE21 GLN A 83 -0.297 -8.151 5.203 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.472 -7.042 6.343 1.00 0.64 H new ATOM 1333 N VAL A 84 1.256 -3.684 2.601 1.00 0.28 N ATOM 1334 CA VAL A 84 2.294 -2.818 2.062 1.00 0.28 C ATOM 1335 C VAL A 84 3.695 -3.381 2.307 1.00 0.28 C ATOM 1336 O VAL A 84 4.096 -3.594 3.455 1.00 0.32 O ATOM 1337 CB VAL A 84 2.226 -1.413 2.690 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.938 -0.395 1.811 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.787 -0.997 2.936 1.00 0.51 C ATOM 0 H VAL A 84 1.213 -3.699 3.620 1.00 0.28 H new ATOM 0 HA VAL A 84 2.113 -2.760 0.989 1.00 0.28 H new ATOM 0 HB VAL A 84 2.736 -1.449 3.653 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.878 0.590 2.273 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.984 -0.680 1.699 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.463 -0.365 0.831 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.767 -0.002 3.380 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.245 -0.984 1.990 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.314 -1.707 3.615 1.00 0.51 H new ATOM 1349 N ALA A 85 4.471 -3.478 1.238 1.00 0.31 N ATOM 1350 CA ALA A 85 5.881 -3.838 1.322 1.00 0.36 C ATOM 1351 C ALA A 85 6.658 -3.054 0.273 1.00 0.30 C ATOM 1352 O ALA A 85 6.058 -2.337 -0.527 1.00 0.37 O ATOM 1353 CB ALA A 85 6.076 -5.335 1.128 1.00 0.49 C ATOM 0 H ALA A 85 4.142 -3.310 0.287 1.00 0.31 H new ATOM 0 HA ALA A 85 6.255 -3.586 2.315 1.00 0.36 H new ATOM 0 HB1 ALA A 85 7.137 -5.575 1.196 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.531 -5.876 1.902 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.699 -5.627 0.148 1.00 0.49 H new ATOM 1359 N ALA A 86 7.978 -3.167 0.281 1.00 0.35 N ATOM 1360 CA ALA A 86 8.799 -2.435 -0.674 1.00 0.45 C ATOM 1361 C ALA A 86 10.157 -3.096 -0.873 1.00 0.40 C ATOM 1362 O ALA A 86 10.561 -3.956 -0.088 1.00 0.55 O ATOM 1363 CB ALA A 86 8.984 -0.993 -0.216 1.00 0.70 C ATOM 0 H ALA A 86 8.501 -3.753 0.932 1.00 0.35 H new ATOM 0 HA ALA A 86 8.278 -2.446 -1.631 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.599 -0.458 -0.939 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.011 -0.508 -0.138 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.474 -0.980 0.757 1.00 0.70 H new ATOM 1369 N LYS A 87 10.879 -2.635 -1.888 1.00 0.46 N ATOM 1370 CA LYS A 87 12.227 -3.087 -2.175 1.00 0.49 C ATOM 1371 C LYS A 87 12.831 -2.151 -3.210 1.00 0.61 C ATOM 1372 O LYS A 87 12.104 -1.439 -3.903 1.00 0.80 O ATOM 1373 CB LYS A 87 12.243 -4.540 -2.680 1.00 0.62 C ATOM 1374 CG LYS A 87 11.931 -4.692 -4.162 1.00 0.69 C ATOM 1375 CD LYS A 87 12.814 -5.734 -4.821 1.00 0.91 C ATOM 1376 CE LYS A 87 12.943 -5.491 -6.315 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.223 -6.742 -7.065 1.00 1.33 N ATOM 0 H LYS A 87 10.537 -1.929 -2.540 1.00 0.46 H new ATOM 0 HA LYS A 87 12.817 -3.067 -1.258 1.00 0.49 H new ATOM 0 HB2 LYS A 87 13.225 -4.970 -2.481 1.00 0.62 H new ATOM 0 HB3 LYS A 87 11.519 -5.119 -2.107 1.00 0.62 H new ATOM 0 HG2 LYS A 87 10.885 -4.972 -4.286 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.066 -3.733 -4.662 1.00 0.69 H new ATOM 0 HD2 LYS A 87 13.803 -5.717 -4.362 1.00 0.91 H new ATOM 0 HD3 LYS A 87 12.399 -6.727 -4.647 1.00 0.91 H new ATOM 0 HE2 LYS A 87 12.022 -5.043 -6.689 1.00 1.08 H new ATOM 0 HE3 LYS A 87 13.743 -4.774 -6.497 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 13.303 -6.528 -8.080 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 14.115 -7.157 -6.727 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 12.448 -7.418 -6.914 1.00 1.33 H new ATOM 1391 N ASP A 88 14.144 -2.105 -3.273 1.00 0.67 N ATOM 1392 CA ASP A 88 14.826 -1.224 -4.214 1.00 0.81 C ATOM 1393 C ASP A 88 14.697 -1.768 -5.639 1.00 0.90 C ATOM 1394 O ASP A 88 14.740 -2.978 -5.861 1.00 1.00 O ATOM 1395 CB ASP A 88 16.291 -1.062 -3.804 1.00 0.96 C ATOM 1396 CG ASP A 88 17.223 -0.811 -4.974 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.001 0.158 -5.722 1.00 1.53 O ATOM 1398 OD2 ASP A 88 18.198 -1.573 -5.140 1.00 1.42 O ATOM 0 H ASP A 88 14.765 -2.664 -2.688 1.00 0.67 H new ATOM 0 HA ASP A 88 14.358 -0.240 -4.194 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.373 -0.234 -3.100 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.614 -1.961 -3.279 1.00 0.96 H new ATOM 1403 N ASN A 89 14.412 -0.868 -6.570 1.00 1.00 N ATOM 1404 CA ASN A 89 14.126 -1.228 -7.958 1.00 1.17 C ATOM 1405 C ASN A 89 15.351 -1.787 -8.679 1.00 1.27 C ATOM 1406 O ASN A 89 15.230 -2.337 -9.775 1.00 1.46 O ATOM 1407 CB ASN A 89 13.620 0.004 -8.709 1.00 1.30 C ATOM 1408 CG ASN A 89 12.448 -0.291 -9.625 1.00 1.53 C ATOM 1409 OD1 ASN A 89 11.859 -1.373 -9.590 1.00 1.91 O ATOM 1410 ND2 ASN A 89 12.097 0.680 -10.452 1.00 1.75 N ATOM 0 H ASN A 89 14.372 0.135 -6.387 1.00 1.00 H new ATOM 0 HA ASN A 89 13.366 -2.010 -7.942 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.325 0.765 -7.987 1.00 1.30 H new ATOM 0 HB3 ASN A 89 14.436 0.422 -9.298 1.00 1.30 H new ATOM 0 HD21 ASN A 89 11.313 0.547 -11.091 1.00 1.75 H new ATOM 0 HD22 ASN A 89 12.610 1.562 -10.450 1.00 1.75 H new ATOM 1417 N GLU A 90 16.530 -1.595 -8.106 1.00 1.29 N ATOM 1418 CA GLU A 90 17.756 -2.041 -8.749 1.00 1.46 C ATOM 1419 C GLU A 90 18.175 -3.409 -8.231 1.00 1.44 C ATOM 1420 O GLU A 90 18.099 -4.410 -8.944 1.00 1.57 O ATOM 1421 CB GLU A 90 18.873 -1.027 -8.510 1.00 1.60 C ATOM 1422 CG GLU A 90 18.643 0.302 -9.205 1.00 1.82 C ATOM 1423 CD GLU A 90 19.035 0.262 -10.665 1.00 1.96 C ATOM 1424 OE1 GLU A 90 18.175 -0.076 -11.504 1.00 2.26 O ATOM 1425 OE2 GLU A 90 20.201 0.575 -10.982 1.00 2.17 O ATOM 0 H GLU A 90 16.663 -1.137 -7.204 1.00 1.29 H new ATOM 0 HA GLU A 90 17.569 -2.122 -9.820 1.00 1.46 H new ATOM 0 HB2 GLU A 90 18.974 -0.855 -7.438 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.817 -1.450 -8.855 1.00 1.60 H new ATOM 0 HG2 GLU A 90 17.591 0.576 -9.121 1.00 1.82 H new ATOM 0 HG3 GLU A 90 19.216 1.078 -8.698 1.00 1.82 H new ATOM 1432 N ILE A 91 18.607 -3.445 -6.982 1.00 1.38 N ATOM 1433 CA ILE A 91 19.056 -4.675 -6.351 1.00 1.45 C ATOM 1434 C ILE A 91 18.425 -4.803 -4.971 1.00 1.48 C ATOM 1435 O ILE A 91 19.096 -5.121 -3.986 1.00 1.79 O ATOM 1436 CB ILE A 91 20.595 -4.714 -6.209 1.00 1.63 C ATOM 1437 CG1 ILE A 91 21.275 -4.030 -7.399 1.00 2.02 C ATOM 1438 CG2 ILE A 91 21.083 -6.151 -6.078 1.00 1.69 C ATOM 1439 CD1 ILE A 91 21.960 -2.727 -7.038 1.00 2.51 C ATOM 0 H ILE A 91 18.656 -2.625 -6.378 1.00 1.38 H new ATOM 0 HA ILE A 91 18.749 -5.506 -6.987 1.00 1.45 H new ATOM 0 HB ILE A 91 20.862 -4.169 -5.304 1.00 1.63 H new ATOM 0 HG12 ILE A 91 22.010 -4.711 -7.828 1.00 2.02 H new ATOM 0 HG13 ILE A 91 20.530 -3.838 -8.171 1.00 2.02 H new ATOM 0 HG21 ILE A 91 22.168 -6.159 -5.979 1.00 1.69 H new ATOM 0 HG22 ILE A 91 20.635 -6.608 -5.196 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.795 -6.715 -6.965 1.00 1.69 H new ATOM 0 HD11 ILE A 91 22.420 -2.299 -7.929 1.00 2.51 H new ATOM 0 HD12 ILE A 91 21.225 -2.029 -6.637 1.00 2.51 H new ATOM 0 HD13 ILE A 91 22.728 -2.915 -6.288 1.00 2.51 H new ATOM 1451 N GLY A 92 17.160 -4.430 -4.882 1.00 1.53 N ATOM 1452 CA GLY A 92 16.493 -4.398 -3.606 1.00 1.75 C ATOM 1453 C GLY A 92 16.149 -5.772 -3.090 1.00 1.30 C ATOM 1454 O GLY A 92 15.608 -6.606 -3.816 1.00 1.27 O ATOM 0 H GLY A 92 16.584 -4.148 -5.675 1.00 1.53 H new ATOM 0 HA2 GLY A 92 17.130 -3.892 -2.881 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.580 -3.809 -3.693 1.00 1.75 H new ATOM 1458 N THR A 93 16.433 -5.995 -1.822 1.00 1.16 N ATOM 1459 CA THR A 93 16.102 -7.242 -1.170 1.00 0.92 C ATOM 1460 C THR A 93 14.634 -7.233 -0.761 1.00 0.81 C ATOM 1461 O THR A 93 14.170 -6.282 -0.133 1.00 0.82 O ATOM 1462 CB THR A 93 16.996 -7.443 0.063 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.980 -6.400 0.099 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.696 -8.790 0.017 1.00 1.62 C ATOM 0 H THR A 93 16.898 -5.318 -1.218 1.00 1.16 H new ATOM 0 HA THR A 93 16.272 -8.066 -1.863 1.00 0.92 H new ATOM 0 HB THR A 93 16.372 -7.411 0.956 1.00 1.19 H new ATOM 0 HG1 THR A 93 18.554 -6.519 0.884 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.322 -8.905 0.902 1.00 1.62 H new ATOM 0 HG22 THR A 93 16.952 -9.586 -0.007 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.317 -8.847 -0.877 1.00 1.62 H new ATOM 1472 N TRP A 94 13.878 -8.194 -1.278 1.00 0.78 N ATOM 1473 CA TRP A 94 12.435 -8.239 -1.071 1.00 0.75 C ATOM 1474 C TRP A 94 12.083 -8.301 0.413 1.00 0.74 C ATOM 1475 O TRP A 94 12.425 -9.266 1.103 1.00 0.89 O ATOM 1476 CB TRP A 94 11.842 -9.456 -1.787 1.00 0.82 C ATOM 1477 CG TRP A 94 10.988 -9.113 -2.970 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.404 -8.947 -4.256 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.569 -8.906 -2.977 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.332 -8.654 -5.065 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.195 -8.622 -4.302 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.583 -8.938 -1.989 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.875 -8.370 -4.664 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.274 -8.687 -2.348 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.929 -8.407 -3.675 1.00 1.63 C ATOM 0 H TRP A 94 14.243 -8.958 -1.847 1.00 0.78 H new ATOM 0 HA TRP A 94 12.012 -7.323 -1.484 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.655 -10.103 -2.115 1.00 0.82 H new ATOM 0 HB3 TRP A 94 11.246 -10.028 -1.076 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.427 -9.033 -4.591 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.376 -8.487 -6.070 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.840 -9.155 -0.963 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.607 -8.153 -5.687 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.503 -8.707 -1.592 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.896 -8.216 -3.924 1.00 1.63 H new ATOM 1496 N SER A 95 11.367 -7.292 0.886 1.00 0.65 N ATOM 1497 CA SER A 95 10.892 -7.276 2.261 1.00 0.65 C ATOM 1498 C SER A 95 9.556 -8.004 2.357 1.00 0.63 C ATOM 1499 O SER A 95 8.792 -8.038 1.388 1.00 0.72 O ATOM 1500 CB SER A 95 10.745 -5.839 2.758 1.00 0.68 C ATOM 1501 OG SER A 95 11.642 -4.975 2.079 1.00 0.94 O ATOM 0 H SER A 95 11.102 -6.474 0.338 1.00 0.65 H new ATOM 0 HA SER A 95 11.622 -7.787 2.890 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.721 -5.500 2.605 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.937 -5.799 3.830 1.00 0.68 H new ATOM 0 HG SER A 95 11.237 -4.679 1.237 1.00 0.94 H new ATOM 1507 N ASP A 96 9.300 -8.630 3.496 1.00 0.69 N ATOM 1508 CA ASP A 96 8.069 -9.387 3.689 1.00 0.74 C ATOM 1509 C ASP A 96 6.885 -8.446 3.877 1.00 0.63 C ATOM 1510 O ASP A 96 7.065 -7.285 4.253 1.00 0.53 O ATOM 1511 CB ASP A 96 8.192 -10.319 4.897 1.00 0.94 C ATOM 1512 CG ASP A 96 7.336 -11.564 4.758 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.124 -11.501 5.061 1.00 1.57 O ATOM 1514 OD2 ASP A 96 7.871 -12.614 4.344 1.00 1.94 O ATOM 0 H ASP A 96 9.927 -8.630 4.301 1.00 0.69 H new ATOM 0 HA ASP A 96 7.900 -9.990 2.797 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.235 -10.611 5.022 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.901 -9.780 5.799 1.00 0.94 H new ATOM 1519 N TRP A 97 5.685 -8.962 3.634 1.00 0.76 N ATOM 1520 CA TRP A 97 4.448 -8.201 3.800 1.00 0.73 C ATOM 1521 C TRP A 97 4.395 -7.567 5.188 1.00 0.60 C ATOM 1522 O TRP A 97 4.383 -8.271 6.200 1.00 0.76 O ATOM 1523 CB TRP A 97 3.247 -9.126 3.582 1.00 0.99 C ATOM 1524 CG TRP A 97 3.168 -9.678 2.185 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.916 -10.970 1.827 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.341 -8.951 0.959 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.936 -11.090 0.457 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.194 -9.868 -0.095 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.611 -7.612 0.649 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.306 -9.495 -1.432 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.722 -7.243 -0.676 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.571 -8.181 -1.704 1.00 1.26 C ATOM 0 H TRP A 97 5.540 -9.920 3.316 1.00 0.76 H new ATOM 0 HA TRP A 97 4.417 -7.399 3.062 1.00 0.73 H new ATOM 0 HB2 TRP A 97 3.301 -9.953 4.290 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.331 -8.578 3.801 1.00 0.99 H new ATOM 0 HD1 TRP A 97 2.728 -11.779 2.517 1.00 2.12 H new ATOM 0 HE1 TRP A 97 2.783 -11.954 -0.063 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.730 -6.880 1.434 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.188 -10.218 -2.226 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.929 -6.212 -0.924 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.666 -7.861 -2.731 1.00 1.26 H new ATOM 1543 N SER A 98 4.585 -6.255 5.227 1.00 0.41 N ATOM 1544 CA SER A 98 4.779 -5.550 6.484 1.00 0.42 C ATOM 1545 C SER A 98 3.474 -5.022 7.083 1.00 0.38 C ATOM 1546 O SER A 98 2.989 -5.546 8.087 1.00 0.46 O ATOM 1547 CB SER A 98 5.774 -4.406 6.278 1.00 0.51 C ATOM 1548 OG SER A 98 6.715 -4.724 5.264 1.00 0.50 O ATOM 0 H SER A 98 4.609 -5.658 4.400 1.00 0.41 H new ATOM 0 HA SER A 98 5.176 -6.268 7.202 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.237 -3.497 6.008 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.297 -4.202 7.212 1.00 0.51 H new ATOM 0 HG SER A 98 6.772 -5.697 5.164 1.00 0.50 H new ATOM 1554 N VAL A 99 2.989 -3.904 6.551 1.00 0.33 N ATOM 1555 CA VAL A 99 1.852 -3.211 7.145 1.00 0.34 C ATOM 1556 C VAL A 99 0.526 -3.696 6.575 1.00 0.32 C ATOM 1557 O VAL A 99 0.194 -3.422 5.420 1.00 0.34 O ATOM 1558 CB VAL A 99 1.961 -1.682 6.960 1.00 0.42 C ATOM 1559 CG1 VAL A 99 0.767 -0.973 7.589 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.264 -1.170 7.557 1.00 1.32 C ATOM 0 H VAL A 99 3.364 -3.460 5.713 1.00 0.33 H new ATOM 0 HA VAL A 99 1.876 -3.443 8.210 1.00 0.34 H new ATOM 0 HB VAL A 99 1.958 -1.464 5.892 1.00 0.42 H new ATOM 0 HG11 VAL A 99 0.866 0.103 7.446 1.00 1.21 H new ATOM 0 HG12 VAL A 99 -0.152 -1.319 7.116 1.00 1.21 H new ATOM 0 HG13 VAL A 99 0.732 -1.196 8.655 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.328 -0.091 7.420 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.293 -1.403 8.622 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.106 -1.650 7.058 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.256 -4.343 7.424 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.592 -4.785 7.063 1.00 0.41 C ATOM 1572 C ALA A 100 -2.621 -3.716 7.415 1.00 0.43 C ATOM 1573 O ALA A 100 -3.350 -3.836 8.402 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.920 -6.095 7.761 1.00 0.50 C ATOM 0 H ALA A 100 0.017 -4.576 8.379 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.625 -4.950 5.986 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.924 -6.415 7.482 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.200 -6.857 7.462 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.871 -5.954 8.841 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.665 -2.667 6.614 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.588 -1.567 6.845 1.00 0.36 C ATOM 1582 C ALA A 101 -4.943 -1.854 6.214 1.00 0.41 C ATOM 1583 O ALA A 101 -5.101 -1.777 5.000 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.013 -0.269 6.298 1.00 0.42 C ATOM 0 H ALA A 101 -2.070 -2.552 5.794 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.729 -1.461 7.921 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -3.715 0.545 6.479 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.069 -0.051 6.797 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -2.842 -0.370 5.226 1.00 0.42 H new ATOM 1590 N HIS A 102 -5.931 -2.145 7.042 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.279 -2.382 6.549 1.00 0.57 C ATOM 1592 C HIS A 102 -8.199 -1.239 6.954 1.00 0.50 C ATOM 1593 O HIS A 102 -8.168 -0.781 8.099 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.834 -3.728 7.046 1.00 0.95 C ATOM 1595 CG HIS A 102 -7.859 -3.893 8.537 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -8.947 -3.559 9.314 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -6.925 -4.374 9.388 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -8.678 -3.821 10.578 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -7.459 -4.317 10.651 1.00 2.00 N ATOM 0 H HIS A 102 -5.828 -2.223 8.054 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.234 -2.428 5.461 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -8.848 -3.848 6.665 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -7.235 -4.531 6.617 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -9.823 -3.170 8.966 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -5.942 -4.736 9.123 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -9.344 -3.657 11.412 1.00 2.18 H new ATOM 1608 N ALA A 103 -8.969 -0.743 5.999 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.865 0.379 6.246 1.00 0.54 C ATOM 1610 C ALA A 103 -11.150 0.237 5.444 1.00 0.36 C ATOM 1611 O ALA A 103 -11.298 -0.693 4.652 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.176 1.694 5.913 1.00 0.91 C ATOM 0 H ALA A 103 -8.993 -1.099 5.044 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.123 0.378 7.305 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.860 2.521 6.103 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.288 1.807 6.535 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.886 1.697 4.862 1.00 0.91 H new ATOM 1618 N THR A 104 -12.064 1.168 5.648 1.00 0.41 N ATOM 1619 CA THR A 104 -13.340 1.164 4.961 1.00 0.38 C ATOM 1620 C THR A 104 -13.546 2.485 4.236 1.00 0.41 C ATOM 1621 O THR A 104 -13.342 3.553 4.818 1.00 0.51 O ATOM 1622 CB THR A 104 -14.500 0.956 5.956 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.994 0.466 7.208 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.530 -0.015 5.401 1.00 0.70 C ATOM 0 H THR A 104 -11.942 1.947 6.295 1.00 0.41 H new ATOM 0 HA THR A 104 -13.332 0.343 4.244 1.00 0.38 H new ATOM 0 HB THR A 104 -14.986 1.919 6.114 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.737 0.339 7.834 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.336 -0.143 6.124 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.937 0.379 4.470 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.057 -0.978 5.212 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.944 2.436 2.956 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.214 3.637 2.168 1.00 0.38 C ATOM 1634 C PRO A 105 -15.486 4.344 2.634 1.00 0.40 C ATOM 1635 O PRO A 105 -16.050 4.003 3.678 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.383 3.119 0.733 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.021 1.670 0.762 1.00 0.45 C ATOM 1638 CD PRO A 105 -14.182 1.214 2.184 1.00 0.40 C ATOM 0 HA PRO A 105 -13.415 4.372 2.264 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.408 3.256 0.389 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.739 3.666 0.044 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.666 1.096 0.096 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -12.997 1.520 0.421 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -15.178 0.810 2.367 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.468 0.431 2.439 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.949 5.309 1.856 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.155 6.038 2.207 1.00 0.41 C ATOM 1648 C TRP A 106 -18.391 5.210 1.897 1.00 0.48 C ATOM 1649 O TRP A 106 -18.822 5.124 0.747 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.227 7.379 1.473 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.428 8.192 1.861 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -18.776 8.584 3.121 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.448 8.694 0.989 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -19.950 9.294 3.084 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.380 9.380 1.789 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.664 8.631 -0.389 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -21.507 9.999 1.255 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.783 9.245 -0.918 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.693 9.922 -0.096 1.00 1.07 C ATOM 0 H TRP A 106 -15.511 5.604 0.983 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.120 6.236 3.278 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.323 7.952 1.683 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.248 7.199 0.398 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.211 8.367 4.015 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -20.426 9.694 3.893 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.968 8.111 -1.031 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.210 10.522 1.887 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.959 9.202 -1.983 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.558 10.392 -0.539 1.00 1.07 H new ATOM 1670 N THR A 107 -18.980 4.634 2.931 1.00 0.60 N ATOM 1671 CA THR A 107 -20.200 3.870 2.775 1.00 0.75 C ATOM 1672 C THR A 107 -21.380 4.806 2.536 1.00 0.82 C ATOM 1673 O THR A 107 -21.851 5.474 3.461 1.00 0.89 O ATOM 1674 CB THR A 107 -20.473 2.996 4.012 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.258 2.365 4.438 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.523 1.936 3.709 1.00 1.19 C ATOM 0 H THR A 107 -18.630 4.683 3.888 1.00 0.60 H new ATOM 0 HA THR A 107 -20.076 3.215 1.913 1.00 0.75 H new ATOM 0 HB THR A 107 -20.851 3.637 4.808 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.764 2.044 3.655 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.698 1.332 4.599 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.453 2.420 3.411 1.00 1.19 H new ATOM 0 HG23 THR A 107 -21.171 1.296 2.900 1.00 1.19 H new ATOM 1684 N GLU A 108 -21.809 4.894 1.287 1.00 1.03 N ATOM 1685 CA GLU A 108 -22.917 5.761 0.922 1.00 1.27 C ATOM 1686 C GLU A 108 -24.234 5.050 1.190 1.00 1.32 C ATOM 1687 O GLU A 108 -24.511 4.001 0.610 1.00 1.87 O ATOM 1688 CB GLU A 108 -22.812 6.164 -0.546 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.889 7.137 -0.995 1.00 2.11 C ATOM 1690 CD GLU A 108 -24.491 6.749 -2.325 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -23.747 6.704 -3.326 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -25.714 6.504 -2.381 1.00 3.25 O ATOM 0 H GLU A 108 -21.405 4.374 0.508 1.00 1.03 H new ATOM 0 HA GLU A 108 -22.877 6.667 1.527 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -21.834 6.613 -0.720 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -22.865 5.267 -1.164 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -24.675 7.179 -0.241 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -23.464 8.138 -1.069 1.00 2.11 H new ATOM 1699 N GLU A 109 -24.977 5.555 2.158 1.00 1.51 N ATOM 1700 CA GLU A 109 -26.202 4.908 2.598 1.00 1.77 C ATOM 1701 C GLU A 109 -27.410 5.771 2.269 1.00 2.52 C ATOM 1702 O GLU A 109 -28.540 5.233 2.233 1.00 3.20 O ATOM 1703 CB GLU A 109 -26.143 4.629 4.103 1.00 2.25 C ATOM 1704 CG GLU A 109 -24.741 4.323 4.610 1.00 2.64 C ATOM 1705 CD GLU A 109 -24.347 5.160 5.808 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -24.642 6.377 5.817 1.00 4.37 O ATOM 1707 OE2 GLU A 109 -23.718 4.611 6.734 1.00 3.99 O ATOM 1708 OXT GLU A 109 -27.224 6.983 2.038 1.00 2.99 O ATOM 0 H GLU A 109 -24.753 6.416 2.657 1.00 1.51 H new ATOM 0 HA GLU A 109 -26.301 3.960 2.069 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -26.534 5.493 4.640 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -26.796 3.787 4.334 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -24.679 3.268 4.876 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -24.025 4.491 3.805 1.00 2.64 H new TER 1715 GLU A 109