USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 764 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 19 THR OG1 : rot -97:sc= -1.66! USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.906 USER MOD Set 2.1: A 14 THR OG1 : rot 72:sc= 1.2 USER MOD Set 2.2: A 17 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.0016) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.023 (180deg=-0.244) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= 0.0411 (180deg=0.000819) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 5:sc= 0.432 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00902) USER MOD Single : A 34 THR OG1 : rot -62:sc= 1.01 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= -0.53 (180deg=-0.828) USER MOD Single : A 45 ASN : amide:sc= -4.32! C(o=-4.3!,f=-4.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.92! C(o=-2.9!,f=-5.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 59 ASN : amide:sc= -3.95! C(o=-3.9!,f=-9.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 130:sc= -0.213 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -13.5! C(o=-13!,f=-15!) USER MOD Single : A 86 SER OG : rot 153:sc= -1.1! USER MOD Single : A 89 SER OG : rot -157:sc= -0.558 USER MOD Single : A 92 SER OG : rot -124:sc= -1.21 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -47:sc= -0.282 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -17.781 -3.956 -5.564 1.00 0.68 N ATOM 27 CA ILE A 2 -16.823 -3.118 -4.859 1.00 0.61 C ATOM 28 C ILE A 2 -15.654 -2.730 -5.757 1.00 0.57 C ATOM 29 O ILE A 2 -15.284 -3.467 -6.671 1.00 0.63 O ATOM 30 CB ILE A 2 -16.282 -3.820 -3.600 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.292 -2.908 -2.873 1.00 0.60 C ATOM 32 CG2 ILE A 2 -15.627 -5.143 -3.967 1.00 0.66 C ATOM 33 CD1 ILE A 2 -14.682 -3.530 -1.629 1.00 0.56 C ATOM 0 HA ILE A 2 -17.357 -2.215 -4.562 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.116 -4.029 -2.930 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -14.492 -2.635 -3.561 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -15.801 -1.985 -2.594 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.250 -5.625 -3.065 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.360 -5.792 -4.446 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -14.800 -4.962 -4.654 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -13.991 -2.823 -1.170 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.473 -3.777 -0.921 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.143 -4.437 -1.903 1.00 0.56 H new ATOM 45 N ASP A 3 -15.076 -1.566 -5.482 1.00 0.55 N ATOM 46 CA ASP A 3 -13.944 -1.070 -6.257 1.00 0.54 C ATOM 47 C ASP A 3 -12.805 -0.642 -5.330 1.00 0.47 C ATOM 48 O ASP A 3 -13.031 0.066 -4.348 1.00 0.49 O ATOM 49 CB ASP A 3 -14.378 0.108 -7.133 1.00 0.61 C ATOM 50 CG ASP A 3 -15.174 -0.335 -8.346 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.191 -1.551 -8.632 1.00 1.64 O ATOM 52 OD2 ASP A 3 -15.779 0.533 -9.009 1.00 2.00 O ATOM 0 H ASP A 3 -15.373 -0.947 -4.727 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.586 -1.875 -6.899 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.979 0.797 -6.539 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.496 0.657 -7.462 1.00 0.61 H new ATOM 57 N PRO A 4 -11.564 -1.068 -5.624 1.00 0.44 N ATOM 58 CA PRO A 4 -10.400 -0.726 -4.804 1.00 0.41 C ATOM 59 C PRO A 4 -9.874 0.681 -5.086 1.00 0.38 C ATOM 60 O PRO A 4 -10.309 1.339 -6.030 1.00 0.43 O ATOM 61 CB PRO A 4 -9.377 -1.783 -5.209 1.00 0.45 C ATOM 62 CG PRO A 4 -9.699 -2.079 -6.634 1.00 0.50 C ATOM 63 CD PRO A 4 -11.194 -1.920 -6.771 1.00 0.50 C ATOM 0 HA PRO A 4 -10.632 -0.720 -3.739 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.358 -1.413 -5.100 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -9.460 -2.675 -4.589 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.172 -1.397 -7.302 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.389 -3.089 -6.901 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.461 -1.453 -7.719 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -11.704 -2.883 -6.735 1.00 0.50 H new ATOM 71 N PRO A 5 -8.926 1.160 -4.261 1.00 0.37 N ATOM 72 CA PRO A 5 -8.337 2.496 -4.409 1.00 0.39 C ATOM 73 C PRO A 5 -7.735 2.728 -5.792 1.00 0.38 C ATOM 74 O PRO A 5 -7.640 1.806 -6.604 1.00 0.47 O ATOM 75 CB PRO A 5 -7.238 2.534 -3.337 1.00 0.46 C ATOM 76 CG PRO A 5 -7.030 1.114 -2.932 1.00 0.71 C ATOM 77 CD PRO A 5 -8.357 0.440 -3.111 1.00 0.43 C ATOM 0 HA PRO A 5 -9.090 3.276 -4.295 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.319 2.969 -3.731 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.540 3.145 -2.486 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.265 0.640 -3.547 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -6.694 1.048 -1.897 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.247 -0.625 -3.313 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -8.983 0.533 -2.223 1.00 0.43 H new ATOM 85 N GLY A 6 -7.333 3.969 -6.053 1.00 0.37 N ATOM 86 CA GLY A 6 -6.748 4.313 -7.339 1.00 0.39 C ATOM 87 C GLY A 6 -5.231 4.239 -7.342 1.00 0.42 C ATOM 88 O GLY A 6 -4.576 5.034 -6.671 1.00 0.66 O ATOM 0 H GLY A 6 -7.402 4.745 -5.395 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.140 3.640 -8.102 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -7.057 5.321 -7.614 1.00 0.39 H new ATOM 92 N LYS A 7 -4.695 3.280 -8.118 1.00 0.41 N ATOM 93 CA LYS A 7 -3.244 3.041 -8.275 1.00 0.44 C ATOM 94 C LYS A 7 -2.377 3.814 -7.270 1.00 0.37 C ATOM 95 O LYS A 7 -2.260 5.037 -7.359 1.00 0.42 O ATOM 96 CB LYS A 7 -2.826 3.405 -9.698 1.00 0.54 C ATOM 97 CG LYS A 7 -1.447 2.894 -10.076 1.00 0.64 C ATOM 98 CD LYS A 7 -0.504 4.035 -10.419 1.00 1.01 C ATOM 99 CE LYS A 7 0.853 3.855 -9.760 1.00 0.95 C ATOM 100 NZ LYS A 7 1.892 3.419 -10.735 1.00 1.52 N ATOM 0 H LYS A 7 -5.267 2.636 -8.665 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.077 1.983 -8.074 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.558 3.001 -10.397 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.845 4.489 -9.807 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.034 2.315 -9.250 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.529 2.220 -10.929 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.379 4.093 -11.500 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.943 4.980 -10.098 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.160 4.794 -9.299 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.773 3.118 -8.961 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.803 3.308 -10.245 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.613 2.510 -11.157 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.987 4.134 -11.484 1.00 1.52 H new ATOM 114 N PRO A 8 -1.763 3.116 -6.296 1.00 0.34 N ATOM 115 CA PRO A 8 -0.915 3.752 -5.271 1.00 0.32 C ATOM 116 C PRO A 8 0.390 4.310 -5.839 1.00 0.33 C ATOM 117 O PRO A 8 1.028 3.689 -6.689 1.00 0.44 O ATOM 118 CB PRO A 8 -0.646 2.612 -4.271 1.00 0.39 C ATOM 119 CG PRO A 8 -1.657 1.560 -4.609 1.00 0.44 C ATOM 120 CD PRO A 8 -1.838 1.660 -6.091 1.00 0.41 C ATOM 0 HA PRO A 8 -1.402 4.618 -4.823 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.370 2.230 -4.370 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.759 2.953 -3.242 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.307 0.569 -4.320 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.597 1.732 -4.084 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.059 1.128 -6.637 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.793 1.248 -6.417 1.00 0.41 H new ATOM 128 N VAL A 9 0.776 5.499 -5.364 1.00 0.34 N ATOM 129 CA VAL A 9 2.001 6.158 -5.825 1.00 0.38 C ATOM 130 C VAL A 9 2.798 6.746 -4.654 1.00 0.34 C ATOM 131 O VAL A 9 2.352 7.697 -4.011 1.00 0.35 O ATOM 132 CB VAL A 9 1.703 7.304 -6.823 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.828 7.425 -7.839 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.364 7.106 -7.522 1.00 1.09 C ATOM 0 H VAL A 9 0.257 6.024 -4.660 1.00 0.34 H new ATOM 0 HA VAL A 9 2.585 5.384 -6.323 1.00 0.38 H new ATOM 0 HB VAL A 9 1.640 8.233 -6.256 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.605 8.234 -8.534 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.764 7.638 -7.322 1.00 0.53 H new ATOM 0 HG13 VAL A 9 2.923 6.489 -8.390 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.190 7.930 -8.214 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.377 6.166 -8.073 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.434 7.081 -6.780 1.00 1.09 H new ATOM 144 N PRO A 10 3.986 6.189 -4.357 1.00 0.34 N ATOM 145 CA PRO A 10 4.835 6.664 -3.258 1.00 0.32 C ATOM 146 C PRO A 10 5.362 8.081 -3.459 1.00 0.37 C ATOM 147 O PRO A 10 6.191 8.325 -4.336 1.00 0.64 O ATOM 148 CB PRO A 10 6.006 5.677 -3.235 1.00 0.38 C ATOM 149 CG PRO A 10 5.563 4.509 -4.047 1.00 0.39 C ATOM 150 CD PRO A 10 4.593 5.050 -5.056 1.00 0.42 C ATOM 0 HA PRO A 10 4.265 6.706 -2.330 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.906 6.127 -3.654 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.245 5.377 -2.215 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.411 4.031 -4.538 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.091 3.753 -3.419 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.096 5.361 -5.972 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.848 4.306 -5.338 1.00 0.42 H new ATOM 158 N LEU A 11 4.895 9.010 -2.626 1.00 0.34 N ATOM 159 CA LEU A 11 5.348 10.395 -2.704 1.00 0.43 C ATOM 160 C LEU A 11 6.786 10.469 -2.221 1.00 0.43 C ATOM 161 O LEU A 11 7.601 11.232 -2.738 1.00 0.57 O ATOM 162 CB LEU A 11 4.468 11.316 -1.848 1.00 0.56 C ATOM 163 CG LEU A 11 2.955 11.208 -2.080 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.639 10.927 -3.543 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.358 10.139 -1.180 1.00 1.12 C ATOM 0 H LEU A 11 4.208 8.829 -1.894 1.00 0.34 H new ATOM 0 HA LEU A 11 5.278 10.729 -3.739 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.670 11.105 -0.798 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.771 12.347 -2.030 1.00 0.56 H new ATOM 0 HG LEU A 11 2.503 12.167 -1.825 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.559 10.856 -3.675 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.028 11.736 -4.161 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.104 9.987 -3.842 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.284 10.074 -1.356 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.821 9.177 -1.401 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.540 10.398 -0.137 1.00 1.12 H new ATOM 177 N ASN A 12 7.081 9.644 -1.224 1.00 0.34 N ATOM 178 CA ASN A 12 8.413 9.563 -0.646 1.00 0.36 C ATOM 179 C ASN A 12 8.777 8.101 -0.452 1.00 0.37 C ATOM 180 O ASN A 12 7.953 7.309 -0.002 1.00 0.58 O ATOM 181 CB ASN A 12 8.471 10.310 0.688 1.00 0.42 C ATOM 182 CG ASN A 12 9.883 10.725 1.052 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.753 9.744 1.261 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.190 11.914 1.143 1.00 0.71 N flip ATOM 0 H ASN A 12 6.403 9.014 -0.795 1.00 0.34 H new ATOM 0 HA ASN A 12 9.129 10.032 -1.321 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.837 11.195 0.635 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.066 9.675 1.476 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.490 12.636 0.974 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.145 12.177 1.387 1.00 0.71 H new ATOM 191 N ILE A 13 9.997 7.733 -0.808 1.00 0.38 N ATOM 192 CA ILE A 13 10.419 6.349 -0.677 1.00 0.43 C ATOM 193 C ILE A 13 11.801 6.224 -0.050 1.00 0.53 C ATOM 194 O ILE A 13 12.768 5.854 -0.717 1.00 0.75 O ATOM 195 CB ILE A 13 10.404 5.655 -2.044 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.308 6.415 -3.025 1.00 0.49 C ATOM 197 CG2 ILE A 13 8.965 5.567 -2.552 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.010 6.143 -4.482 1.00 0.96 C ATOM 0 H ILE A 13 10.704 8.364 -1.185 1.00 0.38 H new ATOM 0 HA ILE A 13 9.709 5.860 -0.010 1.00 0.43 H new ATOM 0 HB ILE A 13 10.794 4.641 -1.953 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.208 7.484 -2.839 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.346 6.152 -2.823 1.00 0.49 H new ATOM 0 HG21 ILE A 13 8.952 5.074 -3.524 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.364 4.994 -1.846 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.551 6.571 -2.649 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.693 6.719 -5.107 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.139 5.080 -4.687 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.983 6.434 -4.704 1.00 0.96 H new ATOM 210 N THR A 14 11.884 6.525 1.241 1.00 0.59 N ATOM 211 CA THR A 14 13.145 6.436 1.967 1.00 0.71 C ATOM 212 C THR A 14 13.591 4.981 2.069 1.00 0.79 C ATOM 213 O THR A 14 12.773 4.067 1.976 1.00 1.46 O ATOM 214 CB THR A 14 12.994 7.035 3.366 1.00 0.75 C ATOM 215 OG1 THR A 14 11.633 7.296 3.655 1.00 0.69 O ATOM 216 CG2 THR A 14 13.758 8.328 3.550 1.00 0.94 C ATOM 0 H THR A 14 11.093 6.833 1.806 1.00 0.59 H new ATOM 0 HA THR A 14 13.901 7.001 1.422 1.00 0.71 H new ATOM 0 HB THR A 14 13.406 6.289 4.045 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.160 6.449 3.793 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.607 8.698 4.564 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.820 8.150 3.383 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.397 9.068 2.836 1.00 0.94 H new ATOM 224 N ARG A 15 14.888 4.771 2.262 1.00 0.66 N ATOM 225 CA ARG A 15 15.422 3.409 2.374 1.00 0.67 C ATOM 226 C ARG A 15 14.939 2.721 3.655 1.00 0.71 C ATOM 227 O ARG A 15 15.151 1.521 3.834 1.00 1.19 O ATOM 228 CB ARG A 15 16.964 3.359 2.309 1.00 0.80 C ATOM 229 CG ARG A 15 17.678 4.703 2.341 1.00 0.96 C ATOM 230 CD ARG A 15 17.576 5.365 3.706 1.00 1.13 C ATOM 231 NE ARG A 15 18.772 6.137 4.032 1.00 1.43 N ATOM 232 CZ ARG A 15 18.941 6.779 5.183 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.993 6.740 6.110 1.00 2.42 N ATOM 234 NH2 ARG A 15 20.057 7.462 5.409 1.00 1.90 N ATOM 0 H ARG A 15 15.585 5.511 2.344 1.00 0.66 H new ATOM 0 HA ARG A 15 15.037 2.870 1.508 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.324 2.759 3.145 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.253 2.839 1.396 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.728 4.563 2.083 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.249 5.361 1.585 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.705 6.020 3.727 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.419 4.602 4.468 1.00 1.13 H new ATOM 0 HE ARG A 15 19.518 6.186 3.338 1.00 1.43 H new ATOM 0 HH11 ARG A 15 17.134 6.217 5.939 1.00 2.42 H new ATOM 0 HH12 ARG A 15 18.123 7.233 6.993 1.00 2.42 H new ATOM 0 HH21 ARG A 15 20.788 7.495 4.698 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.184 7.954 6.294 1.00 1.90 H new ATOM 248 N HIS A 16 14.285 3.472 4.542 1.00 0.50 N ATOM 249 CA HIS A 16 13.780 2.908 5.790 1.00 0.54 C ATOM 250 C HIS A 16 12.306 3.247 5.997 1.00 0.57 C ATOM 251 O HIS A 16 11.796 3.160 7.113 1.00 0.97 O ATOM 252 CB HIS A 16 14.592 3.426 6.977 1.00 0.67 C ATOM 253 CG HIS A 16 15.821 2.619 7.261 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.915 1.699 8.280 1.00 0.97 N ATOM 255 CD2 HIS A 16 17.022 2.603 6.631 1.00 0.78 C ATOM 256 CE1 HIS A 16 17.143 1.167 8.242 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.855 1.681 7.258 1.00 0.86 N ATOM 0 H HIS A 16 14.094 4.466 4.419 1.00 0.50 H new ATOM 0 HA HIS A 16 13.881 1.825 5.725 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.882 4.459 6.785 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.959 3.433 7.864 1.00 0.67 H new ATOM 0 HD2 HIS A 16 17.289 3.209 5.778 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.504 0.415 8.928 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.817 1.451 7.008 1.00 0.86 H new ATOM 265 N THR A 17 11.625 3.636 4.922 1.00 0.43 N ATOM 266 CA THR A 17 10.211 3.988 5.003 1.00 0.42 C ATOM 267 C THR A 17 9.690 4.462 3.652 1.00 0.38 C ATOM 268 O THR A 17 10.235 5.392 3.057 1.00 0.56 O ATOM 269 CB THR A 17 9.987 5.077 6.056 1.00 0.56 C ATOM 270 OG1 THR A 17 11.220 5.634 6.482 1.00 0.65 O ATOM 271 CG2 THR A 17 9.259 4.581 7.285 1.00 0.68 C ATOM 0 H THR A 17 12.028 3.715 3.988 1.00 0.43 H new ATOM 0 HA THR A 17 9.661 3.094 5.295 1.00 0.42 H new ATOM 0 HB THR A 17 9.368 5.826 5.563 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.051 6.328 7.153 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.134 5.403 7.990 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.280 4.197 6.998 1.00 0.68 H new ATOM 0 HG23 THR A 17 9.838 3.785 7.754 1.00 0.68 H new ATOM 279 N VAL A 18 8.631 3.820 3.173 1.00 0.27 N ATOM 280 CA VAL A 18 8.039 4.180 1.895 1.00 0.33 C ATOM 281 C VAL A 18 6.628 4.740 2.080 1.00 0.32 C ATOM 282 O VAL A 18 5.716 4.029 2.503 1.00 0.51 O ATOM 283 CB VAL A 18 7.993 2.973 0.939 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.539 3.413 -0.442 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.356 2.289 0.870 1.00 0.46 C ATOM 0 H VAL A 18 8.167 3.048 3.652 1.00 0.27 H new ATOM 0 HA VAL A 18 8.671 4.951 1.455 1.00 0.33 H new ATOM 0 HB VAL A 18 7.273 2.251 1.324 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.511 2.550 -1.108 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.544 3.852 -0.375 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.236 4.153 -0.836 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.303 1.439 0.190 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.101 2.998 0.508 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.639 1.941 1.863 1.00 0.46 H new ATOM 295 N THR A 19 6.464 6.023 1.766 1.00 0.27 N ATOM 296 CA THR A 19 5.176 6.699 1.897 1.00 0.24 C ATOM 297 C THR A 19 4.469 6.807 0.549 1.00 0.22 C ATOM 298 O THR A 19 5.048 7.304 -0.418 1.00 0.34 O ATOM 299 CB THR A 19 5.381 8.100 2.488 1.00 0.28 C ATOM 300 OG1 THR A 19 5.736 8.021 3.856 1.00 0.35 O ATOM 301 CG2 THR A 19 4.161 8.995 2.381 1.00 0.32 C ATOM 0 H THR A 19 7.214 6.619 1.416 1.00 0.27 H new ATOM 0 HA THR A 19 4.549 6.108 2.564 1.00 0.24 H new ATOM 0 HB THR A 19 6.181 8.541 1.893 1.00 0.28 H new ATOM 0 HG1 THR A 19 4.938 8.152 4.409 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.384 9.968 2.820 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.894 9.123 1.332 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.327 8.539 2.914 1.00 0.32 H new ATOM 309 N LEU A 20 3.214 6.354 0.496 1.00 0.28 N ATOM 310 CA LEU A 20 2.439 6.418 -0.739 1.00 0.26 C ATOM 311 C LEU A 20 1.003 6.852 -0.488 1.00 0.28 C ATOM 312 O LEU A 20 0.424 6.598 0.571 1.00 0.40 O ATOM 313 CB LEU A 20 2.451 5.077 -1.502 1.00 0.33 C ATOM 314 CG LEU A 20 2.962 3.855 -0.732 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.422 4.034 -0.349 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.103 3.585 0.494 1.00 0.52 C ATOM 0 H LEU A 20 2.719 5.943 1.288 1.00 0.28 H new ATOM 0 HA LEU A 20 2.925 7.171 -1.359 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.436 4.867 -1.839 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.064 5.198 -2.395 1.00 0.33 H new ATOM 0 HG LEU A 20 2.889 2.986 -1.386 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.765 3.155 0.197 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.022 4.158 -1.250 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.527 4.917 0.282 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.487 2.713 1.023 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.130 4.451 1.155 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.075 3.398 0.184 1.00 0.52 H new ATOM 328 N LYS A 21 0.445 7.509 -1.495 1.00 0.25 N ATOM 329 CA LYS A 21 -0.924 8.000 -1.453 1.00 0.31 C ATOM 330 C LYS A 21 -1.637 7.616 -2.742 1.00 0.31 C ATOM 331 O LYS A 21 -1.013 7.539 -3.801 1.00 0.51 O ATOM 332 CB LYS A 21 -0.942 9.517 -1.269 1.00 0.40 C ATOM 333 CG LYS A 21 -2.223 10.036 -0.642 1.00 0.81 C ATOM 334 CD LYS A 21 -3.397 9.909 -1.597 1.00 0.95 C ATOM 335 CE LYS A 21 -4.172 11.212 -1.703 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.355 12.299 -2.309 1.00 1.84 N ATOM 0 H LYS A 21 0.931 7.717 -2.367 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.441 7.548 -0.606 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.097 9.809 -0.645 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.802 9.994 -2.239 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.434 9.481 0.272 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.094 11.080 -0.358 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.035 9.618 -2.583 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -4.062 9.116 -1.255 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -5.067 11.053 -2.304 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.504 11.518 -0.711 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.984 13.019 -2.718 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.759 12.735 -1.576 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.750 11.903 -3.057 1.00 1.84 H new ATOM 350 N TRP A 22 -2.935 7.361 -2.659 1.00 0.25 N ATOM 351 CA TRP A 22 -3.695 6.969 -3.837 1.00 0.24 C ATOM 352 C TRP A 22 -4.993 7.750 -3.975 1.00 0.24 C ATOM 353 O TRP A 22 -5.278 8.657 -3.194 1.00 0.40 O ATOM 354 CB TRP A 22 -4.006 5.483 -3.766 1.00 0.27 C ATOM 355 CG TRP A 22 -4.514 5.053 -2.433 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.804 4.766 -2.108 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.744 4.866 -1.243 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.884 4.402 -0.786 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.633 4.457 -0.235 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.390 5.000 -0.933 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.213 4.181 1.062 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.972 4.726 0.356 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.882 4.321 1.340 1.00 0.32 C ATOM 0 H TRP A 22 -3.479 7.418 -1.798 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.083 7.192 -4.711 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.747 5.237 -4.527 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.105 4.918 -4.004 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.641 4.817 -2.789 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.737 4.134 -0.295 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.682 5.312 -1.686 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.913 3.867 1.822 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.927 4.826 0.608 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.525 4.115 2.338 1.00 0.32 H new ATOM 374 N ALA A 23 -5.776 7.378 -4.982 1.00 0.31 N ATOM 375 CA ALA A 23 -7.050 8.025 -5.245 1.00 0.33 C ATOM 376 C ALA A 23 -8.196 7.284 -4.573 1.00 0.36 C ATOM 377 O ALA A 23 -8.001 6.240 -3.951 1.00 0.83 O ATOM 378 CB ALA A 23 -7.290 8.113 -6.745 1.00 0.36 C ATOM 0 H ALA A 23 -5.546 6.626 -5.632 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.011 9.031 -4.827 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.247 8.599 -6.932 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.492 8.693 -7.208 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.303 7.110 -7.171 1.00 0.36 H new ATOM 384 N LYS A 24 -9.396 7.835 -4.712 1.00 0.59 N ATOM 385 CA LYS A 24 -10.588 7.236 -4.129 1.00 0.61 C ATOM 386 C LYS A 24 -11.338 6.424 -5.179 1.00 0.59 C ATOM 387 O LYS A 24 -11.455 6.846 -6.329 1.00 0.69 O ATOM 388 CB LYS A 24 -11.499 8.331 -3.565 1.00 0.74 C ATOM 389 CG LYS A 24 -12.444 7.850 -2.475 1.00 1.21 C ATOM 390 CD LYS A 24 -13.675 7.171 -3.057 1.00 1.22 C ATOM 391 CE LYS A 24 -14.846 8.135 -3.168 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.881 7.646 -4.120 1.00 2.11 N ATOM 0 H LYS A 24 -9.568 8.699 -5.226 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.288 6.570 -3.320 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.880 9.134 -3.166 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -12.086 8.756 -4.379 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.920 7.154 -1.820 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.751 8.696 -1.860 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.438 6.770 -4.043 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.957 6.326 -2.428 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.295 8.275 -2.185 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.484 9.110 -3.495 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.463 8.446 -4.441 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.418 7.204 -4.940 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.486 6.946 -3.645 1.00 2.11 H new ATOM 406 N PRO A 25 -11.859 5.245 -4.799 1.00 0.56 N ATOM 407 CA PRO A 25 -12.601 4.378 -5.715 1.00 0.63 C ATOM 408 C PRO A 25 -13.650 5.150 -6.511 1.00 0.75 C ATOM 409 O PRO A 25 -13.813 6.356 -6.335 1.00 0.89 O ATOM 410 CB PRO A 25 -13.276 3.352 -4.795 1.00 0.63 C ATOM 411 CG PRO A 25 -12.990 3.797 -3.394 1.00 0.71 C ATOM 412 CD PRO A 25 -11.769 4.661 -3.457 1.00 0.58 C ATOM 0 HA PRO A 25 -11.946 3.924 -6.459 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.350 3.311 -4.979 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -12.883 2.351 -4.974 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.835 4.350 -2.984 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.824 2.939 -2.742 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.774 5.426 -2.681 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.855 4.081 -3.328 1.00 0.58 H new ATOM 420 N GLU A 26 -14.354 4.450 -7.394 1.00 0.85 N ATOM 421 CA GLU A 26 -15.376 5.084 -8.221 1.00 1.05 C ATOM 422 C GLU A 26 -16.779 4.593 -7.876 1.00 0.95 C ATOM 423 O GLU A 26 -17.768 5.209 -8.273 1.00 1.12 O ATOM 424 CB GLU A 26 -15.090 4.822 -9.699 1.00 1.29 C ATOM 425 CG GLU A 26 -13.617 4.910 -10.060 1.00 1.83 C ATOM 426 CD GLU A 26 -13.366 4.700 -11.541 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.106 5.289 -12.357 1.00 2.53 O ATOM 428 OE2 GLU A 26 -12.432 3.945 -11.883 1.00 2.77 O ATOM 0 H GLU A 26 -14.237 3.450 -7.556 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.339 6.155 -8.020 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.461 3.831 -9.962 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.646 5.541 -10.301 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.232 5.886 -9.765 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.062 4.163 -9.492 1.00 1.83 H new ATOM 435 N TYR A 27 -16.874 3.483 -7.149 1.00 0.85 N ATOM 436 CA TYR A 27 -18.177 2.941 -6.783 1.00 0.84 C ATOM 437 C TYR A 27 -18.209 2.431 -5.347 1.00 0.86 C ATOM 438 O TYR A 27 -18.921 2.976 -4.504 1.00 1.37 O ATOM 439 CB TYR A 27 -18.565 1.807 -7.734 1.00 0.86 C ATOM 440 CG TYR A 27 -20.058 1.580 -7.809 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.895 2.542 -8.362 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.631 0.410 -7.328 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.261 2.343 -8.432 1.00 1.28 C ATOM 444 CE2 TYR A 27 -21.995 0.205 -7.396 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.805 1.173 -7.948 1.00 1.19 C ATOM 446 OH TYR A 27 -24.165 0.969 -8.016 1.00 1.35 O ATOM 0 H TYR A 27 -16.076 2.948 -6.806 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.895 3.757 -6.864 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.187 2.032 -8.731 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.079 0.887 -7.409 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.471 3.459 -8.743 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.000 -0.351 -6.894 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.899 3.100 -8.864 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.425 -0.711 -7.018 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.384 0.094 -7.633 1.00 1.35 H new ATOM 456 N THR A 28 -17.448 1.374 -5.080 1.00 0.65 N ATOM 457 CA THR A 28 -17.403 0.776 -3.751 1.00 0.61 C ATOM 458 C THR A 28 -18.799 0.417 -3.282 1.00 0.66 C ATOM 459 O THR A 28 -19.165 0.685 -2.139 1.00 0.81 O ATOM 460 CB THR A 28 -16.744 1.713 -2.741 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.520 2.881 -2.546 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.358 2.141 -3.147 1.00 0.79 C ATOM 0 H THR A 28 -16.853 0.913 -5.769 1.00 0.65 H new ATOM 0 HA THR A 28 -16.803 -0.131 -3.819 1.00 0.61 H new ATOM 0 HB THR A 28 -16.675 1.137 -1.818 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.359 2.804 -3.047 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.945 2.805 -2.388 1.00 0.79 H new ATOM 0 HG22 THR A 28 -14.720 1.263 -3.246 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.404 2.665 -4.101 1.00 0.79 H new ATOM 470 N GLY A 29 -19.578 -0.193 -4.171 1.00 0.75 N ATOM 471 CA GLY A 29 -20.931 -0.584 -3.826 1.00 0.80 C ATOM 472 C GLY A 29 -21.676 0.509 -3.075 1.00 0.85 C ATOM 473 O GLY A 29 -22.260 1.407 -3.680 1.00 1.01 O ATOM 0 H GLY A 29 -19.295 -0.423 -5.124 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.477 -0.834 -4.736 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -20.901 -1.486 -3.215 1.00 0.80 H new ATOM 477 N GLY A 30 -21.633 0.430 -1.753 1.00 0.83 N ATOM 478 CA GLY A 30 -22.280 1.412 -0.909 1.00 0.89 C ATOM 479 C GLY A 30 -21.520 1.547 0.387 1.00 0.85 C ATOM 480 O GLY A 30 -22.105 1.601 1.469 1.00 0.98 O ATOM 0 H GLY A 30 -21.152 -0.311 -1.243 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.321 2.374 -1.420 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.309 1.113 -0.709 1.00 0.89 H new ATOM 484 N PHE A 31 -20.198 1.565 0.263 1.00 0.73 N ATOM 485 CA PHE A 31 -19.311 1.651 1.414 1.00 0.69 C ATOM 486 C PHE A 31 -18.300 2.785 1.252 1.00 0.67 C ATOM 487 O PHE A 31 -18.337 3.526 0.271 1.00 0.74 O ATOM 488 CB PHE A 31 -18.594 0.305 1.609 1.00 0.63 C ATOM 489 CG PHE A 31 -19.314 -0.860 0.982 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.314 -1.535 1.668 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.977 -1.281 -0.292 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.965 -2.607 1.089 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.624 -2.352 -0.877 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.664 -3.000 -0.164 1.00 0.83 C ATOM 0 H PHE A 31 -19.714 1.521 -0.634 1.00 0.73 H new ATOM 0 HA PHE A 31 -19.907 1.872 2.299 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.592 0.372 1.185 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.477 0.117 2.676 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.586 -1.219 2.664 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.199 -0.766 -0.836 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.724 -3.136 1.647 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.342 -2.691 -1.863 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.214 -3.807 -0.625 1.00 0.83 H new ATOM 504 N LYS A 32 -17.401 2.919 2.226 1.00 0.68 N ATOM 505 CA LYS A 32 -16.389 3.973 2.192 1.00 0.72 C ATOM 506 C LYS A 32 -15.011 3.449 2.600 1.00 0.66 C ATOM 507 O LYS A 32 -14.132 4.222 2.976 1.00 0.74 O ATOM 508 CB LYS A 32 -16.801 5.124 3.113 1.00 0.86 C ATOM 509 CG LYS A 32 -15.820 6.286 3.118 1.00 1.38 C ATOM 510 CD LYS A 32 -15.071 6.381 4.438 1.00 1.38 C ATOM 511 CE LYS A 32 -14.889 7.826 4.873 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.040 8.592 3.919 1.00 2.26 N ATOM 0 H LYS A 32 -17.353 2.313 3.045 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.319 4.332 1.165 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.781 5.489 2.807 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.906 4.744 4.129 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.107 6.164 2.302 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.357 7.217 2.936 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.617 5.834 5.207 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -14.096 5.904 4.339 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.864 8.305 4.956 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.436 7.852 5.864 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.899 9.558 4.278 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -13.118 8.121 3.820 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.510 8.633 2.992 1.00 2.26 H new ATOM 526 N ILE A 33 -14.823 2.136 2.519 1.00 0.67 N ATOM 527 CA ILE A 33 -13.546 1.525 2.879 1.00 0.66 C ATOM 528 C ILE A 33 -13.236 1.721 4.363 1.00 0.80 C ATOM 529 O ILE A 33 -13.348 0.787 5.157 1.00 1.71 O ATOM 530 CB ILE A 33 -12.388 2.098 2.038 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.696 1.967 0.547 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.089 1.388 2.371 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.683 2.994 0.045 1.00 0.91 C ATOM 0 H ILE A 33 -15.535 1.475 2.208 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.639 0.459 2.671 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.278 3.155 2.279 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -11.768 2.060 -0.017 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.090 0.970 0.351 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.282 1.805 1.769 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.860 1.524 3.428 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.190 0.324 2.156 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.855 2.843 -1.021 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.625 2.887 0.584 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.282 3.994 0.209 1.00 0.91 H new ATOM 545 N THR A 34 -12.847 2.938 4.733 1.00 0.72 N ATOM 546 CA THR A 34 -12.524 3.251 6.122 1.00 0.73 C ATOM 547 C THR A 34 -11.406 2.350 6.644 1.00 0.59 C ATOM 548 O THR A 34 -11.370 2.010 7.826 1.00 0.76 O ATOM 549 CB THR A 34 -13.767 3.105 7.001 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.947 1.756 7.393 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.040 3.559 6.318 1.00 1.15 C ATOM 0 H THR A 34 -12.748 3.724 4.090 1.00 0.72 H new ATOM 0 HA THR A 34 -12.177 4.284 6.162 1.00 0.73 H new ATOM 0 HB THR A 34 -13.588 3.747 7.864 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.091 1.201 6.598 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.883 3.429 6.996 1.00 1.15 H new ATOM 0 HG22 THR A 34 -14.952 4.611 6.046 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.202 2.965 5.419 1.00 1.15 H new ATOM 559 N SER A 35 -10.497 1.969 5.752 1.00 0.49 N ATOM 560 CA SER A 35 -9.373 1.109 6.115 1.00 0.47 C ATOM 561 C SER A 35 -8.622 0.644 4.872 1.00 0.45 C ATOM 562 O SER A 35 -9.134 -0.158 4.093 1.00 0.72 O ATOM 563 CB SER A 35 -9.856 -0.107 6.907 1.00 0.64 C ATOM 564 OG SER A 35 -8.953 -1.193 6.781 1.00 1.58 O ATOM 0 H SER A 35 -10.516 2.243 4.770 1.00 0.49 H new ATOM 0 HA SER A 35 -8.696 1.693 6.738 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.963 0.160 7.958 1.00 0.64 H new ATOM 0 HB3 SER A 35 -10.842 -0.407 6.552 1.00 0.64 H new ATOM 0 HG SER A 35 -9.285 -1.956 7.298 1.00 1.58 H new ATOM 570 N TYR A 36 -7.407 1.148 4.695 1.00 0.27 N ATOM 571 CA TYR A 36 -6.588 0.779 3.549 1.00 0.28 C ATOM 572 C TYR A 36 -5.378 -0.045 3.982 1.00 0.33 C ATOM 573 O TYR A 36 -4.302 0.496 4.239 1.00 0.68 O ATOM 574 CB TYR A 36 -6.137 2.028 2.796 1.00 0.29 C ATOM 575 CG TYR A 36 -7.206 2.603 1.894 1.00 0.33 C ATOM 576 CD1 TYR A 36 -7.797 1.833 0.901 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.623 3.921 2.035 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.773 2.358 0.074 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.597 4.454 1.215 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.177 3.655 0.235 1.00 0.60 C ATOM 581 OH TYR A 36 -10.140 4.197 -0.585 1.00 0.76 O ATOM 0 H TYR A 36 -6.968 1.813 5.331 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.194 0.165 2.883 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.832 2.787 3.516 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.259 1.785 2.198 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.489 0.806 0.772 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.177 4.539 2.800 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.215 1.745 -0.697 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.906 5.482 1.333 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.304 5.128 -0.326 1.00 0.76 H new ATOM 591 N ILE A 37 -5.570 -1.358 4.058 1.00 0.24 N ATOM 592 CA ILE A 37 -4.508 -2.274 4.459 1.00 0.26 C ATOM 593 C ILE A 37 -3.546 -2.549 3.309 1.00 0.33 C ATOM 594 O ILE A 37 -3.726 -3.502 2.555 1.00 0.70 O ATOM 595 CB ILE A 37 -5.076 -3.625 4.950 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.395 -3.418 5.700 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.066 -4.334 5.839 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.615 -3.786 4.884 1.00 1.14 C ATOM 0 H ILE A 37 -6.457 -1.814 3.846 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.976 -1.785 5.275 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.272 -4.250 4.079 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.383 -4.015 6.612 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.472 -2.374 6.004 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.482 -5.284 6.176 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.151 -4.518 5.276 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.840 -3.709 6.703 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.514 -3.615 5.476 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.650 -3.171 3.985 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.561 -4.838 4.602 1.00 1.14 H new ATOM 610 N VAL A 38 -2.517 -1.722 3.181 1.00 0.36 N ATOM 611 CA VAL A 38 -1.529 -1.908 2.121 1.00 0.42 C ATOM 612 C VAL A 38 -0.606 -3.077 2.472 1.00 0.35 C ATOM 613 O VAL A 38 -0.038 -3.131 3.563 1.00 0.48 O ATOM 614 CB VAL A 38 -0.714 -0.608 1.838 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.464 0.173 3.116 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.601 -0.901 1.120 1.00 0.51 C ATOM 0 H VAL A 38 -2.343 -0.923 3.790 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.064 -2.142 1.200 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.320 0.007 1.173 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.106 1.073 2.887 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.418 0.452 3.565 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.099 -0.445 3.816 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.135 0.033 0.943 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.214 -1.558 1.737 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.394 -1.387 0.166 1.00 0.51 H new ATOM 626 N GLU A 39 -0.479 -4.014 1.539 1.00 0.30 N ATOM 627 CA GLU A 39 0.352 -5.194 1.733 1.00 0.33 C ATOM 628 C GLU A 39 1.720 -5.034 1.067 1.00 0.32 C ATOM 629 O GLU A 39 1.833 -4.439 -0.004 1.00 0.43 O ATOM 630 CB GLU A 39 -0.372 -6.417 1.166 1.00 0.42 C ATOM 631 CG GLU A 39 -1.800 -6.567 1.671 1.00 0.51 C ATOM 632 CD GLU A 39 -1.972 -7.759 2.592 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.731 -7.609 3.808 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.347 -8.842 2.097 1.00 1.67 O ATOM 0 H GLU A 39 -0.946 -3.977 0.633 1.00 0.30 H new ATOM 0 HA GLU A 39 0.522 -5.326 2.802 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.385 -6.349 0.078 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.192 -7.314 1.423 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.091 -5.659 2.200 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.473 -6.670 0.820 1.00 0.51 H new ATOM 641 N LYS A 40 2.757 -5.573 1.711 1.00 0.28 N ATOM 642 CA LYS A 40 4.121 -5.498 1.183 1.00 0.31 C ATOM 643 C LYS A 40 4.495 -6.786 0.461 1.00 0.29 C ATOM 644 O LYS A 40 4.049 -7.868 0.836 1.00 0.35 O ATOM 645 CB LYS A 40 5.135 -5.283 2.305 1.00 0.43 C ATOM 646 CG LYS A 40 5.053 -3.949 3.010 1.00 0.92 C ATOM 647 CD LYS A 40 6.450 -3.394 3.258 1.00 1.14 C ATOM 648 CE LYS A 40 6.986 -3.820 4.615 1.00 1.65 C ATOM 649 NZ LYS A 40 6.854 -5.288 4.824 1.00 1.97 N ATOM 0 H LYS A 40 2.678 -6.067 2.600 1.00 0.28 H new ATOM 0 HA LYS A 40 4.145 -4.656 0.491 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.005 -6.073 3.044 1.00 0.43 H new ATOM 0 HB3 LYS A 40 6.137 -5.395 1.891 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.477 -3.247 2.407 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.526 -4.063 3.957 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.124 -3.740 2.474 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.426 -2.306 3.201 1.00 1.14 H new ATOM 0 HE2 LYS A 40 8.034 -3.534 4.698 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.448 -3.291 5.401 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.350 -5.560 5.697 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.848 -5.538 4.905 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.272 -5.793 4.017 1.00 1.97 H new ATOM 663 N ARG A 41 5.333 -6.667 -0.558 1.00 0.36 N ATOM 664 CA ARG A 41 5.779 -7.829 -1.314 1.00 0.40 C ATOM 665 C ARG A 41 7.223 -7.656 -1.759 1.00 0.41 C ATOM 666 O ARG A 41 7.487 -7.196 -2.869 1.00 0.43 O ATOM 667 CB ARG A 41 4.881 -8.065 -2.530 1.00 0.46 C ATOM 668 CG ARG A 41 5.426 -9.099 -3.508 1.00 0.58 C ATOM 669 CD ARG A 41 4.331 -10.013 -4.027 1.00 0.88 C ATOM 670 NE ARG A 41 3.931 -9.667 -5.386 1.00 0.95 N ATOM 671 CZ ARG A 41 3.006 -10.329 -6.072 1.00 1.13 C ATOM 672 NH1 ARG A 41 2.393 -11.370 -5.526 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.693 -9.951 -7.303 1.00 1.44 N ATOM 0 H ARG A 41 5.718 -5.779 -0.881 1.00 0.36 H new ATOM 0 HA ARG A 41 5.714 -8.699 -0.661 1.00 0.40 H new ATOM 0 HB2 ARG A 41 3.898 -8.387 -2.186 1.00 0.46 H new ATOM 0 HB3 ARG A 41 4.742 -7.120 -3.055 1.00 0.46 H new ATOM 0 HG2 ARG A 41 5.904 -8.591 -4.346 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.195 -9.695 -3.016 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.679 -11.046 -4.003 1.00 0.88 H new ATOM 0 HD3 ARG A 41 3.465 -9.953 -3.368 1.00 0.88 H new ATOM 0 HE ARG A 41 4.387 -8.872 -5.835 1.00 0.95 H new ATOM 0 HH11 ARG A 41 2.632 -11.663 -4.579 1.00 1.44 H new ATOM 0 HH12 ARG A 41 1.683 -11.878 -6.053 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.163 -9.150 -7.726 1.00 1.44 H new ATOM 0 HH22 ARG A 41 1.982 -10.461 -7.828 1.00 1.44 H new ATOM 687 N ASP A 42 8.151 -8.038 -0.892 1.00 0.50 N ATOM 688 CA ASP A 42 9.573 -7.943 -1.196 1.00 0.57 C ATOM 689 C ASP A 42 9.872 -8.535 -2.569 1.00 0.62 C ATOM 690 O ASP A 42 9.197 -9.460 -3.017 1.00 0.91 O ATOM 691 CB ASP A 42 10.384 -8.699 -0.139 1.00 0.71 C ATOM 692 CG ASP A 42 9.586 -9.805 0.524 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.494 -10.138 0.019 1.00 1.49 O ATOM 694 OD2 ASP A 42 10.056 -10.340 1.551 1.00 1.59 O ATOM 0 H ASP A 42 7.943 -8.418 0.031 1.00 0.50 H new ATOM 0 HA ASP A 42 9.852 -6.889 -1.194 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.273 -9.125 -0.604 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.727 -7.997 0.621 1.00 0.71 H new ATOM 699 N LEU A 43 10.891 -8.019 -3.235 1.00 0.63 N ATOM 700 CA LEU A 43 11.250 -8.549 -4.546 1.00 0.68 C ATOM 701 C LEU A 43 12.712 -9.006 -4.580 1.00 0.81 C ATOM 702 O LEU A 43 13.617 -8.182 -4.711 1.00 0.90 O ATOM 703 CB LEU A 43 11.012 -7.533 -5.655 1.00 0.62 C ATOM 704 CG LEU A 43 9.577 -7.018 -5.788 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.578 -8.157 -5.633 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.314 -5.924 -4.769 1.00 0.80 C ATOM 0 H LEU A 43 11.475 -7.251 -2.903 1.00 0.63 H new ATOM 0 HA LEU A 43 10.602 -9.408 -4.720 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.670 -6.680 -5.488 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.306 -7.982 -6.603 1.00 0.62 H new ATOM 0 HG LEU A 43 9.451 -6.596 -6.785 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.565 -7.768 -5.731 1.00 0.70 H new ATOM 0 HD12 LEU A 43 8.756 -8.905 -6.406 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.697 -8.615 -4.651 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.290 -5.567 -4.875 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.458 -6.321 -3.764 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.005 -5.098 -4.935 1.00 0.80 H new ATOM 718 N PRO A 44 12.970 -10.326 -4.471 1.00 0.92 N ATOM 719 CA PRO A 44 11.943 -11.348 -4.314 1.00 0.99 C ATOM 720 C PRO A 44 11.611 -11.542 -2.829 1.00 1.15 C ATOM 721 O PRO A 44 11.488 -10.571 -2.094 1.00 1.43 O ATOM 722 CB PRO A 44 12.649 -12.555 -4.935 1.00 1.15 C ATOM 723 CG PRO A 44 14.029 -12.419 -4.420 1.00 1.25 C ATOM 724 CD PRO A 44 14.314 -10.942 -4.484 1.00 1.08 C ATOM 0 HA PRO A 44 10.979 -11.131 -4.775 1.00 0.99 H new ATOM 0 HB2 PRO A 44 12.192 -13.495 -4.627 1.00 1.15 H new ATOM 0 HB3 PRO A 44 12.618 -12.527 -6.024 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.110 -12.795 -3.400 1.00 1.25 H new ATOM 0 HG3 PRO A 44 14.736 -12.986 -5.026 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.914 -10.613 -3.636 1.00 1.08 H new ATOM 0 HD3 PRO A 44 14.866 -10.679 -5.386 1.00 1.08 H new ATOM 732 N ASN A 45 11.479 -12.781 -2.390 1.00 1.14 N ATOM 733 CA ASN A 45 11.169 -13.092 -0.991 1.00 1.33 C ATOM 734 C ASN A 45 10.093 -12.160 -0.437 1.00 1.43 C ATOM 735 O ASN A 45 10.192 -11.686 0.694 1.00 2.42 O ATOM 736 CB ASN A 45 12.429 -13.019 -0.109 1.00 1.66 C ATOM 737 CG ASN A 45 13.550 -12.190 -0.714 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.474 -10.963 -0.768 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.602 -12.863 -1.168 1.00 1.89 N ATOM 0 H ASN A 45 11.582 -13.603 -2.985 1.00 1.14 H new ATOM 0 HA ASN A 45 10.787 -14.113 -0.969 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.160 -12.598 0.860 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.794 -14.030 0.073 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.388 -12.362 -1.581 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.623 -13.881 -1.103 1.00 1.89 H new ATOM 746 N GLY A 46 9.066 -11.898 -1.239 1.00 0.90 N ATOM 747 CA GLY A 46 8.002 -11.018 -0.797 1.00 1.12 C ATOM 748 C GLY A 46 6.646 -11.685 -0.726 1.00 0.76 C ATOM 749 O GLY A 46 6.336 -12.583 -1.509 1.00 0.96 O ATOM 0 H GLY A 46 8.952 -12.276 -2.179 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.255 -10.624 0.188 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.942 -10.167 -1.475 1.00 1.12 H new ATOM 753 N ARG A 47 5.834 -11.226 0.217 1.00 0.80 N ATOM 754 CA ARG A 47 4.493 -11.747 0.414 1.00 0.76 C ATOM 755 C ARG A 47 3.584 -10.631 0.916 1.00 0.85 C ATOM 756 O ARG A 47 3.854 -10.015 1.947 1.00 1.71 O ATOM 757 CB ARG A 47 4.512 -12.903 1.412 1.00 0.99 C ATOM 758 CG ARG A 47 4.823 -12.466 2.832 1.00 1.31 C ATOM 759 CD ARG A 47 6.158 -11.746 2.915 1.00 1.11 C ATOM 760 NE ARG A 47 6.843 -12.007 4.179 1.00 1.41 N ATOM 761 CZ ARG A 47 7.594 -13.082 4.406 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.757 -13.996 3.458 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.183 -13.246 5.584 1.00 2.03 N ATOM 0 H ARG A 47 6.089 -10.482 0.866 1.00 0.80 H new ATOM 0 HA ARG A 47 4.112 -12.122 -0.536 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.543 -13.403 1.397 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.254 -13.636 1.094 1.00 0.99 H new ATOM 0 HG2 ARG A 47 4.032 -11.809 3.193 1.00 1.31 H new ATOM 0 HG3 ARG A 47 4.837 -13.337 3.487 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.792 -12.062 2.087 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.999 -10.673 2.804 1.00 1.11 H new ATOM 0 HE ARG A 47 6.740 -11.326 4.931 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.306 -13.876 2.551 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.333 -14.818 3.636 1.00 2.41 H new ATOM 0 HH21 ARG A 47 8.060 -12.548 6.317 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.758 -14.071 5.756 1.00 2.03 H new ATOM 777 N TRP A 48 2.513 -10.365 0.178 1.00 0.50 N ATOM 778 CA TRP A 48 1.569 -9.313 0.543 1.00 0.43 C ATOM 779 C TRP A 48 1.253 -9.350 2.038 1.00 0.45 C ATOM 780 O TRP A 48 0.379 -10.092 2.482 1.00 0.65 O ATOM 781 CB TRP A 48 0.289 -9.430 -0.286 1.00 0.47 C ATOM 782 CG TRP A 48 0.560 -9.360 -1.756 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.204 -10.278 -2.698 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.264 -8.322 -2.452 1.00 0.39 C ATOM 785 NE1 TRP A 48 0.639 -9.875 -3.936 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.292 -8.677 -3.812 1.00 0.42 C ATOM 787 CE3 TRP A 48 1.869 -7.124 -2.060 1.00 0.36 C ATOM 788 CZ2 TRP A 48 1.906 -7.878 -4.776 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.476 -6.337 -3.016 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.489 -6.719 -4.360 1.00 0.38 C ATOM 0 H TRP A 48 2.275 -10.864 -0.679 1.00 0.50 H new ATOM 0 HA TRP A 48 2.034 -8.351 0.325 1.00 0.43 H new ATOM 0 HB2 TRP A 48 -0.207 -10.372 -0.054 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.398 -8.631 -0.006 1.00 0.47 H new ATOM 0 HD1 TRP A 48 -0.341 -11.189 -2.500 1.00 0.52 H new ATOM 0 HE1 TRP A 48 0.499 -10.385 -4.808 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.861 -6.819 -1.024 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 1.919 -8.168 -5.816 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.948 -5.412 -2.721 1.00 0.36 H new ATOM 0 HH2 TRP A 48 2.972 -6.081 -5.085 1.00 0.38 H new ATOM 801 N LEU A 49 1.983 -8.543 2.806 1.00 0.38 N ATOM 802 CA LEU A 49 1.790 -8.479 4.249 1.00 0.42 C ATOM 803 C LEU A 49 1.386 -7.073 4.677 1.00 0.36 C ATOM 804 O LEU A 49 2.017 -6.090 4.291 1.00 0.39 O ATOM 805 CB LEU A 49 3.076 -8.896 4.969 1.00 0.52 C ATOM 806 CG LEU A 49 2.953 -10.140 5.852 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.328 -11.289 5.076 1.00 0.84 C ATOM 808 CD2 LEU A 49 4.315 -10.542 6.396 1.00 1.28 C ATOM 0 H LEU A 49 2.713 -7.925 2.451 1.00 0.38 H new ATOM 0 HA LEU A 49 0.989 -9.166 4.520 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.850 -9.075 4.223 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.414 -8.064 5.586 1.00 0.52 H new ATOM 0 HG LEU A 49 2.302 -9.901 6.693 1.00 0.67 H new ATOM 0 HD11 LEU A 49 2.249 -12.164 5.721 1.00 0.84 H new ATOM 0 HD12 LEU A 49 1.334 -10.999 4.735 1.00 0.84 H new ATOM 0 HD13 LEU A 49 2.952 -11.528 4.215 1.00 0.84 H new ATOM 0 HD21 LEU A 49 4.210 -11.428 7.022 1.00 1.28 H new ATOM 0 HD22 LEU A 49 4.988 -10.761 5.567 1.00 1.28 H new ATOM 0 HD23 LEU A 49 4.725 -9.725 6.990 1.00 1.28 H new ATOM 820 N LYS A 50 0.329 -6.984 5.479 1.00 0.40 N ATOM 821 CA LYS A 50 -0.156 -5.697 5.959 1.00 0.40 C ATOM 822 C LYS A 50 0.837 -5.073 6.935 1.00 0.47 C ATOM 823 O LYS A 50 0.570 -4.978 8.133 1.00 0.85 O ATOM 824 CB LYS A 50 -1.519 -5.863 6.632 1.00 0.59 C ATOM 825 CG LYS A 50 -1.515 -6.849 7.789 1.00 0.72 C ATOM 826 CD LYS A 50 -2.538 -6.466 8.846 1.00 1.03 C ATOM 827 CE LYS A 50 -3.934 -6.355 8.253 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.860 -7.381 8.809 1.00 1.30 N ATOM 0 H LYS A 50 -0.206 -7.787 5.809 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.262 -5.031 5.102 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.855 -4.892 6.995 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.244 -6.193 5.888 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.731 -7.850 7.417 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.522 -6.883 8.237 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.537 -7.211 9.642 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.257 -5.515 9.299 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -4.334 -5.361 8.451 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.878 -6.466 7.170 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.800 -7.270 8.378 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.493 -8.331 8.598 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.935 -7.259 9.839 1.00 1.30 H new ATOM 842 N ALA A 51 1.985 -4.651 6.413 1.00 0.45 N ATOM 843 CA ALA A 51 3.021 -4.037 7.235 1.00 0.63 C ATOM 844 C ALA A 51 2.441 -2.966 8.150 1.00 0.55 C ATOM 845 O ALA A 51 2.853 -2.828 9.303 1.00 0.72 O ATOM 846 CB ALA A 51 4.109 -3.440 6.356 1.00 0.86 C ATOM 0 H ALA A 51 2.221 -4.723 5.423 1.00 0.45 H new ATOM 0 HA ALA A 51 3.455 -4.817 7.861 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.875 -2.985 6.984 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.557 -4.226 5.748 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.675 -2.681 5.705 1.00 0.86 H new ATOM 852 N ASN A 52 1.486 -2.204 7.628 1.00 0.42 N ATOM 853 CA ASN A 52 0.857 -1.138 8.398 1.00 0.43 C ATOM 854 C ASN A 52 0.362 -1.639 9.751 1.00 0.59 C ATOM 855 O ASN A 52 0.768 -1.127 10.795 1.00 1.60 O ATOM 856 CB ASN A 52 -0.302 -0.520 7.614 1.00 0.38 C ATOM 857 CG ASN A 52 -1.184 -1.562 6.955 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.726 -2.346 6.124 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.460 -1.575 7.327 1.00 0.62 N ATOM 0 H ASN A 52 1.131 -2.305 6.677 1.00 0.42 H new ATOM 0 HA ASN A 52 1.614 -0.375 8.577 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.906 0.089 8.286 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.097 0.148 6.851 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.103 -2.254 6.920 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.796 -0.906 8.020 1.00 0.62 H new ATOM 866 N PHE A 53 -0.523 -2.634 9.734 1.00 0.81 N ATOM 867 CA PHE A 53 -1.082 -3.197 10.967 1.00 0.82 C ATOM 868 C PHE A 53 -2.206 -2.318 11.517 1.00 0.84 C ATOM 869 O PHE A 53 -3.301 -2.803 11.793 1.00 1.20 O ATOM 870 CB PHE A 53 0.006 -3.375 12.037 1.00 0.96 C ATOM 871 CG PHE A 53 -0.241 -4.524 12.981 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.491 -5.124 13.068 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.782 -5.005 13.784 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.714 -6.174 13.934 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.564 -6.057 14.654 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.685 -6.643 14.728 1.00 1.96 C ATOM 0 H PHE A 53 -0.870 -3.069 8.880 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.493 -4.175 10.717 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.966 -3.525 11.542 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.086 -2.454 12.615 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.299 -4.763 12.449 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.761 -4.552 13.729 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.692 -6.629 13.991 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.369 -6.420 15.275 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.857 -7.466 15.405 1.00 1.96 H new ATOM 886 N SER A 54 -1.928 -1.024 11.677 1.00 0.79 N ATOM 887 CA SER A 54 -2.920 -0.089 12.196 1.00 0.89 C ATOM 888 C SER A 54 -4.052 0.122 11.196 1.00 0.95 C ATOM 889 O SER A 54 -4.153 -0.592 10.198 1.00 1.89 O ATOM 890 CB SER A 54 -2.259 1.251 12.523 1.00 1.00 C ATOM 891 OG SER A 54 -2.749 1.779 13.745 1.00 1.71 O ATOM 0 H SER A 54 -1.026 -0.603 11.455 1.00 0.79 H new ATOM 0 HA SER A 54 -3.342 -0.515 13.106 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.179 1.121 12.587 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.447 1.959 11.716 1.00 1.00 H new ATOM 0 HG SER A 54 -2.309 2.635 13.931 1.00 1.71 H new ATOM 897 N ASN A 55 -4.902 1.106 11.471 1.00 0.75 N ATOM 898 CA ASN A 55 -6.029 1.413 10.600 1.00 0.69 C ATOM 899 C ASN A 55 -5.702 2.579 9.673 1.00 0.66 C ATOM 900 O ASN A 55 -5.635 3.730 10.105 1.00 1.05 O ATOM 901 CB ASN A 55 -7.268 1.744 11.437 1.00 0.84 C ATOM 902 CG ASN A 55 -8.563 1.383 10.735 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.763 1.925 9.538 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -9.378 0.625 11.263 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.831 1.706 12.293 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.233 0.534 9.988 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.213 1.211 12.386 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -7.270 2.809 11.670 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.185 0.230 12.184 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -10.245 0.392 10.780 1.00 0.83 H new ATOM 911 N ILE A 56 -5.502 2.275 8.395 1.00 0.40 N ATOM 912 CA ILE A 56 -5.187 3.298 7.406 1.00 0.33 C ATOM 913 C ILE A 56 -6.463 3.904 6.831 1.00 0.31 C ATOM 914 O ILE A 56 -6.853 3.605 5.703 1.00 0.53 O ATOM 915 CB ILE A 56 -4.333 2.727 6.259 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.092 2.028 6.818 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.935 3.836 5.298 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.128 1.555 5.751 1.00 0.69 C ATOM 0 H ILE A 56 -5.553 1.328 8.020 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.615 4.074 7.915 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.925 1.992 5.713 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.571 2.712 7.488 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.406 1.173 7.416 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.332 3.419 4.492 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.831 4.295 4.881 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.356 4.590 5.832 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.273 1.070 6.222 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.632 0.846 5.094 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.784 2.409 5.167 1.00 0.69 H new ATOM 930 N LEU A 57 -7.110 4.756 7.620 1.00 0.44 N ATOM 931 CA LEU A 57 -8.348 5.407 7.202 1.00 0.45 C ATOM 932 C LEU A 57 -8.183 6.095 5.851 1.00 0.42 C ATOM 933 O LEU A 57 -8.612 5.574 4.820 1.00 0.60 O ATOM 934 CB LEU A 57 -8.796 6.424 8.255 1.00 0.48 C ATOM 935 CG LEU A 57 -10.078 6.057 9.006 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.350 7.061 10.116 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.254 5.987 8.044 1.00 0.72 C ATOM 0 H LEU A 57 -6.796 5.013 8.556 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.112 4.636 7.100 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.992 6.551 8.980 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.942 7.388 7.768 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.946 5.074 9.459 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.265 6.785 10.640 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.516 7.062 10.818 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.464 8.056 9.686 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.158 5.725 8.593 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.389 6.956 7.564 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.058 5.230 7.285 1.00 0.72 H new ATOM 949 N GLU A 58 -7.562 7.269 5.862 1.00 0.39 N ATOM 950 CA GLU A 58 -7.345 8.028 4.641 1.00 0.43 C ATOM 951 C GLU A 58 -6.559 7.207 3.631 1.00 0.51 C ATOM 952 O GLU A 58 -6.132 6.089 3.920 1.00 1.09 O ATOM 953 CB GLU A 58 -6.603 9.327 4.953 1.00 0.44 C ATOM 954 CG GLU A 58 -5.340 9.120 5.769 1.00 0.44 C ATOM 955 CD GLU A 58 -5.521 9.485 7.229 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.591 10.695 7.533 1.00 1.29 O ATOM 957 OE2 GLU A 58 -5.595 8.563 8.068 1.00 1.54 O ATOM 0 H GLU A 58 -7.200 7.714 6.705 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.316 8.269 4.209 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.345 9.823 4.017 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.271 9.997 5.495 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.031 8.077 5.695 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.536 9.721 5.345 1.00 0.44 H new ATOM 964 N ASN A 59 -6.374 7.770 2.447 1.00 0.31 N ATOM 965 CA ASN A 59 -5.641 7.092 1.388 1.00 0.28 C ATOM 966 C ASN A 59 -4.169 7.496 1.391 1.00 0.28 C ATOM 967 O ASN A 59 -3.477 7.362 0.379 1.00 0.49 O ATOM 968 CB ASN A 59 -6.268 7.402 0.031 1.00 0.32 C ATOM 969 CG ASN A 59 -6.271 8.885 -0.279 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.649 9.680 0.427 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.974 9.267 -1.338 1.00 0.91 N ATOM 0 H ASN A 59 -6.721 8.695 2.195 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.698 6.019 1.571 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.721 6.872 -0.749 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.292 7.028 0.013 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.014 10.253 -1.595 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.474 8.574 -1.895 1.00 0.91 H new ATOM 978 N GLU A 60 -3.693 7.983 2.533 1.00 0.29 N ATOM 979 CA GLU A 60 -2.301 8.400 2.668 1.00 0.29 C ATOM 980 C GLU A 60 -1.649 7.684 3.845 1.00 0.27 C ATOM 981 O GLU A 60 -1.970 7.958 5.001 1.00 0.35 O ATOM 982 CB GLU A 60 -2.215 9.917 2.862 1.00 0.34 C ATOM 983 CG GLU A 60 -0.809 10.474 2.701 1.00 0.49 C ATOM 984 CD GLU A 60 0.038 9.653 1.749 1.00 1.26 C ATOM 985 OE1 GLU A 60 0.328 8.481 2.071 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.411 10.182 0.680 1.00 1.91 O ATOM 0 H GLU A 60 -4.251 8.099 3.379 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.769 8.134 1.755 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.874 10.404 2.144 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.585 10.169 3.856 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.868 11.500 2.337 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.322 10.510 3.676 1.00 0.49 H new ATOM 993 N PHE A 61 -0.739 6.762 3.549 1.00 0.24 N ATOM 994 CA PHE A 61 -0.058 6.009 4.597 1.00 0.24 C ATOM 995 C PHE A 61 1.439 5.886 4.321 1.00 0.24 C ATOM 996 O PHE A 61 1.903 6.122 3.205 1.00 0.25 O ATOM 997 CB PHE A 61 -0.681 4.612 4.733 1.00 0.28 C ATOM 998 CG PHE A 61 0.099 3.693 5.630 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.087 3.722 7.002 1.00 0.41 C ATOM 1000 CD2 PHE A 61 1.005 2.790 5.098 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.618 2.870 7.828 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.715 1.936 5.921 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.562 2.010 7.287 1.00 0.48 C ATOM 0 H PHE A 61 -0.457 6.519 2.599 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.182 6.556 5.532 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.695 4.711 5.121 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.761 4.160 3.744 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.792 4.419 7.431 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.158 2.753 4.030 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.435 2.873 8.892 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.390 1.210 5.492 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.175 1.401 7.935 1.00 0.48 H new ATOM 1013 N THR A 62 2.186 5.504 5.356 1.00 0.25 N ATOM 1014 CA THR A 62 3.625 5.334 5.248 1.00 0.27 C ATOM 1015 C THR A 62 4.046 3.956 5.747 1.00 0.29 C ATOM 1016 O THR A 62 3.862 3.626 6.918 1.00 0.35 O ATOM 1017 CB THR A 62 4.353 6.423 6.037 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.026 7.708 5.541 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.861 6.282 5.999 1.00 0.37 C ATOM 0 H THR A 62 1.810 5.306 6.283 1.00 0.25 H new ATOM 0 HA THR A 62 3.898 5.419 4.196 1.00 0.27 H new ATOM 0 HB THR A 62 4.020 6.304 7.068 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.501 8.390 6.060 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.316 7.086 6.578 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.147 5.321 6.425 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.206 6.338 4.967 1.00 0.37 H new ATOM 1027 N VAL A 63 4.612 3.155 4.849 1.00 0.31 N ATOM 1028 CA VAL A 63 5.058 1.813 5.198 1.00 0.36 C ATOM 1029 C VAL A 63 6.432 1.844 5.858 1.00 0.38 C ATOM 1030 O VAL A 63 7.414 2.282 5.257 1.00 0.50 O ATOM 1031 CB VAL A 63 5.113 0.899 3.961 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.249 -0.554 4.382 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.877 1.097 3.099 1.00 0.58 C ATOM 0 H VAL A 63 4.772 3.413 3.875 1.00 0.31 H new ATOM 0 HA VAL A 63 4.330 1.412 5.903 1.00 0.36 H new ATOM 0 HB VAL A 63 5.988 1.167 3.369 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.287 -1.188 3.496 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.165 -0.682 4.958 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.393 -0.837 4.994 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.932 0.443 2.229 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.986 0.855 3.679 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.825 2.135 2.770 1.00 0.58 H new ATOM 1043 N SER A 64 6.493 1.377 7.101 1.00 0.49 N ATOM 1044 CA SER A 64 7.743 1.350 7.850 1.00 0.55 C ATOM 1045 C SER A 64 8.172 -0.085 8.141 1.00 0.63 C ATOM 1046 O SER A 64 7.561 -1.035 7.654 1.00 0.99 O ATOM 1047 CB SER A 64 7.591 2.125 9.160 1.00 0.63 C ATOM 1048 OG SER A 64 6.247 2.107 9.610 1.00 1.33 O ATOM 0 H SER A 64 5.689 1.011 7.611 1.00 0.49 H new ATOM 0 HA SER A 64 8.514 1.824 7.242 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.239 1.690 9.921 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.916 3.155 9.016 1.00 0.63 H new ATOM 0 HG SER A 64 6.176 2.608 10.450 1.00 1.33 H new ATOM 1054 N GLY A 65 9.228 -0.234 8.936 1.00 0.71 N ATOM 1055 CA GLY A 65 9.719 -1.557 9.273 1.00 0.78 C ATOM 1056 C GLY A 65 10.286 -2.283 8.070 1.00 0.72 C ATOM 1057 O GLY A 65 10.265 -3.512 8.008 1.00 0.90 O ATOM 0 H GLY A 65 9.751 0.537 9.352 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.489 -1.472 10.040 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.907 -2.146 9.701 1.00 0.78 H new ATOM 1061 N LEU A 66 10.793 -1.516 7.111 1.00 0.64 N ATOM 1062 CA LEU A 66 11.367 -2.082 5.896 1.00 0.65 C ATOM 1063 C LEU A 66 12.805 -2.534 6.121 1.00 0.59 C ATOM 1064 O LEU A 66 13.386 -2.305 7.182 1.00 0.65 O ATOM 1065 CB LEU A 66 11.328 -1.054 4.766 1.00 0.74 C ATOM 1066 CG LEU A 66 9.931 -0.710 4.248 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.879 0.739 3.791 1.00 0.89 C ATOM 1068 CD2 LEU A 66 9.537 -1.644 3.116 1.00 1.47 C ATOM 0 H LEU A 66 10.818 -0.497 7.152 1.00 0.64 H new ATOM 0 HA LEU A 66 10.770 -2.952 5.621 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.805 -0.138 5.113 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.925 -1.429 3.934 1.00 0.74 H new ATOM 0 HG LEU A 66 9.217 -0.841 5.061 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.879 0.969 3.425 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.118 1.394 4.629 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.603 0.894 2.991 1.00 0.89 H new ATOM 0 HD21 LEU A 66 8.540 -1.384 2.760 1.00 1.47 H new ATOM 0 HD22 LEU A 66 10.251 -1.546 2.298 1.00 1.47 H new ATOM 0 HD23 LEU A 66 9.537 -2.673 3.476 1.00 1.47 H new ATOM 1080 N THR A 67 13.374 -3.172 5.104 1.00 0.65 N ATOM 1081 CA THR A 67 14.748 -3.655 5.168 1.00 0.69 C ATOM 1082 C THR A 67 15.553 -3.110 3.995 1.00 0.72 C ATOM 1083 O THR A 67 15.476 -3.630 2.881 1.00 1.06 O ATOM 1084 CB THR A 67 14.778 -5.185 5.163 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.986 -5.706 6.217 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.171 -5.756 5.309 1.00 0.99 C ATOM 0 H THR A 67 12.902 -3.367 4.221 1.00 0.65 H new ATOM 0 HA THR A 67 15.196 -3.302 6.097 1.00 0.69 H new ATOM 0 HB THR A 67 14.383 -5.479 4.191 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.017 -6.685 6.196 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.121 -6.845 5.298 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.793 -5.413 4.483 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.604 -5.422 6.252 1.00 0.99 H new ATOM 1094 N GLU A 68 16.318 -2.054 4.250 1.00 0.66 N ATOM 1095 CA GLU A 68 17.134 -1.423 3.216 1.00 0.67 C ATOM 1096 C GLU A 68 17.858 -2.458 2.357 1.00 0.60 C ATOM 1097 O GLU A 68 18.223 -3.534 2.834 1.00 0.69 O ATOM 1098 CB GLU A 68 18.150 -0.470 3.851 1.00 0.76 C ATOM 1099 CG GLU A 68 19.055 0.218 2.842 1.00 0.96 C ATOM 1100 CD GLU A 68 20.329 0.750 3.469 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.499 0.585 4.695 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.155 1.332 2.735 1.00 1.91 O ATOM 0 H GLU A 68 16.391 -1.615 5.168 1.00 0.66 H new ATOM 0 HA GLU A 68 16.464 -0.859 2.567 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.615 0.288 4.423 1.00 0.76 H new ATOM 0 HB3 GLU A 68 18.765 -1.027 4.557 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.311 -0.486 2.050 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.513 1.041 2.375 1.00 0.96 H new ATOM 1109 N ASP A 69 18.062 -2.120 1.085 1.00 0.52 N ATOM 1110 CA ASP A 69 18.742 -3.008 0.144 1.00 0.49 C ATOM 1111 C ASP A 69 17.827 -4.148 -0.293 1.00 0.44 C ATOM 1112 O ASP A 69 18.086 -5.313 0.004 1.00 0.54 O ATOM 1113 CB ASP A 69 20.022 -3.573 0.764 1.00 0.59 C ATOM 1114 CG ASP A 69 20.976 -4.122 -0.279 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.782 -3.825 -1.476 1.00 1.87 O ATOM 1116 OD2 ASP A 69 21.917 -4.848 0.102 1.00 1.66 O ATOM 0 H ASP A 69 17.764 -1.232 0.681 1.00 0.52 H new ATOM 0 HA ASP A 69 19.006 -2.421 -0.736 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.522 -2.790 1.334 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.763 -4.364 1.468 1.00 0.59 H new ATOM 1121 N ALA A 70 16.758 -3.799 -1.002 1.00 0.40 N ATOM 1122 CA ALA A 70 15.796 -4.783 -1.486 1.00 0.40 C ATOM 1123 C ALA A 70 14.570 -4.101 -2.083 1.00 0.35 C ATOM 1124 O ALA A 70 13.949 -3.255 -1.440 1.00 0.36 O ATOM 1125 CB ALA A 70 15.371 -5.710 -0.356 1.00 0.49 C ATOM 0 H ALA A 70 16.535 -2.836 -1.255 1.00 0.40 H new ATOM 0 HA ALA A 70 16.281 -5.369 -2.267 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.653 -6.438 -0.733 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.245 -6.231 0.035 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.910 -5.125 0.440 1.00 0.49 H new ATOM 1131 N ALA A 71 14.218 -4.474 -3.309 1.00 0.33 N ATOM 1132 CA ALA A 71 13.055 -3.895 -3.969 1.00 0.30 C ATOM 1133 C ALA A 71 11.781 -4.329 -3.258 1.00 0.27 C ATOM 1134 O ALA A 71 11.641 -5.493 -2.881 1.00 0.36 O ATOM 1135 CB ALA A 71 13.025 -4.285 -5.437 1.00 0.34 C ATOM 0 H ALA A 71 14.718 -5.170 -3.862 1.00 0.33 H new ATOM 0 HA ALA A 71 13.123 -2.808 -3.915 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.150 -3.843 -5.913 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.927 -3.921 -5.929 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.977 -5.370 -5.524 1.00 0.34 H new ATOM 1141 N TYR A 72 10.863 -3.390 -3.050 1.00 0.24 N ATOM 1142 CA TYR A 72 9.621 -3.697 -2.349 1.00 0.24 C ATOM 1143 C TYR A 72 8.379 -3.146 -3.050 1.00 0.21 C ATOM 1144 O TYR A 72 8.249 -1.937 -3.246 1.00 0.23 O ATOM 1145 CB TYR A 72 9.679 -3.112 -0.946 1.00 0.30 C ATOM 1146 CG TYR A 72 10.442 -3.942 0.051 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.846 -5.019 0.691 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.765 -3.656 0.337 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.552 -5.786 1.598 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.481 -4.416 1.236 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.828 -5.464 1.913 1.00 0.46 C ATOM 1152 OH TYR A 72 12.580 -6.242 2.767 1.00 0.56 O ATOM 0 H TYR A 72 10.954 -2.420 -3.353 1.00 0.24 H new ATOM 0 HA TYR A 72 9.533 -4.783 -2.330 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.134 -2.123 -0.998 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.661 -2.976 -0.581 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.815 -5.261 0.477 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.245 -2.822 -0.153 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.084 -6.645 2.057 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.526 -4.211 1.418 1.00 0.42 H new ATOM 0 HH TYR A 72 13.448 -6.435 2.355 1.00 0.56 H new ATOM 1162 N GLU A 73 7.452 -4.041 -3.391 1.00 0.21 N ATOM 1163 CA GLU A 73 6.200 -3.653 -4.038 1.00 0.21 C ATOM 1164 C GLU A 73 5.072 -3.672 -3.011 1.00 0.23 C ATOM 1165 O GLU A 73 4.940 -4.631 -2.251 1.00 0.32 O ATOM 1166 CB GLU A 73 5.880 -4.600 -5.197 1.00 0.25 C ATOM 1167 CG GLU A 73 6.285 -4.050 -6.554 1.00 0.65 C ATOM 1168 CD GLU A 73 6.400 -5.130 -7.611 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.925 -6.257 -7.361 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.966 -4.848 -8.688 1.00 1.50 O ATOM 0 H GLU A 73 7.546 -5.044 -3.229 1.00 0.21 H new ATOM 0 HA GLU A 73 6.303 -2.645 -4.441 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.389 -5.550 -5.032 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.810 -4.808 -5.202 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.552 -3.310 -6.875 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.241 -3.534 -6.462 1.00 0.65 H new ATOM 1177 N PHE A 74 4.270 -2.612 -2.965 1.00 0.22 N ATOM 1178 CA PHE A 74 3.174 -2.554 -1.975 1.00 0.28 C ATOM 1179 C PHE A 74 1.798 -2.313 -2.596 1.00 0.25 C ATOM 1180 O PHE A 74 1.556 -1.279 -3.211 1.00 0.30 O ATOM 1181 CB PHE A 74 3.435 -1.465 -0.930 1.00 0.39 C ATOM 1182 CG PHE A 74 4.885 -1.185 -0.685 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.627 -1.971 0.186 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.506 -0.128 -1.326 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.961 -1.699 0.407 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.840 0.145 -1.109 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.570 -0.640 -0.242 1.00 0.53 C ATOM 0 H PHE A 74 4.345 -1.799 -3.577 1.00 0.22 H new ATOM 0 HA PHE A 74 3.160 -3.539 -1.508 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.948 -0.544 -1.251 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.970 -1.760 0.010 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.157 -2.800 0.694 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.939 0.491 -2.005 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.531 -2.314 1.088 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.312 0.973 -1.617 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.615 -0.429 -0.070 1.00 0.53 H new ATOM 1197 N ARG A 75 0.891 -3.267 -2.401 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.470 -3.155 -2.920 1.00 0.34 C ATOM 1199 C ARG A 75 -1.399 -2.583 -1.855 1.00 0.31 C ATOM 1200 O ARG A 75 -1.240 -2.869 -0.672 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.960 -4.533 -3.419 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.856 -5.307 -2.454 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.599 -6.806 -2.514 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.414 -7.293 -3.885 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.761 -8.513 -4.302 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.312 -9.386 -3.466 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.555 -8.861 -5.565 1.00 1.87 N ATOM 0 H ARG A 75 1.074 -4.128 -1.886 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.476 -2.468 -3.766 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.503 -4.389 -4.353 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.089 -5.147 -3.648 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -1.687 -4.951 -1.438 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.901 -5.109 -2.692 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -0.712 -7.043 -1.926 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.436 -7.333 -2.055 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.993 -6.659 -4.564 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.475 -9.127 -2.493 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.573 -10.315 -3.797 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -1.133 -8.197 -6.214 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.819 -9.792 -5.887 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.371 -1.781 -2.270 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.305 -1.203 -1.316 1.00 0.39 C ATOM 1223 C VAL A 76 -4.600 -2.005 -1.271 1.00 0.31 C ATOM 1224 O VAL A 76 -5.338 -2.074 -2.253 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.638 0.276 -1.625 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.660 0.813 -0.633 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.386 1.134 -1.588 1.00 0.54 C ATOM 0 H VAL A 76 -2.531 -1.520 -3.243 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.808 -1.241 -0.346 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.060 0.320 -2.629 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -4.881 1.854 -0.867 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.575 0.224 -0.698 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.257 0.746 0.377 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.648 2.169 -1.809 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -1.935 1.077 -0.597 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.675 0.773 -2.332 1.00 0.54 H new ATOM 1237 N ILE A 77 -4.868 -2.602 -0.118 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.072 -3.384 0.076 1.00 0.31 C ATOM 1239 C ILE A 77 -6.991 -2.631 1.038 1.00 0.30 C ATOM 1240 O ILE A 77 -6.578 -1.671 1.680 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.725 -4.816 0.608 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.501 -5.774 -0.566 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -6.794 -5.379 1.542 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.353 -7.224 -0.147 1.00 0.42 C ATOM 0 H ILE A 77 -4.260 -2.556 0.700 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.586 -3.519 -0.875 1.00 0.31 H new ATOM 0 HB ILE A 77 -4.809 -4.722 1.192 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.338 -5.688 -1.259 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.606 -5.468 -1.108 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.497 -6.373 1.878 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -6.905 -4.723 2.405 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.744 -5.444 1.011 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.197 -7.844 -1.030 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.498 -7.324 0.522 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.257 -7.548 0.369 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.229 -3.076 1.133 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.195 -2.456 2.018 1.00 0.30 C ATOM 1258 C ALA A 78 -10.313 -3.437 2.310 1.00 0.34 C ATOM 1259 O ALA A 78 -10.254 -4.594 1.894 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.743 -1.176 1.405 1.00 0.39 C ATOM 0 H ALA A 78 -8.591 -3.870 0.604 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.703 -2.190 2.954 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.466 -0.727 2.086 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.925 -0.477 1.232 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -10.231 -1.406 0.458 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.334 -2.985 3.013 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.452 -3.848 3.332 1.00 0.43 C ATOM 1268 C LYS A 79 -13.737 -3.317 2.698 1.00 0.59 C ATOM 1269 O LYS A 79 -14.198 -3.822 1.676 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.653 -3.952 4.842 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.049 -5.183 5.488 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.824 -5.557 6.742 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.621 -7.013 7.119 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.869 -7.250 8.568 1.00 1.98 N ATOM 0 H LYS A 79 -11.411 -2.033 3.371 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.226 -4.837 2.933 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.224 -3.067 5.312 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.722 -3.938 5.052 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.061 -6.015 4.783 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.005 -4.994 5.740 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.507 -4.920 7.568 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.886 -5.368 6.583 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.291 -7.638 6.529 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.603 -7.314 6.871 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.720 -8.256 8.786 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.212 -6.673 9.132 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.848 -6.987 8.800 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.277 -2.283 3.357 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.507 -1.568 2.991 1.00 0.70 C ATOM 1290 C ASN A 80 -16.467 -1.550 4.171 1.00 0.87 C ATOM 1291 O ASN A 80 -16.602 -2.540 4.891 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.237 -2.163 1.790 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.652 -1.733 0.462 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.346 -1.742 -0.546 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.377 -1.355 0.438 1.00 2.05 N ATOM 0 H ASN A 80 -13.847 -1.904 4.201 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.191 -0.562 2.714 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.207 -3.251 1.857 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.286 -1.870 1.829 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -13.949 -1.060 -0.440 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -13.827 -1.360 1.297 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.127 -0.416 4.353 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.095 -0.216 5.431 1.00 0.82 C ATOM 1304 C ALA A 81 -18.861 -1.492 5.800 1.00 0.88 C ATOM 1305 O ALA A 81 -19.042 -1.790 6.982 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.079 0.866 5.025 1.00 0.83 C ATOM 0 H ALA A 81 -17.008 0.401 3.754 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.532 0.081 6.316 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.803 1.019 5.826 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.541 1.796 4.840 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.601 0.562 4.118 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.321 -2.232 4.793 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.079 -3.456 5.040 1.00 0.90 C ATOM 1314 C ALA A 82 -19.281 -4.711 4.714 1.00 0.88 C ATOM 1315 O ALA A 82 -19.767 -5.605 4.023 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.378 -3.443 4.250 1.00 0.94 C ATOM 0 H ALA A 82 -19.184 -2.008 3.807 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.302 -3.482 6.107 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.931 -4.362 4.445 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.979 -2.586 4.553 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -21.156 -3.372 3.185 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.058 -4.785 5.226 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.224 -5.949 4.986 1.00 0.86 C ATOM 1324 C GLY A 83 -17.261 -6.428 3.546 1.00 0.78 C ATOM 1325 O GLY A 83 -17.292 -7.632 3.288 1.00 0.93 O ATOM 0 H GLY A 83 -17.629 -4.061 5.802 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.195 -5.712 5.256 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.547 -6.759 5.640 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.246 -5.487 2.606 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.265 -5.820 1.179 1.00 0.78 C ATOM 1331 C ALA A 84 -15.843 -6.002 0.632 1.00 0.76 C ATOM 1332 O ALA A 84 -15.608 -5.840 -0.563 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.993 -4.737 0.397 1.00 0.92 C ATOM 0 H ALA A 84 -17.221 -4.487 2.804 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.796 -6.765 1.060 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -18.001 -4.996 -0.662 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -19.018 -4.655 0.758 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.482 -3.784 0.534 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.917 -6.339 1.534 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.506 -6.558 1.240 1.00 0.40 C ATOM 1341 C ILE A 85 -13.012 -5.966 -0.082 1.00 0.38 C ATOM 1342 O ILE A 85 -13.367 -6.422 -1.170 1.00 0.48 O ATOM 1343 CB ILE A 85 -13.144 -8.064 1.325 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.688 -8.246 1.766 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.394 -8.791 0.002 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -11.322 -7.505 3.031 1.00 0.79 C ATOM 0 H ILE A 85 -15.141 -6.470 2.520 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.980 -6.003 2.017 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.799 -8.510 2.073 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -11.496 -9.309 1.913 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -11.033 -7.912 0.961 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -13.127 -9.842 0.108 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.448 -8.710 -0.264 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.786 -8.339 -0.782 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -10.275 -7.689 3.270 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.478 -6.436 2.885 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -11.949 -7.855 3.852 1.00 0.79 H new ATOM 1358 N SER A 86 -12.152 -4.964 0.032 1.00 0.39 N ATOM 1359 CA SER A 86 -11.563 -4.331 -1.140 1.00 0.45 C ATOM 1360 C SER A 86 -10.328 -5.130 -1.559 1.00 0.44 C ATOM 1361 O SER A 86 -9.329 -5.154 -0.838 1.00 0.43 O ATOM 1362 CB SER A 86 -11.195 -2.869 -0.835 1.00 0.54 C ATOM 1363 OG SER A 86 -9.859 -2.567 -1.215 1.00 0.59 O ATOM 0 H SER A 86 -11.847 -4.572 0.923 1.00 0.39 H new ATOM 0 HA SER A 86 -12.284 -4.324 -1.958 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.881 -2.205 -1.361 1.00 0.54 H new ATOM 0 HB3 SER A 86 -11.321 -2.678 0.231 1.00 0.54 H new ATOM 0 HG SER A 86 -9.785 -1.612 -1.420 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.373 -5.807 -2.717 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.245 -6.612 -3.196 1.00 0.61 C ATOM 1371 C PRO A 87 -7.984 -5.777 -3.423 1.00 0.54 C ATOM 1372 O PRO A 87 -8.035 -4.547 -3.427 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.760 -7.219 -4.504 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.886 -6.340 -4.921 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.514 -5.853 -3.647 1.00 0.59 C ATOM 0 HA PRO A 87 -8.942 -7.364 -2.468 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.977 -7.244 -5.262 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.095 -8.246 -4.357 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.529 -5.506 -5.525 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.606 -6.888 -5.528 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -11.974 -4.873 -3.772 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.294 -6.529 -3.297 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.829 -6.442 -3.606 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.542 -5.768 -3.820 1.00 0.56 C ATOM 1385 C PRO A 88 -5.571 -4.766 -4.966 1.00 0.48 C ATOM 1386 O PRO A 88 -6.112 -5.046 -6.037 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.573 -6.911 -4.151 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.431 -8.103 -4.416 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.679 -7.904 -3.608 1.00 0.72 C ATOM 0 HA PRO A 88 -5.260 -5.186 -2.943 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.962 -6.667 -5.020 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.889 -7.097 -3.323 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.663 -8.188 -5.478 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.922 -9.022 -4.127 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.538 -8.399 -4.060 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.576 -8.302 -2.599 1.00 0.72 H new ATOM 1397 N SER A 89 -4.974 -3.599 -4.735 1.00 0.43 N ATOM 1398 CA SER A 89 -4.919 -2.557 -5.749 1.00 0.42 C ATOM 1399 C SER A 89 -3.486 -2.344 -6.230 1.00 0.35 C ATOM 1400 O SER A 89 -2.633 -1.872 -5.474 1.00 0.51 O ATOM 1401 CB SER A 89 -5.485 -1.246 -5.216 1.00 0.56 C ATOM 1402 OG SER A 89 -6.481 -0.731 -6.083 1.00 1.28 O ATOM 0 H SER A 89 -4.523 -3.354 -3.854 1.00 0.43 H new ATOM 0 HA SER A 89 -5.529 -2.883 -6.591 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.909 -1.405 -4.224 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.682 -0.517 -5.106 1.00 0.56 H new ATOM 0 HG SER A 89 -6.566 0.236 -5.946 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.263 -2.701 -7.498 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.964 -2.589 -8.195 1.00 0.37 C ATOM 1410 C GLU A 90 -0.800 -2.148 -7.300 1.00 0.34 C ATOM 1411 O GLU A 90 -0.638 -0.960 -7.019 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.090 -1.613 -9.365 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.596 -2.178 -10.686 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.949 -1.292 -11.864 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.042 -1.475 -12.439 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.132 -0.413 -12.212 1.00 1.77 O ATOM 0 H GLU A 90 -3.997 -3.088 -8.091 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.725 -3.596 -8.538 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.135 -1.321 -9.473 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.528 -0.708 -9.134 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.514 -2.304 -10.642 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.027 -3.168 -10.838 1.00 0.90 H new ATOM 1423 N PRO A 91 0.034 -3.103 -6.851 1.00 0.30 N ATOM 1424 CA PRO A 91 1.190 -2.811 -6.000 1.00 0.29 C ATOM 1425 C PRO A 91 2.022 -1.633 -6.494 1.00 0.31 C ATOM 1426 O PRO A 91 2.168 -1.419 -7.697 1.00 0.55 O ATOM 1427 CB PRO A 91 2.010 -4.096 -6.079 1.00 0.36 C ATOM 1428 CG PRO A 91 1.007 -5.169 -6.307 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.084 -4.547 -7.142 1.00 0.39 C ATOM 0 HA PRO A 91 0.881 -2.529 -4.994 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.736 -4.053 -6.891 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.570 -4.266 -5.159 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.455 -6.019 -6.821 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.611 -5.541 -5.362 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.056 -4.755 -8.203 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.066 -4.932 -6.869 1.00 0.39 H new ATOM 1437 N SER A 92 2.578 -0.883 -5.547 1.00 0.27 N ATOM 1438 CA SER A 92 3.414 0.261 -5.865 1.00 0.31 C ATOM 1439 C SER A 92 4.790 -0.228 -6.267 1.00 0.27 C ATOM 1440 O SER A 92 5.281 -1.214 -5.706 1.00 0.24 O ATOM 1441 CB SER A 92 3.532 1.206 -4.660 1.00 0.39 C ATOM 1442 OG SER A 92 4.805 1.827 -4.607 1.00 1.23 O ATOM 0 H SER A 92 2.461 -1.052 -4.548 1.00 0.27 H new ATOM 0 HA SER A 92 2.958 0.813 -6.687 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.756 1.969 -4.718 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.361 0.647 -3.740 1.00 0.39 H new ATOM 0 HG SER A 92 5.221 1.646 -3.739 1.00 1.23 H new ATOM 1448 N ASP A 93 5.397 0.469 -7.235 1.00 0.33 N ATOM 1449 CA ASP A 93 6.730 0.136 -7.749 1.00 0.36 C ATOM 1450 C ASP A 93 7.613 -0.495 -6.680 1.00 0.32 C ATOM 1451 O ASP A 93 7.477 -0.197 -5.494 1.00 0.56 O ATOM 1452 CB ASP A 93 7.408 1.394 -8.290 1.00 0.45 C ATOM 1453 CG ASP A 93 7.775 1.265 -9.755 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.747 0.542 -10.062 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.092 1.886 -10.596 1.00 1.63 O ATOM 0 H ASP A 93 4.976 1.282 -7.685 1.00 0.33 H new ATOM 0 HA ASP A 93 6.599 -0.593 -8.549 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.743 2.248 -8.158 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.307 1.598 -7.709 1.00 0.45 H new ATOM 1460 N ALA A 94 8.509 -1.370 -7.101 1.00 0.33 N ATOM 1461 CA ALA A 94 9.398 -2.036 -6.168 1.00 0.28 C ATOM 1462 C ALA A 94 10.586 -1.143 -5.820 1.00 0.29 C ATOM 1463 O ALA A 94 11.512 -0.986 -6.615 1.00 0.41 O ATOM 1464 CB ALA A 94 9.870 -3.360 -6.745 1.00 0.34 C ATOM 0 H ALA A 94 8.639 -1.634 -8.077 1.00 0.33 H new ATOM 0 HA ALA A 94 8.847 -2.236 -5.249 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.536 -3.849 -6.035 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.009 -4.001 -6.936 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.403 -3.181 -7.679 1.00 0.34 H new ATOM 1470 N ILE A 95 10.550 -0.556 -4.629 1.00 0.25 N ATOM 1471 CA ILE A 95 11.620 0.326 -4.178 1.00 0.28 C ATOM 1472 C ILE A 95 12.777 -0.462 -3.571 1.00 0.26 C ATOM 1473 O ILE A 95 12.618 -1.121 -2.542 1.00 0.25 O ATOM 1474 CB ILE A 95 11.104 1.343 -3.138 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.002 2.206 -3.747 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.240 2.218 -2.624 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.616 1.635 -3.557 1.00 0.44 C ATOM 0 H ILE A 95 9.791 -0.675 -3.958 1.00 0.25 H new ATOM 0 HA ILE A 95 11.978 0.860 -5.058 1.00 0.28 H new ATOM 0 HB ILE A 95 10.693 0.791 -2.293 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.041 3.200 -3.301 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.194 2.327 -4.813 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.851 2.926 -1.893 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.998 1.591 -2.155 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.685 2.763 -3.457 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.883 2.300 -4.014 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.559 0.653 -4.027 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.405 1.540 -2.492 1.00 0.44 H new ATOM 1489 N THR A 96 13.943 -0.387 -4.209 1.00 0.29 N ATOM 1490 CA THR A 96 15.127 -1.089 -3.723 1.00 0.32 C ATOM 1491 C THR A 96 15.433 -0.684 -2.285 1.00 0.32 C ATOM 1492 O THR A 96 15.966 -1.471 -1.507 1.00 0.38 O ATOM 1493 CB THR A 96 16.332 -0.796 -4.620 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.039 -1.109 -5.970 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.573 -1.572 -4.229 1.00 0.43 C ATOM 0 H THR A 96 14.092 0.152 -5.062 1.00 0.29 H new ATOM 0 HA THR A 96 14.925 -2.160 -3.750 1.00 0.32 H new ATOM 0 HB THR A 96 16.533 0.268 -4.495 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.820 -0.913 -6.528 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.389 -1.318 -4.905 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.855 -1.317 -3.207 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.369 -2.641 -4.293 1.00 0.43 H new ATOM 1503 N CYS A 97 15.086 0.551 -1.938 1.00 0.32 N ATOM 1504 CA CYS A 97 15.318 1.058 -0.590 1.00 0.36 C ATOM 1505 C CYS A 97 16.779 0.889 -0.182 1.00 0.43 C ATOM 1506 O CYS A 97 17.088 0.195 0.785 1.00 0.64 O ATOM 1507 CB CYS A 97 14.408 0.331 0.401 1.00 0.38 C ATOM 1508 SG CYS A 97 12.947 1.278 0.896 1.00 1.10 S ATOM 0 H CYS A 97 14.644 1.218 -2.570 1.00 0.32 H new ATOM 0 HA CYS A 97 15.086 2.123 -0.580 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.084 -0.610 -0.043 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.985 0.082 1.292 1.00 0.38 H new ATOM 0 HG CYS A 97 13.301 2.488 1.212 1.00 1.10 H new ATOM 1514 N ARG A 98 17.674 1.529 -0.924 1.00 0.53 N ATOM 1515 CA ARG A 98 19.105 1.450 -0.636 1.00 0.63 C ATOM 1516 C ARG A 98 19.571 2.712 0.077 1.00 0.80 C ATOM 1517 O ARG A 98 19.770 2.718 1.292 1.00 1.04 O ATOM 1518 CB ARG A 98 19.928 1.236 -1.921 1.00 0.68 C ATOM 1519 CG ARG A 98 19.101 0.953 -3.168 1.00 0.74 C ATOM 1520 CD ARG A 98 18.761 2.230 -3.918 1.00 0.92 C ATOM 1521 NE ARG A 98 18.033 1.952 -5.151 1.00 1.64 N ATOM 1522 CZ ARG A 98 17.258 2.838 -5.769 1.00 2.31 C ATOM 1523 NH1 ARG A 98 17.109 4.059 -5.271 1.00 3.00 N ATOM 1524 NH2 ARG A 98 16.629 2.504 -6.888 1.00 2.68 N ATOM 0 H ARG A 98 17.437 2.108 -1.729 1.00 0.53 H new ATOM 0 HA ARG A 98 19.265 0.590 0.014 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.536 2.123 -2.099 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.615 0.405 -1.762 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.652 0.281 -3.825 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.181 0.440 -2.886 1.00 0.74 H new ATOM 0 HD2 ARG A 98 18.161 2.879 -3.279 1.00 0.92 H new ATOM 0 HD3 ARG A 98 19.678 2.771 -4.151 1.00 0.92 H new ATOM 0 HE ARG A 98 18.124 1.023 -5.563 1.00 1.64 H new ATOM 0 HH11 ARG A 98 17.590 4.321 -4.411 1.00 3.00 H new ATOM 0 HH12 ARG A 98 16.513 4.735 -5.749 1.00 3.00 H new ATOM 0 HH21 ARG A 98 16.740 1.567 -7.275 1.00 2.68 H new ATOM 0 HH22 ARG A 98 16.035 3.184 -7.361 1.00 2.68 H new ATOM 1538 N ASP A 99 19.734 3.775 -0.691 1.00 0.92 N ATOM 1539 CA ASP A 99 20.168 5.061 -0.156 1.00 1.20 C ATOM 1540 C ASP A 99 19.197 6.181 -0.546 1.00 1.03 C ATOM 1541 O ASP A 99 19.402 7.339 -0.182 1.00 1.20 O ATOM 1542 CB ASP A 99 21.574 5.392 -0.658 1.00 1.61 C ATOM 1543 CG ASP A 99 21.559 6.069 -2.014 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.533 5.964 -2.719 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.573 6.704 -2.372 1.00 2.14 O ATOM 0 H ASP A 99 19.571 3.775 -1.698 1.00 0.92 H new ATOM 0 HA ASP A 99 20.181 4.986 0.931 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.071 6.041 0.063 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.160 4.475 -0.719 1.00 1.61 H new ATOM 1550 N ASP A 100 18.143 5.829 -1.289 1.00 0.85 N ATOM 1551 CA ASP A 100 17.137 6.791 -1.735 1.00 0.92 C ATOM 1552 C ASP A 100 17.762 8.045 -2.315 1.00 1.22 C ATOM 1553 O ASP A 100 17.157 9.119 -2.310 1.00 1.38 O ATOM 1554 CB ASP A 100 16.194 7.159 -0.593 1.00 0.87 C ATOM 1555 CG ASP A 100 16.897 7.891 0.535 1.00 1.32 C ATOM 1556 OD1 ASP A 100 17.590 8.892 0.250 1.00 2.06 O ATOM 1557 OD2 ASP A 100 16.752 7.469 1.701 1.00 2.03 O ATOM 0 H ASP A 100 17.966 4.873 -1.596 1.00 0.85 H new ATOM 0 HA ASP A 100 16.567 6.307 -2.528 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.389 7.784 -0.979 1.00 0.87 H new ATOM 0 HB3 ASP A 100 15.734 6.252 -0.201 1.00 0.87 H new