USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 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 Single : A 7 ASN : amide:sc= 0.726 K(o=0.73,f=-0.64) USER MOD Single : A 9 MET CE :methyl 177:sc= 0 (180deg=-0.00646) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0577 K(o=-0.058,f=-4.6!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS :FLIP no HD1:sc= -3.91! C(o=-5.8!,f=-3.9!) USER MOD Single : A 23 HIS : no HD1:sc=-0.00163 X(o=-0.0016,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.5!) USER MOD Single : A 33 ASN : amide:sc= 0.0589 X(o=0.059,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00601) USER MOD Single : A 38 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.39) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 49:sc= 0.109 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.27! C(o=-1.3!,f=-5.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 66 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.7!) USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.578) USER MOD Single : A 76 SER OG : rot -68:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -18.471 -0.320 8.258 1.00 6.51 N ATOM 2 CA ILE A 6 -18.984 -1.656 8.541 1.00 5.95 C ATOM 3 C ILE A 6 -19.840 -2.155 7.383 1.00 5.14 C ATOM 4 O ILE A 6 -21.069 -2.153 7.462 1.00 5.46 O ATOM 5 CB ILE A 6 -19.807 -1.638 9.824 1.00 6.67 C ATOM 6 CG1 ILE A 6 -20.792 -0.471 9.814 1.00 7.44 C ATOM 7 CG2 ILE A 6 -18.902 -1.564 11.048 1.00 6.84 C ATOM 8 CD1 ILE A 6 -21.977 -0.728 10.742 1.00 8.10 C ATOM 0 HA ILE A 6 -18.139 -2.333 8.667 1.00 5.95 H new ATOM 0 HB ILE A 6 -20.374 -2.567 9.876 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -20.280 0.441 10.121 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -21.153 -0.307 8.799 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -19.512 -1.552 11.951 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -18.243 -2.432 11.066 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -18.303 -0.655 11.003 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -22.657 0.124 10.709 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -22.504 -1.626 10.419 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -21.617 -0.866 11.762 1.00 8.10 H new ATOM 20 N ASN A 7 -19.185 -2.581 6.308 1.00 4.48 N ATOM 21 CA ASN A 7 -19.889 -3.083 5.133 1.00 4.06 C ATOM 22 C ASN A 7 -18.898 -3.561 4.078 1.00 3.11 C ATOM 23 O ASN A 7 -18.097 -2.780 3.565 1.00 3.46 O ATOM 24 CB ASN A 7 -20.778 -1.987 4.552 1.00 4.82 C ATOM 25 CG ASN A 7 -22.231 -2.439 4.536 1.00 5.60 C ATOM 26 OD1 ASN A 7 -22.921 -2.314 3.524 1.00 5.87 O ATOM 27 ND2 ASN A 7 -22.700 -2.964 5.662 1.00 6.34 N ATOM 0 H ASN A 7 -18.168 -2.589 6.226 1.00 4.48 H new ATOM 0 HA ASN A 7 -20.509 -3.927 5.434 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -20.680 -1.077 5.144 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -20.454 -1.745 3.540 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -23.668 -3.283 5.712 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -22.093 -3.049 6.477 1.00 6.34 H new ATOM 34 N ARG A 8 -18.958 -4.850 3.760 1.00 2.49 N ATOM 35 CA ARG A 8 -18.066 -5.437 2.766 1.00 2.11 C ATOM 36 C ARG A 8 -16.611 -5.180 3.140 1.00 1.69 C ATOM 37 O ARG A 8 -16.324 -4.566 4.167 1.00 2.38 O ATOM 38 CB ARG A 8 -18.359 -4.850 1.390 1.00 2.95 C ATOM 39 CG ARG A 8 -19.593 -5.490 0.759 1.00 3.61 C ATOM 40 CD ARG A 8 -20.559 -4.438 0.223 1.00 4.57 C ATOM 41 NE ARG A 8 -19.885 -3.576 -0.743 1.00 5.39 N ATOM 42 CZ ARG A 8 -20.565 -2.826 -1.603 1.00 6.19 C ATOM 43 NH1 ARG A 8 -21.463 -1.956 -1.163 1.00 6.68 N ATOM 44 NH2 ARG A 8 -20.347 -2.946 -2.906 1.00 6.74 N ATOM 0 H ARG A 8 -19.616 -5.509 4.177 1.00 2.49 H new ATOM 0 HA ARG A 8 -18.236 -6.513 2.739 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -18.510 -3.774 1.477 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.498 -4.999 0.739 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -19.287 -6.150 -0.052 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -20.101 -6.108 1.499 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -21.413 -4.925 -0.248 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -20.948 -3.839 1.046 1.00 4.57 H new ATOM 0 HE ARG A 8 -18.865 -3.549 -0.758 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -21.633 -1.861 -0.162 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -21.984 -1.381 -1.826 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -19.657 -3.615 -3.248 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -20.870 -2.370 -3.566 1.00 6.74 H new ATOM 58 N MET A 9 -15.695 -5.653 2.301 1.00 1.18 N ATOM 59 CA MET A 9 -14.269 -5.474 2.546 1.00 0.82 C ATOM 60 C MET A 9 -13.452 -6.006 1.376 1.00 0.72 C ATOM 61 O MET A 9 -13.676 -7.122 0.907 1.00 0.97 O ATOM 62 CB MET A 9 -13.867 -6.195 3.829 1.00 1.08 C ATOM 63 CG MET A 9 -12.599 -5.601 4.432 1.00 1.61 C ATOM 64 SD MET A 9 -12.924 -4.111 5.391 1.00 2.27 S ATOM 65 CE MET A 9 -11.293 -3.351 5.401 1.00 2.82 C ATOM 0 H MET A 9 -15.915 -6.163 1.446 1.00 1.18 H new ATOM 0 HA MET A 9 -14.068 -4.408 2.654 1.00 0.82 H new ATOM 0 HB2 MET A 9 -14.679 -6.131 4.553 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.710 -7.253 3.619 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.122 -6.344 5.071 1.00 1.61 H new ATOM 0 HG3 MET A 9 -11.895 -5.369 3.633 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.343 -2.390 5.913 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.591 -4.003 5.921 1.00 2.82 H new ATOM 0 HE3 MET A 9 -10.956 -3.199 4.376 1.00 2.82 H new ATOM 75 N ASP A 10 -12.499 -5.203 0.912 1.00 0.49 N ATOM 76 CA ASP A 10 -11.642 -5.593 -0.202 1.00 0.42 C ATOM 77 C ASP A 10 -10.178 -5.542 0.210 1.00 0.38 C ATOM 78 O ASP A 10 -9.825 -4.912 1.207 1.00 0.54 O ATOM 79 CB ASP A 10 -11.873 -4.665 -1.393 1.00 0.44 C ATOM 80 CG ASP A 10 -12.852 -3.559 -1.021 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.627 -2.885 0.007 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.842 -3.367 -1.757 1.00 1.53 O ATOM 0 H ASP A 10 -12.301 -4.277 1.291 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.893 -6.614 -0.488 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -10.926 -4.229 -1.712 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -12.262 -5.235 -2.237 1.00 0.44 H new ATOM 87 N TYR A 11 -9.328 -6.207 -0.566 1.00 0.40 N ATOM 88 CA TYR A 11 -7.899 -6.236 -0.284 1.00 0.37 C ATOM 89 C TYR A 11 -7.112 -6.588 -1.541 1.00 0.34 C ATOM 90 O TYR A 11 -7.550 -7.406 -2.350 1.00 0.38 O ATOM 91 CB TYR A 11 -7.603 -7.250 0.818 1.00 0.42 C ATOM 92 CG TYR A 11 -7.807 -8.678 0.378 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.882 -9.289 -0.450 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.919 -9.381 0.801 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.071 -10.600 -0.854 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.108 -10.692 0.399 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.180 -11.294 -0.432 1.00 0.67 C ATOM 98 OH TYR A 11 -8.370 -12.599 -0.827 1.00 0.78 O ATOM 0 H TYR A 11 -9.605 -6.733 -1.395 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.593 -5.245 0.051 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.574 -7.123 1.154 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.245 -7.045 1.675 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -6.011 -8.743 -0.782 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.643 -8.906 1.447 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.348 -11.076 -1.500 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.976 -11.242 0.732 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.202 -12.941 -0.438 1.00 0.78 H new ATOM 108 N VAL A 12 -5.952 -5.961 -1.699 1.00 0.34 N ATOM 109 CA VAL A 12 -5.099 -6.198 -2.859 1.00 0.34 C ATOM 110 C VAL A 12 -3.641 -5.926 -2.510 1.00 0.35 C ATOM 111 O VAL A 12 -3.337 -5.023 -1.731 1.00 0.51 O ATOM 112 CB VAL A 12 -5.516 -5.312 -4.042 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.301 -6.125 -5.068 1.00 0.81 C ATOM 114 CG2 VAL A 12 -6.320 -4.088 -3.596 1.00 0.52 C ATOM 0 H VAL A 12 -5.579 -5.282 -1.036 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.214 -7.243 -3.148 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.601 -4.943 -4.506 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.588 -5.481 -5.899 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.680 -6.940 -5.438 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -7.196 -6.535 -4.600 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.591 -3.493 -4.468 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -7.225 -4.414 -3.083 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.717 -3.484 -2.918 1.00 0.52 H new ATOM 124 N GLU A 13 -2.742 -6.711 -3.094 1.00 0.49 N ATOM 125 CA GLU A 13 -1.313 -6.555 -2.849 1.00 0.54 C ATOM 126 C GLU A 13 -0.576 -6.289 -4.156 1.00 0.50 C ATOM 127 O GLU A 13 -0.881 -6.893 -5.184 1.00 0.60 O ATOM 128 CB GLU A 13 -0.755 -7.811 -2.184 1.00 0.67 C ATOM 129 CG GLU A 13 -1.308 -9.079 -2.828 1.00 1.05 C ATOM 130 CD GLU A 13 -0.744 -10.312 -2.135 1.00 1.43 C ATOM 131 OE1 GLU A 13 -1.356 -10.772 -1.147 1.00 1.97 O ATOM 132 OE2 GLU A 13 0.306 -10.818 -2.582 1.00 2.05 O ATOM 0 H GLU A 13 -2.978 -7.463 -3.741 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.166 -5.704 -2.184 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.333 -7.810 -2.257 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -1.004 -7.803 -1.123 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.396 -9.083 -2.764 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.051 -9.099 -3.887 1.00 1.05 H new ATOM 139 N ILE A 14 0.393 -5.379 -4.110 1.00 0.48 N ATOM 140 CA ILE A 14 1.171 -5.031 -5.293 1.00 0.49 C ATOM 141 C ILE A 14 2.626 -5.451 -5.121 1.00 0.48 C ATOM 142 O ILE A 14 3.201 -5.309 -4.042 1.00 0.43 O ATOM 143 CB ILE A 14 1.094 -3.528 -5.542 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.749 -2.758 -4.398 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.354 -3.084 -5.727 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.693 -1.251 -4.632 1.00 0.63 C ATOM 0 H ILE A 14 0.657 -4.870 -3.266 1.00 0.48 H new ATOM 0 HA ILE A 14 0.754 -5.561 -6.149 1.00 0.49 H new ATOM 0 HB ILE A 14 1.639 -3.308 -6.460 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.247 -3.000 -3.461 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.787 -3.073 -4.294 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.385 -2.009 -5.903 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.788 -3.604 -6.581 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.925 -3.321 -4.829 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.169 -0.735 -3.798 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.217 -1.007 -5.556 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.653 -0.933 -4.710 1.00 0.63 H new ATOM 158 N ASN A 15 3.217 -5.967 -6.194 1.00 0.59 N ATOM 159 CA ASN A 15 4.607 -6.408 -6.168 1.00 0.62 C ATOM 160 C ASN A 15 5.543 -5.207 -6.193 1.00 0.60 C ATOM 161 O ASN A 15 5.387 -4.305 -7.015 1.00 0.78 O ATOM 162 CB ASN A 15 4.896 -7.314 -7.361 1.00 0.79 C ATOM 163 CG ASN A 15 3.772 -8.327 -7.543 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.618 -7.958 -7.761 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.110 -9.608 -7.452 1.00 1.54 N ATOM 0 H ASN A 15 2.754 -6.090 -7.094 1.00 0.59 H new ATOM 0 HA ASN A 15 4.775 -6.968 -5.248 1.00 0.62 H new ATOM 0 HB2 ASN A 15 5.003 -6.714 -8.264 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.842 -7.834 -7.210 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.400 -10.332 -7.564 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.079 -9.868 -7.270 1.00 1.54 H new ATOM 172 N ILE A 16 6.514 -5.199 -5.286 1.00 0.49 N ATOM 173 CA ILE A 16 7.473 -4.104 -5.204 1.00 0.49 C ATOM 174 C ILE A 16 8.856 -4.628 -4.840 1.00 0.56 C ATOM 175 O ILE A 16 8.985 -5.593 -4.088 1.00 0.66 O ATOM 176 CB ILE A 16 7.014 -3.090 -4.163 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.600 -2.604 -4.470 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.979 -1.913 -4.093 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.563 -1.744 -5.730 1.00 0.84 C ATOM 0 H ILE A 16 6.657 -5.938 -4.598 1.00 0.49 H new ATOM 0 HA ILE A 16 7.530 -3.620 -6.179 1.00 0.49 H new ATOM 0 HB ILE A 16 7.005 -3.583 -3.191 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.939 -3.462 -4.595 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.221 -2.029 -3.625 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.632 -1.202 -3.344 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.971 -2.272 -3.820 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.025 -1.422 -5.065 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.540 -1.416 -5.917 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.204 -0.873 -5.595 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.918 -2.328 -6.579 1.00 0.84 H new ATOM 191 N ASP A 17 9.888 -3.991 -5.382 1.00 0.63 N ATOM 192 CA ASP A 17 11.260 -4.397 -5.118 1.00 0.75 C ATOM 193 C ASP A 17 12.243 -3.391 -5.699 1.00 1.00 C ATOM 194 O ASP A 17 12.728 -3.558 -6.819 1.00 1.75 O ATOM 195 CB ASP A 17 11.508 -5.765 -5.725 1.00 1.27 C ATOM 196 CG ASP A 17 10.296 -6.221 -6.526 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.411 -5.382 -6.794 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.232 -7.416 -6.882 1.00 2.21 O ATOM 0 H ASP A 17 9.798 -3.190 -6.008 1.00 0.63 H new ATOM 0 HA ASP A 17 11.410 -4.440 -4.039 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.385 -5.729 -6.371 1.00 1.27 H new ATOM 0 HB3 ASP A 17 11.722 -6.486 -4.936 1.00 1.27 H new ATOM 203 N HIS A 18 12.537 -2.349 -4.931 1.00 1.27 N ATOM 204 CA HIS A 18 13.465 -1.313 -5.363 1.00 1.85 C ATOM 205 C HIS A 18 13.601 -0.251 -4.283 1.00 1.32 C ATOM 206 O HIS A 18 13.576 0.946 -4.568 1.00 2.00 O ATOM 207 CB HIS A 18 12.973 -0.674 -6.658 1.00 2.83 C ATOM 208 CG HIS A 18 14.077 -0.054 -7.458 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.076 -0.782 -8.051 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.352 1.238 -7.772 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.913 0.001 -8.689 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.502 1.249 -8.540 1.00 4.84 N ATOM 0 H HIS A 18 12.144 -2.199 -4.002 1.00 1.27 H new ATOM 0 HA HIS A 18 14.440 -1.768 -5.540 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.473 -1.430 -7.263 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.230 0.088 -6.422 1.00 2.83 H new ATOM 0 HD2 HIS A 18 13.776 2.102 -7.475 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.786 -0.318 -9.240 1.00 4.73 H new ATOM 0 HE2 HIS A 18 15.955 2.077 -8.925 1.00 4.84 H new ATOM 220 N LYS A 19 13.739 -0.697 -3.039 1.00 0.82 N ATOM 221 CA LYS A 19 13.867 0.217 -1.913 1.00 0.84 C ATOM 222 C LYS A 19 12.691 1.182 -1.889 1.00 0.77 C ATOM 223 O LYS A 19 12.814 2.315 -1.421 1.00 1.13 O ATOM 224 CB LYS A 19 15.178 0.993 -2.014 1.00 1.47 C ATOM 225 CG LYS A 19 16.348 0.200 -1.438 1.00 1.97 C ATOM 226 CD LYS A 19 17.593 0.322 -2.312 1.00 2.72 C ATOM 227 CE LYS A 19 18.846 0.561 -1.474 1.00 3.37 C ATOM 228 NZ LYS A 19 19.094 2.016 -1.276 1.00 4.03 N ATOM 0 H LYS A 19 13.765 -1.685 -2.786 1.00 0.82 H new ATOM 0 HA LYS A 19 13.869 -0.361 -0.989 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.380 1.233 -3.058 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.083 1.940 -1.482 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.572 0.558 -0.433 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.068 -0.849 -1.347 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.716 -0.587 -2.900 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.464 1.143 -3.017 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.737 0.073 -0.505 1.00 3.37 H new ATOM 0 HE3 LYS A 19 19.707 0.106 -1.965 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.952 2.147 -0.703 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 19.221 2.475 -2.200 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.282 2.443 -0.786 1.00 4.03 H new ATOM 242 N PHE A 20 11.550 0.729 -2.402 1.00 0.63 N ATOM 243 CA PHE A 20 10.348 1.554 -2.444 1.00 0.61 C ATOM 244 C PHE A 20 9.900 1.929 -1.042 1.00 0.62 C ATOM 245 O PHE A 20 9.748 3.108 -0.722 1.00 0.95 O ATOM 246 CB PHE A 20 9.219 0.803 -3.147 1.00 0.62 C ATOM 247 CG PHE A 20 8.906 1.340 -4.521 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.930 1.747 -5.361 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.592 1.427 -4.948 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.639 2.237 -6.623 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.301 1.918 -6.208 1.00 1.17 C ATOM 252 CZ PHE A 20 8.325 2.323 -7.045 1.00 1.19 C ATOM 0 H PHE A 20 11.433 -0.205 -2.794 1.00 0.63 H new ATOM 0 HA PHE A 20 10.584 2.464 -2.996 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.489 -0.250 -3.230 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.321 0.854 -2.532 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.956 1.682 -5.031 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.792 1.111 -4.295 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.438 2.552 -7.278 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.275 1.985 -6.538 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.098 2.707 -8.029 1.00 1.19 H new ATOM 262 N HIS A 21 9.668 0.917 -0.212 1.00 0.53 N ATOM 263 CA HIS A 21 9.209 1.130 1.159 1.00 0.57 C ATOM 264 C HIS A 21 9.959 2.283 1.814 1.00 0.69 C ATOM 265 O HIS A 21 9.350 3.255 2.256 1.00 1.03 O ATOM 266 CB HIS A 21 9.393 -0.139 1.982 1.00 0.54 C ATOM 267 CG HIS A 21 8.667 -1.320 1.410 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.082 -1.526 0.201 1.00 0.48 N flip ATOM 269 CD2 HIS A 21 8.460 -2.485 2.103 1.00 0.44 C flip ATOM 270 CE1 HIS A 21 7.543 -2.798 0.203 1.00 0.45 C flip ATOM 271 NE2 HIS A 21 7.792 -3.352 1.377 1.00 0.42 N flip ATOM 0 H HIS A 21 9.791 -0.063 -0.465 1.00 0.53 H new ATOM 0 HA HIS A 21 8.150 1.383 1.122 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.456 -0.371 2.049 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.041 0.039 2.998 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.801 -2.666 3.112 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.010 -3.260 -0.614 1.00 0.45 H new ATOM 0 HE2 HIS A 21 7.514 -4.289 1.668 1.00 0.42 H new ATOM 279 N ARG A 22 11.286 2.175 1.863 1.00 0.68 N ATOM 280 CA ARG A 22 12.120 3.218 2.458 1.00 0.80 C ATOM 281 C ARG A 22 11.688 4.594 1.962 1.00 0.81 C ATOM 282 O ARG A 22 11.775 5.585 2.687 1.00 0.92 O ATOM 283 CB ARG A 22 13.585 2.977 2.111 1.00 0.93 C ATOM 284 CG ARG A 22 14.361 2.420 3.302 1.00 1.64 C ATOM 285 CD ARG A 22 14.763 3.526 4.275 1.00 2.14 C ATOM 286 NE ARG A 22 14.967 2.978 5.611 1.00 2.73 N ATOM 287 CZ ARG A 22 16.047 2.265 5.917 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.188 2.877 6.206 1.00 3.95 N ATOM 289 NH2 ARG A 22 15.988 0.941 5.931 1.00 3.72 N ATOM 0 H ARG A 22 11.806 1.377 1.498 1.00 0.68 H new ATOM 0 HA ARG A 22 11.999 3.183 3.541 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.652 2.281 1.275 1.00 0.93 H new ATOM 0 HB3 ARG A 22 14.041 3.912 1.784 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.751 1.681 3.822 1.00 1.64 H new ATOM 0 HG3 ARG A 22 15.253 1.904 2.947 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.677 4.009 3.929 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.989 4.293 4.304 1.00 2.14 H new ATOM 0 HE ARG A 22 14.263 3.146 6.330 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.238 3.896 6.194 1.00 3.95 H new ATOM 0 HH12 ARG A 22 18.016 2.329 6.441 1.00 3.95 H new ATOM 0 HH21 ARG A 22 15.113 0.467 5.707 1.00 3.72 H new ATOM 0 HH22 ARG A 22 16.818 0.396 6.166 1.00 3.72 H new ATOM 303 N HIS A 23 11.211 4.640 0.722 1.00 0.90 N ATOM 304 CA HIS A 23 10.747 5.883 0.118 1.00 0.98 C ATOM 305 C HIS A 23 9.278 6.100 0.452 1.00 0.96 C ATOM 306 O HIS A 23 8.913 7.082 1.100 1.00 1.12 O ATOM 307 CB HIS A 23 10.932 5.827 -1.396 1.00 1.02 C ATOM 308 CG HIS A 23 10.996 7.180 -2.033 1.00 1.30 C ATOM 309 ND1 HIS A 23 11.935 8.123 -1.709 1.00 1.83 N ATOM 310 CD2 HIS A 23 10.233 7.763 -2.995 1.00 1.56 C ATOM 311 CE1 HIS A 23 11.771 9.216 -2.418 1.00 2.07 C ATOM 312 NE2 HIS A 23 10.734 9.032 -3.219 1.00 1.86 N ATOM 0 H HIS A 23 11.136 3.825 0.113 1.00 0.90 H new ATOM 0 HA HIS A 23 11.331 6.713 0.516 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.848 5.282 -1.624 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.108 5.264 -1.836 1.00 1.02 H new ATOM 0 HD2 HIS A 23 9.387 7.315 -3.495 1.00 1.56 H new ATOM 0 HE1 HIS A 23 12.376 10.108 -2.358 1.00 2.07 H new ATOM 0 HE2 HIS A 23 10.367 9.710 -3.887 1.00 1.86 H new ATOM 320 N LEU A 24 8.439 5.168 0.008 1.00 0.86 N ATOM 321 CA LEU A 24 7.008 5.215 0.242 1.00 0.87 C ATOM 322 C LEU A 24 6.686 5.659 1.666 1.00 0.97 C ATOM 323 O LEU A 24 5.833 6.521 1.873 1.00 1.16 O ATOM 324 CB LEU A 24 6.435 3.830 -0.010 1.00 0.73 C ATOM 325 CG LEU A 24 6.146 3.603 -1.489 1.00 0.76 C ATOM 326 CD1 LEU A 24 7.380 3.828 -2.359 1.00 1.25 C ATOM 327 CD2 LEU A 24 5.587 2.202 -1.714 1.00 0.72 C ATOM 0 H LEU A 24 8.741 4.354 -0.528 1.00 0.86 H new ATOM 0 HA LEU A 24 6.563 5.944 -0.435 1.00 0.87 H new ATOM 0 HB2 LEU A 24 7.137 3.075 0.344 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.517 3.706 0.564 1.00 0.73 H new ATOM 0 HG LEU A 24 5.399 4.339 -1.788 1.00 0.76 H new ATOM 0 HD11 LEU A 24 7.125 3.654 -3.404 1.00 1.25 H new ATOM 0 HD12 LEU A 24 7.730 4.853 -2.236 1.00 1.25 H new ATOM 0 HD13 LEU A 24 8.168 3.137 -2.058 1.00 1.25 H new ATOM 0 HD21 LEU A 24 5.386 2.057 -2.775 1.00 0.72 H new ATOM 0 HD22 LEU A 24 6.313 1.462 -1.377 1.00 0.72 H new ATOM 0 HD23 LEU A 24 4.662 2.085 -1.150 1.00 0.72 H new ATOM 339 N ILE A 25 7.365 5.067 2.644 1.00 0.92 N ATOM 340 CA ILE A 25 7.134 5.410 4.045 1.00 1.10 C ATOM 341 C ILE A 25 8.029 6.571 4.472 1.00 1.41 C ATOM 342 O ILE A 25 7.624 7.423 5.263 1.00 1.91 O ATOM 343 CB ILE A 25 7.357 4.180 4.942 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.839 3.959 5.258 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.768 2.928 4.299 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.043 2.728 6.133 1.00 0.91 C ATOM 0 H ILE A 25 8.076 4.351 2.495 1.00 0.92 H new ATOM 0 HA ILE A 25 6.098 5.729 4.157 1.00 1.10 H new ATOM 0 HB ILE A 25 6.842 4.375 5.883 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.397 3.844 4.329 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.240 4.837 5.764 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.937 2.071 4.950 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.697 3.065 4.150 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.249 2.753 3.336 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.106 2.600 6.339 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.505 2.856 7.072 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.665 1.847 5.615 1.00 0.91 H new ATOM 358 N GLY A 26 9.251 6.593 3.948 1.00 1.49 N ATOM 359 CA GLY A 26 10.208 7.643 4.275 1.00 1.87 C ATOM 360 C GLY A 26 10.911 7.339 5.591 1.00 1.82 C ATOM 361 O GLY A 26 11.758 6.448 5.663 1.00 2.29 O ATOM 0 H GLY A 26 9.602 5.893 3.294 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.944 7.733 3.476 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.694 8.602 4.344 1.00 1.87 H new ATOM 365 N LYS A 27 10.552 8.080 6.634 1.00 1.86 N ATOM 366 CA LYS A 27 11.145 7.886 7.950 1.00 1.91 C ATOM 367 C LYS A 27 10.099 7.373 8.932 1.00 1.62 C ATOM 368 O LYS A 27 9.109 8.049 9.208 1.00 2.38 O ATOM 369 CB LYS A 27 11.738 9.198 8.458 1.00 2.21 C ATOM 370 CG LYS A 27 10.806 10.377 8.198 1.00 2.65 C ATOM 371 CD LYS A 27 11.072 11.526 9.167 1.00 3.30 C ATOM 372 CE LYS A 27 12.385 12.236 8.848 1.00 3.80 C ATOM 373 NZ LYS A 27 12.275 13.703 9.076 1.00 4.51 N ATOM 0 H LYS A 27 9.852 8.821 6.592 1.00 1.86 H new ATOM 0 HA LYS A 27 11.941 7.146 7.867 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.935 9.119 9.527 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.696 9.377 7.970 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.937 10.726 7.174 1.00 2.65 H new ATOM 0 HG3 LYS A 27 9.770 10.051 8.294 1.00 2.65 H new ATOM 0 HD2 LYS A 27 10.250 12.241 9.120 1.00 3.30 H new ATOM 0 HD3 LYS A 27 11.103 11.143 10.187 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.182 11.828 9.469 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.661 12.047 7.811 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 13.183 14.158 8.851 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 11.530 14.094 8.465 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 12.035 13.883 10.072 1.00 4.51 H new ATOM 387 N SER A 28 10.324 6.169 9.455 1.00 1.28 N ATOM 388 CA SER A 28 9.402 5.553 10.407 1.00 1.60 C ATOM 389 C SER A 28 8.138 5.077 9.700 1.00 1.60 C ATOM 390 O SER A 28 7.856 3.879 9.653 1.00 2.28 O ATOM 391 CB SER A 28 9.036 6.545 11.507 1.00 1.99 C ATOM 392 OG SER A 28 8.824 5.864 12.736 1.00 2.57 O ATOM 0 H SER A 28 11.140 5.599 9.234 1.00 1.28 H new ATOM 0 HA SER A 28 9.899 4.692 10.854 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.833 7.279 11.623 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.136 7.093 11.227 1.00 1.99 H new ATOM 0 HG SER A 28 8.592 6.512 13.433 1.00 2.57 H new ATOM 398 N GLY A 29 7.380 6.019 9.150 1.00 1.21 N ATOM 399 CA GLY A 29 6.145 5.696 8.446 1.00 1.23 C ATOM 400 C GLY A 29 5.100 6.784 8.648 1.00 1.36 C ATOM 401 O GLY A 29 4.543 6.928 9.736 1.00 2.05 O ATOM 0 H GLY A 29 7.600 7.015 9.178 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.350 5.577 7.382 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.757 4.743 8.805 1.00 1.23 H new ATOM 405 N ALA A 30 4.841 7.552 7.595 1.00 1.00 N ATOM 406 CA ALA A 30 3.864 8.634 7.656 1.00 1.10 C ATOM 407 C ALA A 30 2.923 8.582 6.457 1.00 1.06 C ATOM 408 O ALA A 30 1.715 8.775 6.597 1.00 1.43 O ATOM 409 CB ALA A 30 4.581 9.980 7.692 1.00 1.27 C ATOM 0 H ALA A 30 5.295 7.445 6.688 1.00 1.00 H new ATOM 0 HA ALA A 30 3.274 8.514 8.564 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.845 10.783 7.737 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.224 10.026 8.571 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.187 10.094 6.793 1.00 1.27 H new ATOM 415 N ASN A 31 3.482 8.325 5.281 1.00 0.73 N ATOM 416 CA ASN A 31 2.697 8.249 4.055 1.00 0.69 C ATOM 417 C ASN A 31 1.515 7.301 4.222 1.00 0.60 C ATOM 418 O ASN A 31 0.385 7.641 3.871 1.00 0.58 O ATOM 419 CB ASN A 31 3.581 7.780 2.906 1.00 0.71 C ATOM 420 CG ASN A 31 3.647 8.845 1.819 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.760 9.691 1.709 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.701 8.803 1.013 1.00 1.42 N ATOM 0 H ASN A 31 4.481 8.165 5.150 1.00 0.73 H new ATOM 0 HA ASN A 31 2.308 9.243 3.833 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.584 7.565 3.275 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.188 6.852 2.491 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.799 9.490 0.266 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.413 8.083 1.141 1.00 1.42 H new ATOM 429 N ILE A 32 1.776 6.109 4.757 1.00 0.58 N ATOM 430 CA ILE A 32 0.723 5.116 4.964 1.00 0.56 C ATOM 431 C ILE A 32 -0.483 5.748 5.652 1.00 0.52 C ATOM 432 O ILE A 32 -1.611 5.290 5.488 1.00 0.51 O ATOM 433 CB ILE A 32 1.253 3.938 5.787 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.495 4.342 7.243 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.531 3.373 5.167 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.657 5.322 7.378 1.00 1.07 C ATOM 0 H ILE A 32 2.704 5.808 5.054 1.00 0.58 H new ATOM 0 HA ILE A 32 0.406 4.743 3.990 1.00 0.56 H new ATOM 0 HB ILE A 32 0.491 3.158 5.777 1.00 0.63 H new ATOM 0 HG12 ILE A 32 0.590 4.794 7.649 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.701 3.452 7.837 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.889 2.538 5.769 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.322 3.028 4.154 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.294 4.150 5.135 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.794 5.582 8.428 1.00 1.07 H new ATOM 0 HD12 ILE A 32 3.568 4.861 6.997 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.440 6.224 6.806 1.00 1.07 H new ATOM 448 N ASN A 33 -0.236 6.810 6.412 1.00 0.56 N ATOM 449 CA ASN A 33 -1.304 7.511 7.111 1.00 0.59 C ATOM 450 C ASN A 33 -1.998 8.479 6.163 1.00 0.54 C ATOM 451 O ASN A 33 -3.203 8.711 6.267 1.00 0.55 O ATOM 452 CB ASN A 33 -0.738 8.271 8.307 1.00 0.71 C ATOM 453 CG ASN A 33 -1.676 8.150 9.500 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.238 7.902 10.623 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.970 8.325 9.257 1.00 1.62 N ATOM 0 H ASN A 33 0.694 7.203 6.559 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.030 6.780 7.468 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.244 7.876 8.566 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.601 9.321 8.048 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.646 8.255 10.018 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.288 8.529 8.310 1.00 1.62 H new ATOM 462 N ARG A 34 -1.230 9.035 5.230 1.00 0.55 N ATOM 463 CA ARG A 34 -1.768 9.973 4.252 1.00 0.56 C ATOM 464 C ARG A 34 -2.800 9.280 3.372 1.00 0.48 C ATOM 465 O ARG A 34 -3.949 9.713 3.292 1.00 0.48 O ATOM 466 CB ARG A 34 -0.639 10.536 3.393 1.00 0.65 C ATOM 467 CG ARG A 34 -0.496 12.043 3.573 1.00 0.89 C ATOM 468 CD ARG A 34 -1.826 12.762 3.363 1.00 1.22 C ATOM 469 NE ARG A 34 -1.606 14.069 2.756 1.00 1.69 N ATOM 470 CZ ARG A 34 -1.644 14.244 1.440 1.00 2.27 C ATOM 471 NH1 ARG A 34 -0.542 14.095 0.717 1.00 2.90 N ATOM 472 NH2 ARG A 34 -2.785 14.566 0.845 1.00 2.78 N ATOM 0 H ARG A 34 -0.232 8.851 5.131 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.253 10.794 4.781 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.299 10.047 3.657 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.832 10.311 2.344 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.120 12.257 4.574 1.00 0.89 H new ATOM 0 HG3 ARG A 34 0.241 12.426 2.867 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -2.474 12.162 2.725 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -2.338 12.879 4.318 1.00 1.22 H new ATOM 0 HE ARG A 34 -1.418 14.871 3.358 1.00 1.69 H new ATOM 0 HH11 ARG A 34 0.336 13.846 1.172 1.00 2.90 H new ATOM 0 HH12 ARG A 34 -0.573 14.230 -0.294 1.00 2.90 H new ATOM 0 HH21 ARG A 34 -3.634 14.679 1.398 1.00 2.78 H new ATOM 0 HH22 ARG A 34 -2.813 14.700 -0.166 1.00 2.78 H new ATOM 486 N ILE A 35 -2.387 8.196 2.722 1.00 0.45 N ATOM 487 CA ILE A 35 -3.281 7.436 1.857 1.00 0.40 C ATOM 488 C ILE A 35 -4.392 6.810 2.691 1.00 0.34 C ATOM 489 O ILE A 35 -5.575 7.033 2.437 1.00 0.34 O ATOM 490 CB ILE A 35 -2.501 6.351 1.115 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.437 6.977 0.216 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.437 5.467 0.293 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.115 7.157 0.954 1.00 1.29 C ATOM 0 H ILE A 35 -1.439 7.825 2.778 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.723 8.108 1.122 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.007 5.724 1.858 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.283 6.347 -0.660 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.788 7.944 -0.145 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.856 4.704 -0.224 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.159 4.987 0.954 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.966 6.078 -0.438 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.618 7.605 0.283 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.265 7.808 1.815 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.248 6.186 1.292 1.00 1.29 H new ATOM 505 N LYS A 36 -3.999 6.029 3.697 1.00 0.35 N ATOM 506 CA LYS A 36 -4.952 5.368 4.590 1.00 0.36 C ATOM 507 C LYS A 36 -6.083 6.319 4.975 1.00 0.39 C ATOM 508 O LYS A 36 -7.218 5.894 5.191 1.00 0.51 O ATOM 509 CB LYS A 36 -4.223 4.890 5.847 1.00 0.44 C ATOM 510 CG LYS A 36 -5.177 4.299 6.884 1.00 1.09 C ATOM 511 CD LYS A 36 -4.871 4.814 8.287 1.00 1.41 C ATOM 512 CE LYS A 36 -5.423 3.881 9.359 1.00 2.17 C ATOM 513 NZ LYS A 36 -6.911 3.820 9.308 1.00 2.76 N ATOM 0 H LYS A 36 -3.021 5.838 3.915 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.386 4.514 4.070 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.481 4.141 5.571 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.682 5.726 6.290 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.204 4.551 6.619 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.102 3.212 6.871 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -3.793 4.915 8.411 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.301 5.808 8.412 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -5.011 2.881 9.222 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.104 4.225 10.343 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -7.260 3.218 10.081 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -7.301 4.778 9.412 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.211 3.421 8.396 1.00 2.76 H new ATOM 527 N ASP A 37 -5.765 7.607 5.052 1.00 0.40 N ATOM 528 CA ASP A 37 -6.753 8.620 5.403 1.00 0.45 C ATOM 529 C ASP A 37 -7.395 9.193 4.146 1.00 0.44 C ATOM 530 O ASP A 37 -8.576 9.539 4.143 1.00 0.60 O ATOM 531 CB ASP A 37 -6.093 9.739 6.203 1.00 0.51 C ATOM 532 CG ASP A 37 -7.139 10.746 6.666 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.346 10.464 6.510 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.750 11.813 7.183 1.00 1.56 O ATOM 0 H ASP A 37 -4.830 7.974 4.876 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.527 8.154 6.012 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.574 9.321 7.066 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.343 10.239 5.591 1.00 0.51 H new ATOM 539 N GLN A 38 -6.609 9.290 3.078 1.00 0.41 N ATOM 540 CA GLN A 38 -7.096 9.820 1.812 1.00 0.46 C ATOM 541 C GLN A 38 -8.117 8.877 1.188 1.00 0.42 C ATOM 542 O GLN A 38 -9.279 9.239 1.005 1.00 0.68 O ATOM 543 CB GLN A 38 -5.934 10.031 0.857 1.00 0.54 C ATOM 544 CG GLN A 38 -6.236 11.140 -0.145 1.00 0.65 C ATOM 545 CD GLN A 38 -6.549 12.446 0.576 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.621 13.023 0.397 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.612 12.912 1.393 1.00 1.66 N ATOM 0 H GLN A 38 -5.629 9.007 3.066 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.583 10.776 2.004 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.037 10.283 1.422 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.725 9.103 0.324 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.382 11.280 -0.808 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.081 10.852 -0.770 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -4.738 12.400 1.511 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -5.766 13.782 1.903 1.00 1.66 H new ATOM 556 N TYR A 39 -7.677 7.667 0.861 1.00 0.34 N ATOM 557 CA TYR A 39 -8.555 6.671 0.257 1.00 0.34 C ATOM 558 C TYR A 39 -9.261 5.836 1.323 1.00 0.30 C ATOM 559 O TYR A 39 -9.863 4.809 1.011 1.00 0.32 O ATOM 560 CB TYR A 39 -7.748 5.753 -0.660 1.00 0.39 C ATOM 561 CG TYR A 39 -7.142 6.469 -1.841 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.999 7.233 -1.680 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.730 6.372 -3.090 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.446 7.895 -2.763 1.00 0.62 C ATOM 565 CE2 TYR A 39 -7.177 7.034 -4.173 1.00 0.73 C ATOM 566 CZ TYR A 39 -6.022 7.772 -4.008 1.00 0.66 C ATOM 567 OH TYR A 39 -5.488 8.450 -5.080 1.00 0.77 O ATOM 0 H TYR A 39 -6.717 7.352 1.004 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.312 7.198 -0.324 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.952 5.283 -0.082 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.394 4.953 -1.022 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.537 7.313 -0.707 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.623 5.778 -3.220 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.565 8.506 -2.632 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.647 6.973 -5.143 1.00 0.73 H new ATOM 0 HH TYR A 39 -6.012 8.254 -5.885 1.00 0.77 H new ATOM 577 N LYS A 40 -9.185 6.269 2.584 1.00 0.28 N ATOM 578 CA LYS A 40 -9.820 5.542 3.684 1.00 0.31 C ATOM 579 C LYS A 40 -9.483 4.058 3.597 1.00 0.29 C ATOM 580 O LYS A 40 -10.339 3.199 3.810 1.00 0.39 O ATOM 581 CB LYS A 40 -11.332 5.735 3.638 1.00 0.38 C ATOM 582 CG LYS A 40 -11.984 5.379 4.971 1.00 0.86 C ATOM 583 CD LYS A 40 -13.121 6.336 5.315 1.00 1.29 C ATOM 584 CE LYS A 40 -12.598 7.720 5.691 1.00 1.88 C ATOM 585 NZ LYS A 40 -12.066 7.740 7.082 1.00 2.56 N ATOM 0 H LYS A 40 -8.692 7.116 2.867 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.442 5.936 4.627 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.560 6.771 3.386 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.755 5.114 2.848 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.367 4.359 4.928 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.234 5.405 5.762 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.796 6.421 4.463 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.702 5.929 6.143 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -11.813 8.015 4.995 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.400 8.452 5.596 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -11.718 8.694 7.307 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -12.823 7.481 7.747 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -11.285 7.058 7.165 1.00 2.56 H new ATOM 599 N VAL A 41 -8.229 3.773 3.270 1.00 0.23 N ATOM 600 CA VAL A 41 -7.758 2.401 3.131 1.00 0.23 C ATOM 601 C VAL A 41 -6.797 2.045 4.257 1.00 0.27 C ATOM 602 O VAL A 41 -6.602 2.825 5.187 1.00 0.33 O ATOM 603 CB VAL A 41 -7.063 2.238 1.783 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.084 2.221 0.654 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.040 3.350 1.565 1.00 0.23 C ATOM 0 H VAL A 41 -7.515 4.480 3.095 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.614 1.728 3.186 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.535 1.284 1.784 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.570 2.104 -0.300 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.773 1.389 0.799 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.641 3.158 0.653 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.556 3.215 0.598 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.543 4.317 1.587 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.289 3.314 2.355 1.00 0.23 H new ATOM 615 N SER A 42 -6.201 0.861 4.167 1.00 0.29 N ATOM 616 CA SER A 42 -5.258 0.395 5.174 1.00 0.34 C ATOM 617 C SER A 42 -4.010 -0.170 4.510 1.00 0.30 C ATOM 618 O SER A 42 -3.877 -1.384 4.348 1.00 0.36 O ATOM 619 CB SER A 42 -5.914 -0.673 6.043 1.00 0.43 C ATOM 620 OG SER A 42 -6.054 -0.206 7.378 1.00 0.93 O ATOM 0 H SER A 42 -6.356 0.204 3.402 1.00 0.29 H new ATOM 0 HA SER A 42 -4.968 1.239 5.800 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.892 -0.932 5.637 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.313 -1.582 6.030 1.00 0.43 H new ATOM 0 HG SER A 42 -6.478 -0.900 7.925 1.00 0.93 H new ATOM 626 N VAL A 43 -3.092 0.714 4.128 1.00 0.33 N ATOM 627 CA VAL A 43 -1.852 0.297 3.485 1.00 0.34 C ATOM 628 C VAL A 43 -0.925 -0.338 4.510 1.00 0.35 C ATOM 629 O VAL A 43 -0.768 0.173 5.619 1.00 0.55 O ATOM 630 CB VAL A 43 -1.165 1.494 2.832 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.921 2.601 3.853 1.00 1.25 C ATOM 632 CG2 VAL A 43 0.145 1.070 2.175 1.00 0.54 C ATOM 0 H VAL A 43 -3.184 1.722 4.253 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.087 -0.436 2.713 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.826 1.885 2.058 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.431 3.444 3.366 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.874 2.927 4.271 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.284 2.224 4.653 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.619 1.937 1.715 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.811 0.650 2.929 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.057 0.320 1.411 1.00 0.54 H new ATOM 642 N ARG A 44 -0.323 -1.466 4.143 1.00 0.31 N ATOM 643 CA ARG A 44 0.574 -2.175 5.048 1.00 0.42 C ATOM 644 C ARG A 44 1.904 -2.487 4.372 1.00 0.40 C ATOM 645 O ARG A 44 2.068 -3.547 3.768 1.00 0.41 O ATOM 646 CB ARG A 44 -0.077 -3.477 5.520 1.00 0.52 C ATOM 647 CG ARG A 44 -1.580 -3.316 5.746 1.00 0.78 C ATOM 648 CD ARG A 44 -1.999 -3.818 7.123 1.00 1.05 C ATOM 649 NE ARG A 44 -2.220 -5.259 7.091 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.798 -5.900 8.102 1.00 1.74 C ATOM 651 NH1 ARG A 44 -4.007 -5.545 8.511 1.00 2.28 N ATOM 652 NH2 ARG A 44 -2.165 -6.897 8.705 1.00 2.27 N ATOM 0 H ARG A 44 -0.440 -1.906 3.230 1.00 0.31 H new ATOM 0 HA ARG A 44 0.765 -1.529 5.905 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.097 -4.258 4.780 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.396 -3.804 6.446 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.853 -2.266 5.643 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -2.125 -3.864 4.977 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -1.228 -3.578 7.855 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.910 -3.311 7.441 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.923 -5.789 6.272 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -4.497 -4.778 8.050 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -4.448 -6.039 9.287 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -1.234 -7.173 8.393 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -2.609 -7.388 9.481 1.00 2.27 H new ATOM 666 N ILE A 45 2.857 -1.568 4.489 1.00 0.46 N ATOM 667 CA ILE A 45 4.177 -1.761 3.902 1.00 0.47 C ATOM 668 C ILE A 45 4.936 -2.825 4.704 1.00 0.53 C ATOM 669 O ILE A 45 5.261 -2.612 5.872 1.00 0.64 O ATOM 670 CB ILE A 45 4.942 -0.430 3.892 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.340 0.522 2.859 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.432 -0.638 3.615 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.631 0.064 1.429 1.00 0.56 C ATOM 0 H ILE A 45 2.740 -0.684 4.984 1.00 0.46 H new ATOM 0 HA ILE A 45 4.079 -2.103 2.872 1.00 0.47 H new ATOM 0 HB ILE A 45 4.847 0.013 4.883 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.262 0.586 3.008 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.743 1.524 3.009 1.00 0.59 H new ATOM 0 HG21 ILE A 45 6.940 0.326 3.616 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.861 -1.275 4.389 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.558 -1.114 2.643 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.187 0.767 0.724 1.00 0.56 H new ATOM 0 HD12 ILE A 45 5.709 0.025 1.272 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.205 -0.927 1.271 1.00 0.56 H new ATOM 685 N PRO A 46 5.212 -3.993 4.095 1.00 0.48 N ATOM 686 CA PRO A 46 5.916 -5.087 4.769 1.00 0.58 C ATOM 687 C PRO A 46 7.434 -4.923 4.723 1.00 0.61 C ATOM 688 O PRO A 46 8.049 -5.069 3.667 1.00 0.56 O ATOM 689 CB PRO A 46 5.472 -6.321 3.988 1.00 0.57 C ATOM 690 CG PRO A 46 5.097 -5.829 2.626 1.00 0.47 C ATOM 691 CD PRO A 46 4.847 -4.344 2.716 1.00 0.41 C ATOM 0 HA PRO A 46 5.680 -5.135 5.832 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.274 -7.057 3.931 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.627 -6.808 4.474 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.894 -6.038 1.913 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.206 -6.344 2.267 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.451 -3.795 1.994 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.804 -4.104 2.508 1.00 0.41 H new ATOM 699 N PRO A 47 8.063 -4.624 5.873 1.00 0.74 N ATOM 700 CA PRO A 47 9.517 -4.449 5.948 1.00 0.81 C ATOM 701 C PRO A 47 10.255 -5.785 5.900 1.00 0.87 C ATOM 702 O PRO A 47 11.240 -5.935 5.179 1.00 1.53 O ATOM 703 CB PRO A 47 9.727 -3.752 7.289 1.00 0.98 C ATOM 704 CG PRO A 47 8.548 -4.129 8.123 1.00 1.03 C ATOM 705 CD PRO A 47 7.412 -4.438 7.181 1.00 0.85 C ATOM 0 HA PRO A 47 9.909 -3.880 5.105 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.658 -4.073 7.757 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.790 -2.671 7.164 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.778 -4.994 8.744 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.278 -3.316 8.797 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.873 -5.334 7.488 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.687 -3.625 7.152 1.00 0.85 H new ATOM 713 N ASP A 48 9.769 -6.750 6.677 1.00 1.32 N ATOM 714 CA ASP A 48 10.380 -8.074 6.729 1.00 1.46 C ATOM 715 C ASP A 48 10.071 -8.860 5.461 1.00 1.48 C ATOM 716 O ASP A 48 8.975 -9.399 5.305 1.00 2.18 O ATOM 717 CB ASP A 48 9.865 -8.836 7.947 1.00 2.16 C ATOM 718 CG ASP A 48 9.114 -10.087 7.510 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.507 -10.065 6.419 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.132 -11.085 8.260 1.00 3.03 O ATOM 0 H ASP A 48 8.953 -6.639 7.279 1.00 1.32 H new ATOM 0 HA ASP A 48 11.460 -7.953 6.808 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.700 -9.111 8.592 1.00 2.16 H new ATOM 0 HB3 ASP A 48 9.207 -8.195 8.534 1.00 2.16 H new ATOM 725 N SER A 49 11.044 -8.926 4.558 1.00 1.59 N ATOM 726 CA SER A 49 10.876 -9.651 3.302 1.00 2.11 C ATOM 727 C SER A 49 12.225 -9.888 2.636 1.00 1.90 C ATOM 728 O SER A 49 12.611 -11.029 2.382 1.00 2.33 O ATOM 729 CB SER A 49 9.966 -8.866 2.362 1.00 3.03 C ATOM 730 OG SER A 49 8.685 -9.472 2.286 1.00 3.81 O ATOM 0 H SER A 49 11.957 -8.486 4.672 1.00 1.59 H new ATOM 0 HA SER A 49 10.420 -10.617 3.520 1.00 2.11 H new ATOM 0 HB2 SER A 49 9.868 -7.839 2.715 1.00 3.03 H new ATOM 0 HB3 SER A 49 10.412 -8.821 1.369 1.00 3.03 H new ATOM 0 HG SER A 49 8.353 -9.651 3.191 1.00 3.81 H new ATOM 736 N GLU A 50 12.939 -8.802 2.353 1.00 1.92 N ATOM 737 CA GLU A 50 14.247 -8.888 1.714 1.00 2.27 C ATOM 738 C GLU A 50 14.142 -9.596 0.369 1.00 2.09 C ATOM 739 O GLU A 50 13.892 -10.799 0.307 1.00 2.74 O ATOM 740 CB GLU A 50 15.224 -9.635 2.618 1.00 3.06 C ATOM 741 CG GLU A 50 16.584 -8.944 2.667 1.00 3.83 C ATOM 742 CD GLU A 50 16.729 -7.974 1.503 1.00 4.43 C ATOM 743 OE1 GLU A 50 16.348 -6.794 1.659 1.00 4.97 O ATOM 744 OE2 GLU A 50 17.222 -8.394 0.435 1.00 4.75 O ATOM 0 H GLU A 50 12.632 -7.851 2.557 1.00 1.92 H new ATOM 0 HA GLU A 50 14.615 -7.876 1.547 1.00 2.27 H new ATOM 0 HB2 GLU A 50 14.812 -9.700 3.625 1.00 3.06 H new ATOM 0 HB3 GLU A 50 15.347 -10.656 2.257 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.693 -8.409 3.610 1.00 3.83 H new ATOM 0 HG3 GLU A 50 17.379 -9.689 2.629 1.00 3.83 H new ATOM 751 N LYS A 51 14.334 -8.838 -0.707 1.00 1.76 N ATOM 752 CA LYS A 51 14.263 -9.388 -2.056 1.00 1.77 C ATOM 753 C LYS A 51 12.836 -9.801 -2.393 1.00 1.55 C ATOM 754 O LYS A 51 12.218 -10.583 -1.671 1.00 2.20 O ATOM 755 CB LYS A 51 15.194 -10.591 -2.179 1.00 2.14 C ATOM 756 CG LYS A 51 16.355 -10.309 -3.129 1.00 2.60 C ATOM 757 CD LYS A 51 17.202 -9.134 -2.648 1.00 3.36 C ATOM 758 CE LYS A 51 18.691 -9.400 -2.845 1.00 4.12 C ATOM 759 NZ LYS A 51 19.465 -8.128 -2.904 1.00 4.81 N ATOM 0 H LYS A 51 14.540 -7.840 -0.670 1.00 1.76 H new ATOM 0 HA LYS A 51 14.577 -8.617 -2.760 1.00 1.77 H new ATOM 0 HB2 LYS A 51 15.584 -10.852 -1.195 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.631 -11.452 -2.538 1.00 2.14 H new ATOM 0 HG2 LYS A 51 16.980 -11.198 -3.214 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.967 -10.095 -4.125 1.00 2.60 H new ATOM 0 HD2 LYS A 51 16.917 -8.233 -3.191 1.00 3.36 H new ATOM 0 HD3 LYS A 51 17.001 -8.947 -1.593 1.00 3.36 H new ATOM 0 HE2 LYS A 51 19.064 -10.017 -2.028 1.00 4.12 H new ATOM 0 HE3 LYS A 51 18.843 -9.964 -3.765 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 20.474 -8.341 -3.039 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 19.124 -7.551 -3.699 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 19.338 -7.603 -2.015 1.00 4.81 H new ATOM 773 N SER A 52 12.319 -9.275 -3.499 1.00 1.19 N ATOM 774 CA SER A 52 10.965 -9.590 -3.941 1.00 1.04 C ATOM 775 C SER A 52 9.953 -9.319 -2.835 1.00 0.92 C ATOM 776 O SER A 52 9.572 -10.226 -2.095 1.00 1.19 O ATOM 777 CB SER A 52 10.890 -11.050 -4.363 1.00 1.25 C ATOM 778 OG SER A 52 11.466 -11.229 -5.647 1.00 2.03 O ATOM 0 H SER A 52 12.819 -8.627 -4.107 1.00 1.19 H new ATOM 0 HA SER A 52 10.723 -8.951 -4.790 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.411 -11.672 -3.635 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.850 -11.377 -4.376 1.00 1.25 H new ATOM 0 HG SER A 52 11.411 -12.174 -5.902 1.00 2.03 H new ATOM 784 N ASN A 53 9.514 -8.068 -2.730 1.00 0.68 N ATOM 785 CA ASN A 53 8.541 -7.678 -1.720 1.00 0.61 C ATOM 786 C ASN A 53 7.141 -7.634 -2.320 1.00 0.59 C ATOM 787 O ASN A 53 6.964 -7.842 -3.521 1.00 0.99 O ATOM 788 CB ASN A 53 8.901 -6.310 -1.149 1.00 0.60 C ATOM 789 CG ASN A 53 10.343 -6.300 -0.658 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.220 -6.926 -1.256 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.591 -5.588 0.434 1.00 1.28 N ATOM 0 H ASN A 53 9.819 -7.306 -3.335 1.00 0.68 H new ATOM 0 HA ASN A 53 8.557 -8.417 -0.919 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.765 -5.544 -1.912 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.229 -6.064 -0.327 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.538 -5.544 0.810 1.00 1.28 H new ATOM 0 HD22 ASN A 53 9.834 -5.085 0.898 1.00 1.28 H new ATOM 798 N LEU A 54 6.150 -7.362 -1.479 1.00 0.55 N ATOM 799 CA LEU A 54 4.764 -7.289 -1.928 1.00 0.51 C ATOM 800 C LEU A 54 3.925 -6.496 -0.935 1.00 0.44 C ATOM 801 O LEU A 54 3.434 -7.043 0.053 1.00 0.57 O ATOM 802 CB LEU A 54 4.194 -8.696 -2.084 1.00 0.65 C ATOM 803 CG LEU A 54 3.865 -9.011 -3.541 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.785 -10.518 -3.764 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.563 -8.334 -3.959 1.00 1.49 C ATOM 0 H LEU A 54 6.280 -7.188 -0.482 1.00 0.55 H new ATOM 0 HA LEU A 54 4.735 -6.782 -2.892 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.912 -9.424 -1.707 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.293 -8.794 -1.478 1.00 0.65 H new ATOM 0 HG LEU A 54 4.669 -8.618 -4.163 1.00 0.82 H new ATOM 0 HD11 LEU A 54 3.549 -10.719 -4.809 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.743 -10.974 -3.514 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.006 -10.939 -3.129 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.347 -8.572 -5.001 1.00 1.49 H new ATOM 0 HD22 LEU A 54 1.748 -8.692 -3.329 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.662 -7.254 -3.846 1.00 1.49 H new ATOM 817 N ILE A 55 3.761 -5.204 -1.203 1.00 0.31 N ATOM 818 CA ILE A 55 2.979 -4.337 -0.330 1.00 0.26 C ATOM 819 C ILE A 55 1.573 -4.893 -0.149 1.00 0.27 C ATOM 820 O ILE A 55 0.921 -5.286 -1.116 1.00 0.34 O ATOM 821 CB ILE A 55 2.910 -2.931 -0.913 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.313 -2.367 -1.130 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.100 -2.010 -0.006 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.267 -0.946 -1.683 1.00 0.35 C ATOM 0 H ILE A 55 4.159 -4.735 -2.017 1.00 0.31 H new ATOM 0 HA ILE A 55 3.467 -4.295 0.644 1.00 0.26 H new ATOM 0 HB ILE A 55 2.409 -2.989 -1.879 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.858 -2.373 -0.186 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.861 -3.009 -1.819 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.063 -1.011 -0.441 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.087 -2.399 0.096 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.570 -1.961 0.976 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.283 -0.578 -1.825 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.744 -0.944 -2.639 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.741 -0.299 -0.981 1.00 0.35 H new ATOM 836 N ARG A 56 1.111 -4.926 1.097 1.00 0.29 N ATOM 837 CA ARG A 56 -0.220 -5.436 1.405 1.00 0.32 C ATOM 838 C ARG A 56 -1.190 -4.291 1.662 1.00 0.29 C ATOM 839 O ARG A 56 -1.088 -3.590 2.669 1.00 0.42 O ATOM 840 CB ARG A 56 -0.158 -6.345 2.628 1.00 0.42 C ATOM 841 CG ARG A 56 0.567 -7.652 2.319 1.00 0.55 C ATOM 842 CD ARG A 56 1.881 -7.758 3.086 1.00 0.84 C ATOM 843 NE ARG A 56 1.625 -8.009 4.498 1.00 1.44 N ATOM 844 CZ ARG A 56 1.926 -9.171 5.066 1.00 1.77 C ATOM 845 NH1 ARG A 56 1.449 -10.301 4.562 1.00 2.33 N ATOM 846 NH2 ARG A 56 2.705 -9.205 6.139 1.00 2.19 N ATOM 0 H ARG A 56 1.638 -4.606 1.909 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.577 -6.007 0.548 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.352 -5.828 3.441 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.169 -6.562 2.973 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.075 -8.495 2.576 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.763 -7.716 1.249 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.488 -8.563 2.671 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.452 -6.837 2.971 1.00 0.84 H new ATOM 0 HE ARG A 56 1.204 -7.273 5.065 1.00 1.44 H new ATOM 0 HH11 ARG A 56 0.850 -10.279 3.737 1.00 2.33 H new ATOM 0 HH12 ARG A 56 1.681 -11.193 5.000 1.00 2.33 H new ATOM 0 HH21 ARG A 56 3.074 -8.338 6.529 1.00 2.19 H new ATOM 0 HH22 ARG A 56 2.935 -10.098 6.574 1.00 2.19 H new ATOM 860 N ILE A 57 -2.134 -4.107 0.745 1.00 0.24 N ATOM 861 CA ILE A 57 -3.129 -3.048 0.867 1.00 0.24 C ATOM 862 C ILE A 57 -4.514 -3.646 1.076 1.00 0.26 C ATOM 863 O ILE A 57 -4.887 -4.613 0.415 1.00 0.40 O ATOM 864 CB ILE A 57 -3.123 -2.182 -0.388 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.703 -1.727 -0.719 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.046 -0.979 -0.223 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.100 -0.902 0.414 1.00 1.32 C ATOM 0 H ILE A 57 -2.231 -4.680 -0.093 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.879 -2.430 1.730 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.495 -2.784 -1.217 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.076 -2.598 -0.909 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.714 -1.136 -1.635 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.025 -0.377 -1.131 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.064 -1.324 -0.040 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.710 -0.376 0.620 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.090 -0.596 0.143 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.713 -0.018 0.586 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.066 -1.503 1.323 1.00 1.32 H new ATOM 879 N GLU A 58 -5.275 -3.064 1.997 1.00 0.23 N ATOM 880 CA GLU A 58 -6.622 -3.545 2.286 1.00 0.25 C ATOM 881 C GLU A 58 -7.509 -2.398 2.745 1.00 0.24 C ATOM 882 O GLU A 58 -7.110 -1.589 3.582 1.00 0.26 O ATOM 883 CB GLU A 58 -6.572 -4.627 3.361 1.00 0.32 C ATOM 884 CG GLU A 58 -7.971 -5.103 3.745 1.00 0.37 C ATOM 885 CD GLU A 58 -7.885 -6.233 4.762 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.267 -7.272 4.449 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.436 -6.077 5.872 1.00 1.56 O ATOM 0 H GLU A 58 -4.984 -2.261 2.555 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.043 -3.968 1.374 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.986 -5.472 3.000 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.064 -4.240 4.244 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.543 -4.274 4.161 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.503 -5.444 2.857 1.00 0.37 H new ATOM 894 N GLY A 59 -8.713 -2.329 2.189 1.00 0.25 N ATOM 895 CA GLY A 59 -9.656 -1.275 2.537 1.00 0.27 C ATOM 896 C GLY A 59 -10.973 -1.438 1.790 1.00 0.39 C ATOM 897 O GLY A 59 -11.312 -2.533 1.340 1.00 0.59 O ATOM 0 H GLY A 59 -9.059 -2.992 1.495 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.841 -1.290 3.611 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.221 -0.304 2.302 1.00 0.27 H new ATOM 901 N ASP A 60 -11.710 -0.336 1.661 1.00 0.53 N ATOM 902 CA ASP A 60 -12.985 -0.325 0.972 1.00 0.70 C ATOM 903 C ASP A 60 -12.871 -1.046 -0.371 1.00 0.59 C ATOM 904 O ASP A 60 -11.788 -1.458 -0.778 1.00 1.04 O ATOM 905 CB ASP A 60 -13.450 1.123 0.755 1.00 1.22 C ATOM 906 CG ASP A 60 -13.977 1.323 -0.661 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.158 1.003 -0.907 1.00 2.31 O ATOM 908 OD2 ASP A 60 -13.207 1.800 -1.521 1.00 2.66 O ATOM 0 H ASP A 60 -11.433 0.572 2.034 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.719 -0.847 1.586 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.230 1.370 1.475 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -12.620 1.806 0.938 1.00 1.22 H new ATOM 913 N PRO A 61 -14.001 -1.211 -1.063 1.00 0.72 N ATOM 914 CA PRO A 61 -14.075 -1.884 -2.350 1.00 1.14 C ATOM 915 C PRO A 61 -13.962 -0.905 -3.515 1.00 0.88 C ATOM 916 O PRO A 61 -14.401 -1.191 -4.629 1.00 1.22 O ATOM 917 CB PRO A 61 -15.447 -2.557 -2.280 1.00 1.82 C ATOM 918 CG PRO A 61 -16.249 -1.758 -1.286 1.00 1.82 C ATOM 919 CD PRO A 61 -15.315 -0.763 -0.639 1.00 1.17 C ATOM 0 HA PRO A 61 -13.260 -2.586 -2.527 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.930 -2.562 -3.257 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -15.357 -3.596 -1.964 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -17.072 -1.244 -1.783 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -16.690 -2.413 -0.535 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -15.519 0.255 -0.971 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -15.411 -0.769 0.447 1.00 1.17 H new ATOM 927 N GLN A 62 -13.356 0.249 -3.244 1.00 0.64 N ATOM 928 CA GLN A 62 -13.163 1.280 -4.256 1.00 0.47 C ATOM 929 C GLN A 62 -11.922 2.103 -3.938 1.00 0.41 C ATOM 930 O GLN A 62 -11.101 2.375 -4.814 1.00 0.47 O ATOM 931 CB GLN A 62 -14.386 2.191 -4.320 1.00 0.69 C ATOM 932 CG GLN A 62 -15.583 1.475 -4.933 1.00 0.85 C ATOM 933 CD GLN A 62 -16.841 2.321 -4.787 1.00 1.34 C ATOM 934 OE1 GLN A 62 -17.324 2.551 -3.678 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.374 2.787 -5.911 1.00 1.73 N ATOM 0 H GLN A 62 -12.988 0.493 -2.324 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.030 0.797 -5.224 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.640 2.533 -3.316 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -14.150 3.078 -4.909 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.393 1.273 -5.987 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.727 0.511 -4.445 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.940 2.572 -6.809 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -18.217 3.360 -5.876 1.00 1.73 H new ATOM 944 N GLY A 63 -11.791 2.495 -2.674 1.00 0.37 N ATOM 945 CA GLY A 63 -10.652 3.286 -2.227 1.00 0.34 C ATOM 946 C GLY A 63 -9.389 2.438 -2.166 1.00 0.27 C ATOM 947 O GLY A 63 -8.286 2.934 -2.394 1.00 0.29 O ATOM 0 H GLY A 63 -12.464 2.276 -1.939 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.499 4.125 -2.906 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.860 3.706 -1.243 1.00 0.34 H new ATOM 951 N VAL A 64 -9.554 1.154 -1.860 1.00 0.24 N ATOM 952 CA VAL A 64 -8.421 0.243 -1.771 1.00 0.21 C ATOM 953 C VAL A 64 -7.901 -0.092 -3.168 1.00 0.24 C ATOM 954 O VAL A 64 -6.695 -0.227 -3.377 1.00 0.28 O ATOM 955 CB VAL A 64 -8.823 -1.023 -0.990 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.454 -2.090 -1.890 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.621 -1.592 -0.244 1.00 0.26 C ATOM 0 H VAL A 64 -10.459 0.724 -1.670 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.609 0.726 -1.226 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.584 -0.727 -0.268 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -9.719 -2.961 -1.291 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.351 -1.686 -2.359 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -8.742 -2.383 -2.661 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -7.922 -2.486 0.303 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -6.838 -1.849 -0.958 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.242 -0.848 0.457 1.00 0.26 H new ATOM 967 N GLN A 65 -8.820 -0.213 -4.123 1.00 0.25 N ATOM 968 CA GLN A 65 -8.453 -0.517 -5.500 1.00 0.30 C ATOM 969 C GLN A 65 -7.867 0.720 -6.166 1.00 0.30 C ATOM 970 O GLN A 65 -7.011 0.620 -7.044 1.00 0.34 O ATOM 971 CB GLN A 65 -9.675 -0.997 -6.276 1.00 0.37 C ATOM 972 CG GLN A 65 -10.735 0.094 -6.380 1.00 0.42 C ATOM 973 CD GLN A 65 -11.817 -0.310 -7.372 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.528 -1.294 -7.167 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.941 0.450 -8.454 1.00 0.82 N ATOM 0 H GLN A 65 -9.822 -0.105 -3.967 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.704 -1.309 -5.498 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.373 -1.309 -7.276 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.099 -1.872 -5.784 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.179 0.273 -5.401 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.273 1.029 -6.696 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.330 1.257 -8.583 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.647 0.227 -9.156 1.00 0.82 H new ATOM 984 N GLN A 66 -8.331 1.888 -5.732 1.00 0.29 N ATOM 985 CA GLN A 66 -7.850 3.152 -6.274 1.00 0.31 C ATOM 986 C GLN A 66 -6.459 3.452 -5.734 1.00 0.29 C ATOM 987 O GLN A 66 -5.558 3.825 -6.484 1.00 0.36 O ATOM 988 CB GLN A 66 -8.808 4.281 -5.903 1.00 0.35 C ATOM 989 CG GLN A 66 -9.957 4.392 -6.899 1.00 0.79 C ATOM 990 CD GLN A 66 -11.229 4.836 -6.191 1.00 1.10 C ATOM 991 OE1 GLN A 66 -11.232 5.065 -4.981 1.00 2.03 O ATOM 992 NE2 GLN A 66 -12.316 4.958 -6.945 1.00 1.31 N ATOM 0 H GLN A 66 -9.040 1.984 -5.006 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.801 3.075 -7.360 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.207 4.107 -4.904 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.263 5.225 -5.868 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.701 5.105 -7.682 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.120 3.430 -7.385 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -12.269 4.758 -7.944 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -13.198 5.252 -6.525 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.290 3.273 -4.427 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.006 3.512 -3.781 1.00 0.27 C ATOM 1003 C ALA A 67 -4.007 2.441 -4.197 1.00 0.26 C ATOM 1004 O ALA A 67 -2.824 2.719 -4.388 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.173 3.507 -2.264 1.00 0.29 C ATOM 0 H ALA A 67 -7.028 2.963 -3.795 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.631 4.487 -4.092 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.207 3.686 -1.791 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.871 4.291 -1.972 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.560 2.540 -1.944 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.497 1.213 -4.341 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.657 0.094 -4.741 1.00 0.28 C ATOM 1013 C LYS A 68 -3.025 0.369 -6.100 1.00 0.31 C ATOM 1014 O LYS A 68 -1.809 0.274 -6.261 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.490 -1.184 -4.801 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.675 -2.368 -5.316 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.387 -3.082 -6.463 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.502 -4.152 -7.095 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.319 -5.201 -7.767 1.00 0.88 N ATOM 0 H LYS A 68 -5.475 0.970 -4.185 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.863 -0.032 -4.005 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.876 -1.413 -3.808 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.352 -1.026 -5.450 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.699 -2.020 -5.653 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.499 -3.071 -4.502 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.305 -3.540 -6.093 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.677 -2.354 -7.221 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.831 -3.691 -7.820 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.877 -4.610 -6.328 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.794 -5.583 -8.579 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.521 -5.968 -7.094 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -5.213 -4.786 -8.097 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.859 0.721 -7.073 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.384 1.021 -8.417 1.00 0.43 C ATOM 1035 C ARG A 69 -2.535 2.284 -8.404 1.00 0.42 C ATOM 1036 O ARG A 69 -1.584 2.415 -9.174 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.567 1.200 -9.363 1.00 0.50 C ATOM 1038 CG ARG A 69 -5.105 -0.141 -9.852 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.625 -0.050 -11.284 1.00 1.36 C ATOM 1040 NE ARG A 69 -7.054 -0.338 -11.323 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.805 -0.005 -12.368 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.787 -0.751 -13.464 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -8.575 1.073 -12.317 1.00 2.76 N ATOM 0 H ARG A 69 -4.869 0.805 -6.955 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.773 0.188 -8.766 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.361 1.747 -8.854 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.262 1.803 -10.218 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -4.316 -0.892 -9.798 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.907 -0.474 -9.193 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.437 0.946 -11.684 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.088 -0.755 -11.919 1.00 1.36 H new ATOM 0 HE ARG A 69 -7.488 -0.807 -10.528 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.196 -1.582 -13.506 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -8.364 -0.494 -14.265 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -8.592 1.648 -11.475 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -9.151 1.327 -13.120 1.00 2.76 H new ATOM 1057 N GLU A 70 -2.886 3.211 -7.518 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.161 4.469 -7.394 1.00 0.43 C ATOM 1059 C GLU A 70 -0.747 4.219 -6.886 1.00 0.44 C ATOM 1060 O GLU A 70 0.194 4.909 -7.278 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.900 5.402 -6.438 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.231 6.772 -6.358 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.897 7.745 -7.321 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.665 7.287 -8.193 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -2.650 8.963 -7.201 1.00 1.50 O ATOM 0 H GLU A 70 -3.671 3.113 -6.874 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.101 4.937 -8.377 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.932 5.519 -6.769 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.933 4.954 -5.445 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.296 7.156 -5.340 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.172 6.681 -6.598 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.602 3.226 -6.014 1.00 0.40 N ATOM 1073 CA LEU A 71 0.700 2.883 -5.453 1.00 0.47 C ATOM 1074 C LEU A 71 1.597 2.279 -6.527 1.00 0.52 C ATOM 1075 O LEU A 71 2.725 2.725 -6.732 1.00 0.60 O ATOM 1076 CB LEU A 71 0.533 1.893 -4.304 1.00 0.51 C ATOM 1077 CG LEU A 71 0.112 2.593 -3.016 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.791 1.689 -2.181 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.336 3.024 -2.212 1.00 1.15 C ATOM 0 H LEU A 71 -1.371 2.644 -5.680 1.00 0.40 H new ATOM 0 HA LEU A 71 1.165 3.794 -5.075 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.213 1.145 -4.573 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.471 1.363 -4.141 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.453 3.486 -3.282 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.080 2.208 -1.267 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.684 1.438 -2.753 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.255 0.775 -1.926 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.014 3.521 -1.297 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.932 2.147 -1.958 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.938 3.712 -2.806 1.00 1.15 H new ATOM 1091 N LEU A 72 1.087 1.261 -7.210 1.00 0.52 N ATOM 1092 CA LEU A 72 1.839 0.593 -8.265 1.00 0.63 C ATOM 1093 C LEU A 72 2.197 1.575 -9.376 1.00 0.67 C ATOM 1094 O LEU A 72 3.152 1.360 -10.121 1.00 0.83 O ATOM 1095 CB LEU A 72 1.024 -0.563 -8.836 1.00 0.66 C ATOM 1096 CG LEU A 72 1.777 -1.887 -8.730 1.00 0.88 C ATOM 1097 CD1 LEU A 72 0.828 -3.066 -8.923 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.917 -1.942 -9.743 1.00 1.99 C ATOM 0 H LEU A 72 0.154 0.880 -7.052 1.00 0.52 H new ATOM 0 HA LEU A 72 2.762 0.203 -7.836 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.076 -0.639 -8.303 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.787 -0.361 -9.881 1.00 0.66 H new ATOM 0 HG LEU A 72 2.205 -1.955 -7.730 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.386 -3.999 -8.843 1.00 1.04 H new ATOM 0 HD12 LEU A 72 0.054 -3.039 -8.156 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.365 -3.003 -9.908 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.440 -2.894 -9.650 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.513 -1.847 -10.751 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.613 -1.125 -9.552 1.00 1.99 H new ATOM 1110 N GLU A 73 1.425 2.653 -9.485 1.00 0.64 N ATOM 1111 CA GLU A 73 1.663 3.664 -10.508 1.00 0.74 C ATOM 1112 C GLU A 73 2.636 4.724 -10.005 1.00 0.71 C ATOM 1113 O GLU A 73 3.829 4.675 -10.303 1.00 0.88 O ATOM 1114 CB GLU A 73 0.345 4.322 -10.907 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.427 3.468 -11.909 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.464 4.153 -13.269 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.619 4.404 -13.839 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.575 4.440 -13.761 1.00 2.05 O ATOM 0 H GLU A 73 0.630 2.848 -8.877 1.00 0.64 H new ATOM 0 HA GLU A 73 2.102 3.175 -11.378 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.266 4.483 -10.019 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.543 5.302 -11.340 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.042 2.489 -12.000 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.443 3.303 -11.550 1.00 1.00 H new ATOM 1125 N LEU A 74 2.118 5.683 -9.245 1.00 0.64 N ATOM 1126 CA LEU A 74 2.939 6.760 -8.703 1.00 0.71 C ATOM 1127 C LEU A 74 3.755 6.270 -7.513 1.00 0.82 C ATOM 1128 O LEU A 74 4.900 6.679 -7.324 1.00 1.13 O ATOM 1129 CB LEU A 74 2.051 7.926 -8.276 1.00 0.85 C ATOM 1130 CG LEU A 74 1.259 8.491 -9.453 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.226 9.506 -8.969 1.00 1.19 C ATOM 1132 CD2 LEU A 74 2.193 9.123 -10.481 1.00 1.32 C ATOM 0 H LEU A 74 1.132 5.737 -8.990 1.00 0.64 H new ATOM 0 HA LEU A 74 3.626 7.094 -9.480 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.362 7.594 -7.499 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.667 8.713 -7.840 1.00 0.85 H new ATOM 0 HG LEU A 74 0.731 7.667 -9.934 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.328 9.897 -9.823 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.465 9.021 -8.279 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.732 10.326 -8.459 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.607 9.519 -11.310 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.754 9.933 -10.014 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.887 8.370 -10.854 1.00 1.32 H new ATOM 1144 N ALA A 75 3.159 5.394 -6.712 1.00 0.78 N ATOM 1145 CA ALA A 75 3.831 4.848 -5.537 1.00 0.99 C ATOM 1146 C ALA A 75 4.082 5.942 -4.507 1.00 1.70 C ATOM 1147 O ALA A 75 5.209 6.410 -4.346 1.00 2.16 O ATOM 1148 CB ALA A 75 5.155 4.208 -5.945 1.00 1.14 C ATOM 0 H ALA A 75 2.211 5.046 -6.854 1.00 0.78 H new ATOM 0 HA ALA A 75 3.187 4.090 -5.091 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.650 3.803 -5.063 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.967 3.404 -6.657 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.795 4.959 -6.408 1.00 1.14 H new ATOM 1154 N SER A 76 3.024 6.346 -3.812 1.00 2.17 N ATOM 1155 CA SER A 76 3.127 7.386 -2.796 1.00 3.01 C ATOM 1156 C SER A 76 3.598 8.695 -3.415 1.00 3.57 C ATOM 1157 O SER A 76 3.881 8.710 -4.632 1.00 4.23 O ATOM 1158 CB SER A 76 4.098 6.952 -1.701 1.00 3.63 C ATOM 1159 OG SER A 76 5.430 7.295 -2.057 1.00 4.36 O ATOM 1160 OXT SER A 76 3.685 9.703 -2.683 1.00 3.89 O ATOM 0 H SER A 76 2.084 5.968 -3.934 1.00 2.17 H new ATOM 0 HA SER A 76 2.140 7.542 -2.360 1.00 3.01 H new ATOM 0 HB2 SER A 76 3.832 7.431 -0.759 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.022 5.876 -1.544 1.00 3.63 H new ATOM 0 HG SER A 76 5.714 6.754 -2.823 1.00 4.36 H new TER 1166 SER A 76