USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 527 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 21 THR OG1 : rot 48:sc= 0.166 USER MOD Set 1.2: A 22 ASN : amide:sc= 0.224 X(o=0.39,f=0) USER MOD Set 2.1: A 12 ASN :FLIP amide:sc= -0.48 F(o=0.23,f=0.82) USER MOD Set 2.2: A 13 THR OG1 : rot 137:sc= 1.3 USER MOD Single : A 6 SER OG : rot 97:sc= -2.07! USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= -0.0102 (180deg=-0.114) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 110:sc= -0.45 USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.965) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.02) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.0119 (180deg=-0.22) USER MOD Single : A 28 SER OG : rot 180:sc= -0.348 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.00099) USER MOD Single : A 48 GLN :FLIP amide:sc= -6! C(o=-9.4!,f=-6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.45! C(o=-1.4!,f=-5.1!) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc=-0.00369 (180deg=-0.0809) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -49:sc= -0.517! USER MOD Single : A 83 ASN : amide:sc= -0.0958 K(o=-0.096,f=-9.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 5.744 -6.022 -4.430 1.00 0.81 N ATOM 29 CA TRP A 4 6.992 -5.790 -3.720 1.00 0.60 C ATOM 30 C TRP A 4 7.399 -7.042 -2.954 1.00 0.62 C ATOM 31 O TRP A 4 6.569 -7.922 -2.701 1.00 0.74 O ATOM 32 CB TRP A 4 6.840 -4.626 -2.740 1.00 0.45 C ATOM 33 CG TRP A 4 6.688 -3.288 -3.394 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.546 -2.750 -3.914 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.716 -2.313 -3.591 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.802 -1.498 -4.416 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.127 -1.210 -4.233 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.077 -2.266 -3.284 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.852 -0.074 -4.574 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.796 -1.138 -3.623 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.183 -0.057 -4.262 1.00 0.52 C ATOM 0 HA TRP A 4 7.762 -5.544 -4.451 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.971 -4.809 -2.108 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.711 -4.601 -2.085 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.583 -3.238 -3.928 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.116 -0.883 -4.854 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.558 -3.097 -2.790 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.381 0.764 -5.067 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.850 -1.090 -3.391 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.774 0.811 -4.515 1.00 0.52 H new ATOM 52 N GLU A 5 8.673 -7.115 -2.587 1.00 0.66 N ATOM 53 CA GLU A 5 9.194 -8.243 -1.829 1.00 0.73 C ATOM 54 C GLU A 5 8.568 -8.310 -0.442 1.00 0.67 C ATOM 55 O GLU A 5 8.862 -7.490 0.428 1.00 0.78 O ATOM 56 CB GLU A 5 10.718 -8.154 -1.722 1.00 0.96 C ATOM 57 CG GLU A 5 11.441 -8.657 -2.961 1.00 1.49 C ATOM 58 CD GLU A 5 11.257 -10.147 -3.168 1.00 2.14 C ATOM 59 OE1 GLU A 5 10.166 -10.561 -3.618 1.00 2.65 O ATOM 60 OE2 GLU A 5 12.206 -10.916 -2.903 1.00 2.73 O ATOM 0 H GLU A 5 9.367 -6.400 -2.805 1.00 0.66 H new ATOM 0 HA GLU A 5 8.931 -9.157 -2.361 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.002 -7.117 -1.540 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.048 -8.731 -0.858 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.072 -8.122 -3.836 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.504 -8.433 -2.875 1.00 1.49 H new ATOM 67 N SER A 6 7.719 -9.305 -0.240 1.00 0.74 N ATOM 68 CA SER A 6 7.011 -9.474 1.017 1.00 0.87 C ATOM 69 C SER A 6 7.609 -10.629 1.816 1.00 0.88 C ATOM 70 O SER A 6 6.927 -11.246 2.633 1.00 0.90 O ATOM 71 CB SER A 6 5.529 -9.732 0.744 1.00 1.16 C ATOM 72 OG SER A 6 5.011 -8.780 -0.170 1.00 1.75 O ATOM 0 H SER A 6 7.503 -10.015 -0.940 1.00 0.74 H new ATOM 0 HA SER A 6 7.113 -8.561 1.604 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.398 -10.737 0.342 1.00 1.16 H new ATOM 0 HB3 SER A 6 4.970 -9.687 1.678 1.00 1.16 H new ATOM 0 HG SER A 6 5.016 -9.158 -1.074 1.00 1.75 H new ATOM 78 N LYS A 7 8.892 -10.902 1.576 1.00 0.95 N ATOM 79 CA LYS A 7 9.590 -12.028 2.207 1.00 1.09 C ATOM 80 C LYS A 7 9.588 -11.924 3.734 1.00 1.03 C ATOM 81 O LYS A 7 9.876 -12.897 4.428 1.00 1.09 O ATOM 82 CB LYS A 7 11.042 -12.125 1.710 1.00 1.37 C ATOM 83 CG LYS A 7 11.972 -11.046 2.255 1.00 1.65 C ATOM 84 CD LYS A 7 11.837 -9.734 1.499 1.00 2.11 C ATOM 85 CE LYS A 7 12.605 -8.611 2.181 1.00 2.79 C ATOM 86 NZ LYS A 7 14.043 -8.941 2.373 1.00 3.24 N ATOM 0 H LYS A 7 9.475 -10.354 0.943 1.00 0.95 H new ATOM 0 HA LYS A 7 9.045 -12.928 1.922 1.00 1.09 H new ATOM 0 HB2 LYS A 7 11.441 -13.102 1.983 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.044 -12.072 0.621 1.00 1.37 H new ATOM 0 HG2 LYS A 7 11.753 -10.879 3.310 1.00 1.65 H new ATOM 0 HG3 LYS A 7 13.003 -11.394 2.194 1.00 1.65 H new ATOM 0 HD2 LYS A 7 12.205 -9.861 0.481 1.00 2.11 H new ATOM 0 HD3 LYS A 7 10.784 -9.463 1.426 1.00 2.11 H new ATOM 0 HE2 LYS A 7 12.520 -7.702 1.585 1.00 2.79 H new ATOM 0 HE3 LYS A 7 12.151 -8.400 3.149 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 14.550 -8.100 2.715 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 14.133 -9.707 3.071 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 14.453 -9.248 1.468 1.00 3.24 H new ATOM 100 N THR A 8 9.267 -10.745 4.248 1.00 1.01 N ATOM 101 CA THR A 8 9.217 -10.521 5.684 1.00 1.08 C ATOM 102 C THR A 8 7.995 -11.195 6.299 1.00 0.93 C ATOM 103 O THR A 8 7.907 -11.364 7.516 1.00 1.03 O ATOM 104 CB THR A 8 9.174 -9.015 5.999 1.00 1.25 C ATOM 105 OG1 THR A 8 8.112 -8.393 5.259 1.00 2.05 O ATOM 106 CG2 THR A 8 10.494 -8.350 5.646 1.00 1.66 C ATOM 0 H THR A 8 9.036 -9.925 3.687 1.00 1.01 H new ATOM 0 HA THR A 8 10.119 -10.955 6.115 1.00 1.08 H new ATOM 0 HB THR A 8 8.998 -8.894 7.068 1.00 1.25 H new ATOM 0 HG1 THR A 8 8.088 -7.435 5.464 1.00 2.05 H new ATOM 0 HG21 THR A 8 10.439 -7.286 5.878 1.00 1.66 H new ATOM 0 HG22 THR A 8 11.297 -8.806 6.224 1.00 1.66 H new ATOM 0 HG23 THR A 8 10.694 -8.480 4.582 1.00 1.66 H new ATOM 114 N GLY A 9 7.047 -11.569 5.443 1.00 0.79 N ATOM 115 CA GLY A 9 5.808 -12.156 5.909 1.00 0.79 C ATOM 116 C GLY A 9 4.915 -11.127 6.566 1.00 0.69 C ATOM 117 O GLY A 9 3.884 -11.458 7.147 1.00 0.88 O ATOM 0 H GLY A 9 7.119 -11.474 4.430 1.00 0.79 H new ATOM 0 HA2 GLY A 9 5.282 -12.611 5.070 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.027 -12.954 6.618 1.00 0.79 H new ATOM 121 N SER A 10 5.312 -9.866 6.460 1.00 0.61 N ATOM 122 CA SER A 10 4.599 -8.782 7.107 1.00 0.73 C ATOM 123 C SER A 10 3.489 -8.252 6.204 1.00 0.64 C ATOM 124 O SER A 10 2.648 -7.463 6.634 1.00 0.73 O ATOM 125 CB SER A 10 5.579 -7.665 7.477 1.00 0.96 C ATOM 126 OG SER A 10 4.993 -6.746 8.381 1.00 1.72 O ATOM 0 H SER A 10 6.130 -9.571 5.927 1.00 0.61 H new ATOM 0 HA SER A 10 4.136 -9.159 8.019 1.00 0.73 H new ATOM 0 HB2 SER A 10 6.475 -8.097 7.924 1.00 0.96 H new ATOM 0 HB3 SER A 10 5.894 -7.141 6.575 1.00 0.96 H new ATOM 0 HG SER A 10 5.412 -6.841 9.262 1.00 1.72 H new ATOM 132 N CYS A 11 3.475 -8.693 4.953 1.00 0.52 N ATOM 133 CA CYS A 11 2.421 -8.288 4.041 1.00 0.44 C ATOM 134 C CYS A 11 1.716 -9.511 3.472 1.00 0.41 C ATOM 135 O CYS A 11 2.348 -10.516 3.144 1.00 0.43 O ATOM 136 CB CYS A 11 2.999 -7.437 2.910 1.00 0.41 C ATOM 137 SG CYS A 11 1.735 -6.732 1.803 1.00 1.19 S ATOM 0 H CYS A 11 4.172 -9.322 4.554 1.00 0.52 H new ATOM 0 HA CYS A 11 1.694 -7.691 4.592 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.585 -6.625 3.341 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.684 -8.047 2.322 1.00 0.41 H new ATOM 142 N ASN A 12 0.399 -9.405 3.362 1.00 0.46 N ATOM 143 CA ASN A 12 -0.437 -10.499 2.887 1.00 0.53 C ATOM 144 C ASN A 12 -0.714 -10.415 1.388 1.00 0.47 C ATOM 145 O ASN A 12 -0.858 -11.436 0.722 1.00 0.57 O ATOM 146 CB ASN A 12 -1.760 -10.523 3.661 1.00 0.69 C ATOM 147 CG ASN A 12 -2.184 -9.145 4.139 1.00 0.90 C ATOM 148 OD1 ASN A 12 -2.808 -8.373 3.265 1.00 1.66 O flip ATOM 149 ND2 ASN A 12 -1.923 -8.766 5.281 1.00 1.03 N flip ATOM 0 H ASN A 12 -0.120 -8.559 3.599 1.00 0.46 H new ATOM 0 HA ASN A 12 0.113 -11.423 3.063 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -2.541 -10.939 3.025 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -1.662 -11.187 4.520 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -1.440 -9.390 5.928 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -2.190 -7.828 5.580 1.00 1.03 H new ATOM 156 N THR A 13 -0.785 -9.203 0.860 1.00 0.38 N ATOM 157 CA THR A 13 -1.173 -9.002 -0.532 1.00 0.37 C ATOM 158 C THR A 13 0.024 -8.715 -1.429 1.00 0.35 C ATOM 159 O THR A 13 -0.047 -8.876 -2.650 1.00 0.44 O ATOM 160 CB THR A 13 -2.178 -7.850 -0.641 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.859 -6.857 0.343 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.602 -8.345 -0.435 1.00 0.52 C ATOM 0 H THR A 13 -0.580 -8.344 1.371 1.00 0.38 H new ATOM 0 HA THR A 13 -1.631 -9.931 -0.872 1.00 0.37 H new ATOM 0 HB THR A 13 -2.113 -7.420 -1.640 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.923 -5.966 -0.059 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.294 -7.507 -0.518 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.842 -9.090 -1.194 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.692 -8.793 0.554 1.00 0.52 H new ATOM 170 N GLY A 14 1.115 -8.276 -0.826 1.00 0.29 N ATOM 171 CA GLY A 14 2.316 -7.995 -1.583 1.00 0.31 C ATOM 172 C GLY A 14 2.373 -6.566 -2.076 1.00 0.30 C ATOM 173 O GLY A 14 3.288 -6.194 -2.810 1.00 0.43 O ATOM 0 H GLY A 14 1.192 -8.108 0.177 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.188 -8.196 -0.961 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.370 -8.672 -2.436 1.00 0.31 H new ATOM 177 N LYS A 15 1.397 -5.760 -1.676 1.00 0.24 N ATOM 178 CA LYS A 15 1.382 -4.353 -2.045 1.00 0.25 C ATOM 179 C LYS A 15 2.036 -3.512 -0.961 1.00 0.24 C ATOM 180 O LYS A 15 1.369 -3.047 -0.037 1.00 0.25 O ATOM 181 CB LYS A 15 -0.038 -3.849 -2.278 1.00 0.31 C ATOM 182 CG LYS A 15 -0.665 -4.334 -3.568 1.00 0.41 C ATOM 183 CD LYS A 15 -2.001 -3.644 -3.797 1.00 0.57 C ATOM 184 CE LYS A 15 -2.689 -4.119 -5.061 1.00 0.69 C ATOM 185 NZ LYS A 15 -1.864 -3.890 -6.277 1.00 1.64 N ATOM 0 H LYS A 15 0.610 -6.056 -1.099 1.00 0.24 H new ATOM 0 HA LYS A 15 1.943 -4.258 -2.975 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -0.664 -4.162 -1.443 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.029 -2.759 -2.279 1.00 0.31 H new ATOM 0 HG2 LYS A 15 0.004 -4.132 -4.404 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -0.808 -5.414 -3.528 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -2.652 -3.826 -2.942 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -1.845 -2.567 -3.855 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.912 -5.182 -4.972 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.642 -3.601 -5.169 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -2.466 -3.955 -7.122 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -1.433 -2.945 -6.231 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -1.115 -4.610 -6.329 1.00 1.64 H new ATOM 199 N LEU A 16 3.340 -3.336 -1.065 1.00 0.26 N ATOM 200 CA LEU A 16 4.066 -2.497 -0.137 1.00 0.30 C ATOM 201 C LEU A 16 4.179 -1.091 -0.704 1.00 0.33 C ATOM 202 O LEU A 16 4.883 -0.866 -1.683 1.00 0.55 O ATOM 203 CB LEU A 16 5.461 -3.073 0.135 1.00 0.35 C ATOM 204 CG LEU A 16 5.508 -4.325 1.018 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.778 -5.482 0.371 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.946 -4.714 1.322 1.00 0.43 C ATOM 0 H LEU A 16 3.918 -3.766 -1.787 1.00 0.26 H new ATOM 0 HA LEU A 16 3.522 -2.462 0.807 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.928 -3.309 -0.821 1.00 0.35 H new ATOM 0 HB3 LEU A 16 6.068 -2.298 0.604 1.00 0.35 H new ATOM 0 HG LEU A 16 5.004 -4.088 1.955 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.830 -6.355 1.022 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.735 -5.210 0.211 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.243 -5.716 -0.587 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.957 -5.605 1.950 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.472 -4.921 0.390 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.442 -3.896 1.845 1.00 0.43 H new ATOM 218 N ALA A 17 3.467 -0.152 -0.113 1.00 0.27 N ATOM 219 CA ALA A 17 3.488 1.219 -0.595 1.00 0.27 C ATOM 220 C ALA A 17 3.890 2.177 0.511 1.00 0.24 C ATOM 221 O ALA A 17 3.563 1.965 1.683 1.00 0.28 O ATOM 222 CB ALA A 17 2.132 1.601 -1.171 1.00 0.29 C ATOM 0 H ALA A 17 2.869 -0.310 0.698 1.00 0.27 H new ATOM 0 HA ALA A 17 4.233 1.290 -1.388 1.00 0.27 H new ATOM 0 HB1 ALA A 17 2.165 2.631 -1.527 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.889 0.937 -2.001 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.369 1.509 -0.398 1.00 0.29 H new ATOM 228 N CYS A 18 4.630 3.212 0.140 1.00 0.26 N ATOM 229 CA CYS A 18 4.999 4.260 1.078 1.00 0.26 C ATOM 230 C CYS A 18 3.832 5.222 1.249 1.00 0.24 C ATOM 231 O CYS A 18 3.634 6.130 0.440 1.00 0.32 O ATOM 232 CB CYS A 18 6.235 5.007 0.577 1.00 0.36 C ATOM 233 SG CYS A 18 7.700 3.949 0.343 1.00 0.74 S ATOM 0 H CYS A 18 4.987 3.348 -0.806 1.00 0.26 H new ATOM 0 HA CYS A 18 5.237 3.812 2.043 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.995 5.491 -0.370 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.481 5.798 1.286 1.00 0.36 H new ATOM 238 N CYS A 19 3.069 5.033 2.310 1.00 0.21 N ATOM 239 CA CYS A 19 1.809 5.739 2.466 1.00 0.21 C ATOM 240 C CYS A 19 1.858 6.714 3.633 1.00 0.23 C ATOM 241 O CYS A 19 2.666 6.567 4.553 1.00 0.30 O ATOM 242 CB CYS A 19 0.666 4.745 2.681 1.00 0.23 C ATOM 243 SG CYS A 19 0.359 3.609 1.286 1.00 0.50 S ATOM 0 H CYS A 19 3.298 4.398 3.075 1.00 0.21 H new ATOM 0 HA CYS A 19 1.635 6.305 1.551 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.881 4.154 3.571 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.248 5.304 2.883 1.00 0.23 H new ATOM 248 N ASP A 20 0.988 7.712 3.576 1.00 0.23 N ATOM 249 CA ASP A 20 0.825 8.669 4.652 1.00 0.28 C ATOM 250 C ASP A 20 -0.268 8.186 5.593 1.00 0.28 C ATOM 251 O ASP A 20 -1.449 8.462 5.385 1.00 0.34 O ATOM 252 CB ASP A 20 0.468 10.053 4.096 1.00 0.37 C ATOM 253 CG ASP A 20 1.645 10.749 3.442 1.00 1.01 C ATOM 254 OD1 ASP A 20 1.642 10.904 2.199 1.00 1.65 O ATOM 255 OD2 ASP A 20 2.576 11.156 4.170 1.00 1.33 O ATOM 0 H ASP A 20 0.375 7.878 2.778 1.00 0.23 H new ATOM 0 HA ASP A 20 1.765 8.754 5.197 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -0.337 9.950 3.368 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.088 10.677 4.905 1.00 0.37 H new ATOM 260 N THR A 21 0.136 7.469 6.631 1.00 0.31 N ATOM 261 CA THR A 21 -0.797 6.800 7.530 1.00 0.36 C ATOM 262 C THR A 21 -1.671 7.780 8.307 1.00 0.42 C ATOM 263 O THR A 21 -2.708 7.404 8.854 1.00 0.52 O ATOM 264 CB THR A 21 -0.039 5.907 8.527 1.00 0.41 C ATOM 265 OG1 THR A 21 0.997 6.666 9.171 1.00 0.41 O ATOM 266 CG2 THR A 21 0.573 4.706 7.826 1.00 0.43 C ATOM 0 H THR A 21 1.117 7.334 6.875 1.00 0.31 H new ATOM 0 HA THR A 21 -1.449 6.194 6.900 1.00 0.36 H new ATOM 0 HB THR A 21 -0.750 5.549 9.272 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.631 7.519 9.485 1.00 0.41 H new ATOM 0 HG21 THR A 21 1.103 4.091 8.553 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.216 4.116 7.359 1.00 0.43 H new ATOM 0 HG23 THR A 21 1.271 5.048 7.062 1.00 0.43 H new ATOM 274 N ASN A 22 -1.279 9.043 8.315 1.00 0.43 N ATOM 275 CA ASN A 22 -1.918 10.029 9.162 1.00 0.56 C ATOM 276 C ASN A 22 -2.771 10.926 8.300 1.00 0.50 C ATOM 277 O ASN A 22 -3.436 11.843 8.774 1.00 0.63 O ATOM 278 CB ASN A 22 -0.860 10.843 9.905 1.00 0.70 C ATOM 279 CG ASN A 22 0.032 9.973 10.771 1.00 1.35 C ATOM 280 OD1 ASN A 22 1.046 9.446 10.310 1.00 1.87 O ATOM 281 ND2 ASN A 22 -0.335 9.816 12.029 1.00 2.20 N ATOM 0 H ASN A 22 -0.519 9.408 7.742 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.546 9.535 9.903 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.247 11.383 9.183 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.351 11.590 10.528 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.228 9.242 12.657 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -1.182 10.269 12.374 1.00 2.20 H new ATOM 288 N LYS A 23 -2.752 10.618 7.022 1.00 0.40 N ATOM 289 CA LYS A 23 -3.464 11.373 6.029 1.00 0.39 C ATOM 290 C LYS A 23 -4.401 10.447 5.259 1.00 0.32 C ATOM 291 O LYS A 23 -4.001 9.733 4.336 1.00 0.39 O ATOM 292 CB LYS A 23 -2.456 12.072 5.125 1.00 0.47 C ATOM 293 CG LYS A 23 -3.044 12.558 3.833 1.00 0.95 C ATOM 294 CD LYS A 23 -4.057 13.673 4.043 1.00 1.53 C ATOM 295 CE LYS A 23 -4.631 14.142 2.729 1.00 1.84 C ATOM 296 NZ LYS A 23 -5.626 15.233 2.900 1.00 2.60 N ATOM 0 H LYS A 23 -2.233 9.825 6.644 1.00 0.40 H new ATOM 0 HA LYS A 23 -4.083 12.141 6.492 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -2.026 12.919 5.660 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -1.638 11.385 4.907 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.244 12.914 3.184 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -3.525 11.725 3.319 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -4.861 13.321 4.689 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -3.581 14.510 4.554 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -3.822 14.490 2.086 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -5.103 13.301 2.221 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 -5.990 15.520 1.969 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -6.413 14.896 3.491 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 -5.172 16.048 3.360 1.00 2.60 H new ATOM 310 N LYS A 24 -5.657 10.477 5.664 1.00 0.49 N ATOM 311 CA LYS A 24 -6.664 9.547 5.184 1.00 0.49 C ATOM 312 C LYS A 24 -7.350 10.082 3.930 1.00 0.45 C ATOM 313 O LYS A 24 -7.246 11.267 3.606 1.00 0.48 O ATOM 314 CB LYS A 24 -7.709 9.298 6.277 1.00 0.61 C ATOM 315 CG LYS A 24 -7.220 8.477 7.472 1.00 0.91 C ATOM 316 CD LYS A 24 -6.214 9.239 8.326 1.00 1.32 C ATOM 317 CE LYS A 24 -5.963 8.555 9.664 1.00 1.88 C ATOM 318 NZ LYS A 24 -5.435 7.171 9.511 1.00 2.17 N ATOM 0 H LYS A 24 -6.011 11.153 6.341 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.168 8.609 4.933 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -8.067 10.261 6.641 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.563 8.788 5.831 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -8.073 8.192 8.087 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.763 7.554 7.113 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.273 9.329 7.783 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -6.580 10.251 8.500 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -5.255 9.148 10.243 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -6.893 8.524 10.232 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -5.394 6.710 10.442 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -6.061 6.628 8.883 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -4.480 7.207 9.100 1.00 2.17 H new ATOM 332 N VAL A 25 -8.050 9.199 3.233 1.00 0.46 N ATOM 333 CA VAL A 25 -8.743 9.553 1.999 1.00 0.50 C ATOM 334 C VAL A 25 -10.246 9.349 2.160 1.00 0.56 C ATOM 335 O VAL A 25 -10.686 8.484 2.920 1.00 0.57 O ATOM 336 CB VAL A 25 -8.267 8.683 0.816 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.666 9.303 -0.511 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.769 8.454 0.866 1.00 0.44 C ATOM 0 H VAL A 25 -8.155 8.221 3.504 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.518 10.599 1.793 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.759 7.714 0.904 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.318 8.670 -1.327 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.751 9.393 -0.559 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.215 10.291 -0.601 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.467 7.838 0.019 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.253 9.413 0.820 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.509 7.946 1.795 1.00 0.44 H new ATOM 348 N GLN A 26 -11.021 10.154 1.443 1.00 0.66 N ATOM 349 CA GLN A 26 -12.465 10.003 1.403 1.00 0.78 C ATOM 350 C GLN A 26 -12.829 8.899 0.423 1.00 0.75 C ATOM 351 O GLN A 26 -13.731 8.103 0.671 1.00 0.87 O ATOM 352 CB GLN A 26 -13.126 11.316 0.987 1.00 0.97 C ATOM 353 CG GLN A 26 -12.992 12.421 2.024 1.00 1.71 C ATOM 354 CD GLN A 26 -13.662 13.718 1.604 1.00 2.23 C ATOM 355 OE1 GLN A 26 -13.707 13.978 0.308 1.00 2.62 O flip ATOM 356 NE2 GLN A 26 -14.133 14.485 2.444 1.00 2.83 N flip ATOM 0 H GLN A 26 -10.666 10.925 0.877 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.825 9.738 2.397 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.685 11.654 0.049 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -14.184 11.136 0.795 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -13.427 12.083 2.965 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -11.935 12.609 2.211 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -14.080 14.251 3.435 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -14.577 15.355 2.149 1.00 2.83 H new ATOM 365 N LYS A 27 -12.118 8.869 -0.696 1.00 0.96 N ATOM 366 CA LYS A 27 -12.233 7.778 -1.652 1.00 1.06 C ATOM 367 C LYS A 27 -11.637 6.517 -1.043 1.00 0.94 C ATOM 368 O LYS A 27 -10.473 6.508 -0.647 1.00 1.56 O ATOM 369 CB LYS A 27 -11.491 8.135 -2.941 1.00 1.81 C ATOM 370 CG LYS A 27 -12.041 9.370 -3.645 1.00 2.36 C ATOM 371 CD LYS A 27 -13.356 9.098 -4.356 1.00 2.79 C ATOM 372 CE LYS A 27 -13.183 8.063 -5.447 1.00 3.33 C ATOM 373 NZ LYS A 27 -12.238 8.512 -6.505 1.00 4.07 N ATOM 0 H LYS A 27 -11.452 9.593 -0.964 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.284 7.608 -1.888 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -10.438 8.298 -2.710 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -11.540 7.287 -3.624 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -12.185 10.167 -2.915 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -11.308 9.729 -4.368 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -14.097 8.751 -3.636 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -13.738 10.024 -4.786 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -12.820 7.133 -5.009 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.152 7.846 -5.896 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -12.668 8.363 -7.440 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -12.028 9.523 -6.377 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -11.356 7.964 -6.438 1.00 4.07 H new ATOM 387 N SER A 28 -12.431 5.467 -0.927 1.00 0.83 N ATOM 388 CA SER A 28 -11.965 4.248 -0.283 1.00 1.35 C ATOM 389 C SER A 28 -12.646 3.014 -0.860 1.00 1.17 C ATOM 390 O SER A 28 -13.582 2.477 -0.269 1.00 1.46 O ATOM 391 CB SER A 28 -12.223 4.327 1.224 1.00 2.09 C ATOM 392 OG SER A 28 -11.658 5.508 1.775 1.00 2.46 O ATOM 0 H SER A 28 -13.392 5.431 -1.266 1.00 0.83 H new ATOM 0 HA SER A 28 -10.895 4.158 -0.469 1.00 1.35 H new ATOM 0 HB2 SER A 28 -13.296 4.310 1.414 1.00 2.09 H new ATOM 0 HB3 SER A 28 -11.798 3.452 1.716 1.00 2.09 H new ATOM 0 HG SER A 28 -11.837 5.538 2.738 1.00 2.46 H new ATOM 398 N THR A 29 -12.185 2.564 -2.016 1.00 1.02 N ATOM 399 CA THR A 29 -12.710 1.344 -2.596 1.00 1.07 C ATOM 400 C THR A 29 -11.596 0.466 -3.147 1.00 1.17 C ATOM 401 O THR A 29 -11.393 -0.656 -2.681 1.00 2.00 O ATOM 402 CB THR A 29 -13.741 1.641 -3.697 1.00 1.24 C ATOM 403 OG1 THR A 29 -14.715 2.574 -3.206 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.440 0.369 -4.135 1.00 1.64 C ATOM 0 H THR A 29 -11.456 3.021 -2.564 1.00 1.02 H new ATOM 0 HA THR A 29 -13.211 0.802 -1.794 1.00 1.07 H new ATOM 0 HB THR A 29 -13.219 2.067 -4.554 1.00 1.24 H new ATOM 0 HG1 THR A 29 -15.370 2.763 -3.910 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.165 0.602 -4.915 1.00 1.64 H new ATOM 0 HG22 THR A 29 -13.704 -0.335 -4.523 1.00 1.64 H new ATOM 0 HG23 THR A 29 -14.954 -0.076 -3.283 1.00 1.64 H new ATOM 412 N GLY A 30 -10.867 0.997 -4.111 1.00 0.96 N ATOM 413 CA GLY A 30 -9.803 0.242 -4.747 1.00 1.02 C ATOM 414 C GLY A 30 -10.109 -0.058 -6.199 1.00 1.05 C ATOM 415 O GLY A 30 -11.250 0.094 -6.638 1.00 1.39 O ATOM 0 H GLY A 30 -10.991 1.944 -4.470 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -8.871 0.804 -4.682 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -9.650 -0.693 -4.208 1.00 1.02 H new ATOM 419 N GLU A 31 -9.095 -0.447 -6.957 1.00 1.00 N ATOM 420 CA GLU A 31 -9.289 -0.787 -8.360 1.00 1.18 C ATOM 421 C GLU A 31 -9.332 -2.295 -8.588 1.00 0.94 C ATOM 422 O GLU A 31 -10.162 -2.785 -9.351 1.00 1.04 O ATOM 423 CB GLU A 31 -8.206 -0.157 -9.236 1.00 1.63 C ATOM 424 CG GLU A 31 -8.346 1.349 -9.383 1.00 2.14 C ATOM 425 CD GLU A 31 -7.668 1.865 -10.633 1.00 2.60 C ATOM 426 OE1 GLU A 31 -6.764 2.716 -10.506 1.00 2.90 O ATOM 427 OE2 GLU A 31 -8.017 1.418 -11.742 1.00 3.06 O ATOM 0 H GLU A 31 -8.134 -0.535 -6.627 1.00 1.00 H new ATOM 0 HA GLU A 31 -10.258 -0.379 -8.647 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -7.228 -0.383 -8.811 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -8.237 -0.615 -10.225 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -9.403 1.613 -9.409 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -7.916 1.839 -8.509 1.00 2.14 H new ATOM 434 N GLU A 32 -8.446 -3.031 -7.929 1.00 0.85 N ATOM 435 CA GLU A 32 -8.342 -4.465 -8.165 1.00 1.01 C ATOM 436 C GLU A 32 -9.384 -5.236 -7.370 1.00 1.08 C ATOM 437 O GLU A 32 -10.170 -5.998 -7.934 1.00 1.36 O ATOM 438 CB GLU A 32 -6.938 -4.969 -7.836 1.00 1.26 C ATOM 439 CG GLU A 32 -5.886 -4.540 -8.845 1.00 1.66 C ATOM 440 CD GLU A 32 -4.522 -5.121 -8.539 1.00 1.90 C ATOM 441 OE1 GLU A 32 -4.347 -6.352 -8.671 1.00 2.09 O ATOM 442 OE2 GLU A 32 -3.616 -4.355 -8.172 1.00 2.44 O ATOM 0 H GLU A 32 -7.796 -2.664 -7.234 1.00 0.85 H new ATOM 0 HA GLU A 32 -8.533 -4.638 -9.224 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.652 -4.605 -6.849 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -6.955 -6.058 -7.782 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -6.195 -4.852 -9.843 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -5.820 -3.452 -8.857 1.00 1.66 H new ATOM 603 N GLN A 44 -12.866 -0.706 5.192 1.00 0.64 N ATOM 604 CA GLN A 44 -11.594 -0.390 4.564 1.00 0.45 C ATOM 605 C GLN A 44 -11.160 1.034 4.875 1.00 0.42 C ATOM 606 O GLN A 44 -11.939 1.978 4.761 1.00 0.57 O ATOM 607 CB GLN A 44 -11.651 -0.562 3.052 1.00 0.42 C ATOM 608 CG GLN A 44 -12.241 -1.887 2.598 1.00 0.57 C ATOM 609 CD GLN A 44 -12.036 -2.155 1.116 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.931 -3.305 0.693 1.00 1.40 O ATOM 611 NE2 GLN A 44 -11.984 -1.100 0.314 1.00 1.18 N ATOM 0 HA GLN A 44 -10.868 -1.091 4.976 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.241 0.250 2.627 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.643 -0.469 2.649 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.789 -2.695 3.173 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.308 -1.897 2.819 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -12.075 -0.161 0.701 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -11.853 -1.228 -0.689 1.00 1.18 H new ATOM 620 N VAL A 45 -9.908 1.171 5.246 1.00 0.33 N ATOM 621 CA VAL A 45 -9.338 2.462 5.579 1.00 0.36 C ATOM 622 C VAL A 45 -8.328 2.853 4.519 1.00 0.27 C ATOM 623 O VAL A 45 -7.372 2.124 4.255 1.00 0.33 O ATOM 624 CB VAL A 45 -8.662 2.459 6.967 1.00 0.48 C ATOM 625 CG1 VAL A 45 -8.030 3.811 7.268 1.00 1.19 C ATOM 626 CG2 VAL A 45 -9.665 2.093 8.050 1.00 1.37 C ATOM 0 H VAL A 45 -9.254 0.393 5.326 1.00 0.33 H new ATOM 0 HA VAL A 45 -10.151 3.187 5.613 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.872 1.708 6.955 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -7.561 3.782 8.251 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.277 4.037 6.513 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -8.799 4.583 7.256 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -9.170 2.096 9.021 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -10.477 2.820 8.055 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -10.068 1.100 7.852 1.00 1.37 H new ATOM 636 N ALA A 46 -8.566 3.987 3.897 1.00 0.24 N ATOM 637 CA ALA A 46 -7.717 4.458 2.823 1.00 0.21 C ATOM 638 C ALA A 46 -6.878 5.642 3.265 1.00 0.20 C ATOM 639 O ALA A 46 -7.379 6.581 3.887 1.00 0.30 O ATOM 640 CB ALA A 46 -8.557 4.828 1.616 1.00 0.29 C ATOM 0 H ALA A 46 -9.347 4.605 4.118 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.038 3.650 2.549 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -7.907 5.181 0.815 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.110 3.953 1.276 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.258 5.617 1.889 1.00 0.29 H new ATOM 646 N ILE A 47 -5.597 5.582 2.948 1.00 0.21 N ATOM 647 CA ILE A 47 -4.681 6.675 3.221 1.00 0.21 C ATOM 648 C ILE A 47 -3.967 7.085 1.944 1.00 0.20 C ATOM 649 O ILE A 47 -3.831 6.283 1.015 1.00 0.21 O ATOM 650 CB ILE A 47 -3.634 6.302 4.292 1.00 0.21 C ATOM 651 CG1 ILE A 47 -2.996 4.946 3.979 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.266 6.301 5.676 1.00 0.23 C ATOM 653 CD1 ILE A 47 -1.937 4.534 4.977 1.00 0.23 C ATOM 0 H ILE A 47 -5.163 4.777 2.496 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.274 7.505 3.604 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.845 7.054 4.279 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.775 4.184 3.952 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.552 4.983 2.984 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.514 6.036 6.419 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.660 7.293 5.897 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.077 5.573 5.705 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.528 3.564 4.694 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.138 5.276 4.987 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.380 4.465 5.970 1.00 0.23 H new ATOM 665 N GLN A 48 -3.541 8.341 1.891 1.00 0.24 N ATOM 666 CA GLN A 48 -2.820 8.845 0.732 1.00 0.25 C ATOM 667 C GLN A 48 -1.471 8.170 0.648 1.00 0.22 C ATOM 668 O GLN A 48 -0.814 7.953 1.662 1.00 0.36 O ATOM 669 CB GLN A 48 -2.628 10.362 0.794 1.00 0.36 C ATOM 670 CG GLN A 48 -3.545 11.149 -0.137 1.00 0.47 C ATOM 671 CD GLN A 48 -4.988 11.177 0.310 1.00 1.43 C ATOM 672 OE1 GLN A 48 -5.205 11.027 1.601 1.00 2.38 O flip ATOM 673 NE2 GLN A 48 -5.901 11.309 -0.505 1.00 1.78 N flip ATOM 0 H GLN A 48 -3.682 9.025 2.634 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.413 8.620 -0.154 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -2.796 10.696 1.818 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.592 10.596 0.548 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.178 12.173 -0.214 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -3.492 10.716 -1.136 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -5.688 11.422 -1.496 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -6.871 11.305 -0.189 1.00 1.78 H new ATOM 682 N CYS A 49 -1.065 7.834 -0.551 1.00 0.26 N ATOM 683 CA CYS A 49 0.166 7.102 -0.742 1.00 0.25 C ATOM 684 C CYS A 49 0.931 7.639 -1.937 1.00 0.28 C ATOM 685 O CYS A 49 0.352 8.257 -2.833 1.00 0.32 O ATOM 686 CB CYS A 49 -0.136 5.620 -0.929 1.00 0.25 C ATOM 687 SG CYS A 49 1.178 4.525 -0.328 1.00 1.15 S ATOM 0 H CYS A 49 -1.568 8.055 -1.411 1.00 0.26 H new ATOM 0 HA CYS A 49 0.788 7.229 0.144 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -1.063 5.379 -0.409 1.00 0.25 H new ATOM 0 HB3 CYS A 49 -0.304 5.424 -1.988 1.00 0.25 H new ATOM 692 N THR A 50 2.232 7.415 -1.939 1.00 0.28 N ATOM 693 CA THR A 50 3.088 7.896 -3.004 1.00 0.36 C ATOM 694 C THR A 50 4.399 7.130 -2.996 1.00 0.38 C ATOM 695 O THR A 50 4.946 6.820 -1.937 1.00 0.45 O ATOM 696 CB THR A 50 3.349 9.416 -2.881 1.00 0.46 C ATOM 697 OG1 THR A 50 4.151 9.876 -3.977 1.00 0.60 O ATOM 698 CG2 THR A 50 4.037 9.745 -1.569 1.00 0.54 C ATOM 0 H THR A 50 2.721 6.898 -1.208 1.00 0.28 H new ATOM 0 HA THR A 50 2.578 7.727 -3.952 1.00 0.36 H new ATOM 0 HB THR A 50 2.385 9.924 -2.905 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.307 10.839 -3.887 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.209 10.820 -1.508 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.405 9.431 -0.738 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.992 9.221 -1.517 1.00 0.54 H new ATOM 706 N GLN A 51 4.899 6.807 -4.170 1.00 0.39 N ATOM 707 CA GLN A 51 6.105 6.032 -4.266 1.00 0.42 C ATOM 708 C GLN A 51 7.216 6.855 -4.894 1.00 0.42 C ATOM 709 O GLN A 51 6.961 7.827 -5.607 1.00 0.58 O ATOM 710 CB GLN A 51 5.849 4.765 -5.076 1.00 0.57 C ATOM 711 CG GLN A 51 6.934 3.720 -4.899 1.00 0.66 C ATOM 712 CD GLN A 51 7.120 3.329 -3.456 1.00 1.01 C ATOM 713 OE1 GLN A 51 6.174 3.347 -2.664 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.342 2.977 -3.100 1.00 0.74 N ATOM 0 H GLN A 51 4.486 7.071 -5.065 1.00 0.39 H new ATOM 0 HA GLN A 51 6.420 5.745 -3.263 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.890 4.339 -4.781 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.771 5.025 -6.132 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.682 2.835 -5.484 1.00 0.66 H new ATOM 0 HG3 GLN A 51 7.874 4.105 -5.293 1.00 0.66 H new ATOM 0 HE21 GLN A 51 9.094 2.977 -3.789 1.00 0.74 H new ATOM 0 HE22 GLN A 51 8.534 2.705 -2.136 1.00 0.74 H new ATOM 723 N ILE A 52 8.438 6.477 -4.584 1.00 0.43 N ATOM 724 CA ILE A 52 9.619 7.094 -5.147 1.00 0.50 C ATOM 725 C ILE A 52 9.959 6.403 -6.468 1.00 0.56 C ATOM 726 O ILE A 52 9.578 5.250 -6.652 1.00 0.65 O ATOM 727 CB ILE A 52 10.784 6.960 -4.132 1.00 0.63 C ATOM 728 CG1 ILE A 52 10.450 7.731 -2.861 1.00 0.72 C ATOM 729 CG2 ILE A 52 12.111 7.425 -4.709 1.00 0.85 C ATOM 730 CD1 ILE A 52 10.203 9.197 -3.090 1.00 0.95 C ATOM 0 H ILE A 52 8.641 5.724 -3.926 1.00 0.43 H new ATOM 0 HA ILE A 52 9.447 8.152 -5.344 1.00 0.50 H new ATOM 0 HB ILE A 52 10.899 5.902 -3.897 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.566 7.290 -2.401 1.00 0.72 H new ATOM 0 HG13 ILE A 52 11.269 7.616 -2.151 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.894 7.311 -3.959 1.00 0.85 H new ATOM 0 HG22 ILE A 52 12.357 6.825 -5.585 1.00 0.85 H new ATOM 0 HG23 ILE A 52 12.035 8.473 -4.997 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.971 9.680 -2.141 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.094 9.653 -3.521 1.00 0.95 H new ATOM 0 HD13 ILE A 52 9.364 9.322 -3.775 1.00 0.95 H new ATOM 742 N PRO A 53 10.585 7.120 -7.434 1.00 0.66 N ATOM 743 CA PRO A 53 11.111 6.521 -8.660 1.00 0.80 C ATOM 744 C PRO A 53 11.665 5.118 -8.415 1.00 0.82 C ATOM 745 O PRO A 53 12.686 4.948 -7.741 1.00 0.87 O ATOM 746 CB PRO A 53 12.232 7.481 -9.055 1.00 0.95 C ATOM 747 CG PRO A 53 11.882 8.806 -8.443 1.00 0.85 C ATOM 748 CD PRO A 53 10.770 8.578 -7.441 1.00 0.70 C ATOM 0 HA PRO A 53 10.347 6.397 -9.428 1.00 0.80 H new ATOM 0 HB2 PRO A 53 13.196 7.126 -8.690 1.00 0.95 H new ATOM 0 HB3 PRO A 53 12.312 7.562 -10.139 1.00 0.95 H new ATOM 0 HG2 PRO A 53 12.753 9.242 -7.953 1.00 0.85 H new ATOM 0 HG3 PRO A 53 11.564 9.509 -9.213 1.00 0.85 H new ATOM 0 HD2 PRO A 53 11.042 8.950 -6.453 1.00 0.70 H new ATOM 0 HD3 PRO A 53 9.856 9.094 -7.736 1.00 0.70 H new ATOM 756 N LEU A 54 10.974 4.131 -8.977 1.00 0.90 N ATOM 757 CA LEU A 54 11.191 2.726 -8.648 1.00 0.96 C ATOM 758 C LEU A 54 12.614 2.262 -8.935 1.00 0.90 C ATOM 759 O LEU A 54 13.179 2.535 -9.998 1.00 1.03 O ATOM 760 CB LEU A 54 10.200 1.851 -9.418 1.00 1.27 C ATOM 761 CG LEU A 54 8.722 2.095 -9.101 1.00 1.07 C ATOM 762 CD1 LEU A 54 7.836 1.262 -10.011 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.427 1.780 -7.643 1.00 1.08 C ATOM 0 H LEU A 54 10.246 4.283 -9.675 1.00 0.90 H new ATOM 0 HA LEU A 54 11.030 2.625 -7.575 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.356 2.009 -10.485 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.430 0.805 -9.213 1.00 1.27 H new ATOM 0 HG LEU A 54 8.506 3.149 -9.277 1.00 1.07 H new ATOM 0 HD11 LEU A 54 6.789 1.449 -9.771 1.00 1.67 H new ATOM 0 HD12 LEU A 54 8.024 1.534 -11.050 1.00 1.67 H new ATOM 0 HD13 LEU A 54 8.058 0.205 -9.867 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.372 1.960 -7.438 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.663 0.735 -7.442 1.00 1.08 H new ATOM 0 HD23 LEU A 54 9.035 2.419 -7.002 1.00 1.08 H new ATOM 775 N LEU A 55 13.183 1.567 -7.966 1.00 0.88 N ATOM 776 CA LEU A 55 14.473 0.929 -8.124 1.00 0.96 C ATOM 777 C LEU A 55 14.278 -0.578 -8.234 1.00 0.93 C ATOM 778 O LEU A 55 13.669 -1.201 -7.361 1.00 0.85 O ATOM 779 CB LEU A 55 15.378 1.263 -6.939 1.00 1.08 C ATOM 780 CG LEU A 55 15.763 2.738 -6.803 1.00 1.26 C ATOM 781 CD1 LEU A 55 16.589 2.958 -5.547 1.00 1.52 C ATOM 782 CD2 LEU A 55 16.530 3.208 -8.029 1.00 1.58 C ATOM 0 H LEU A 55 12.761 1.430 -7.047 1.00 0.88 H new ATOM 0 HA LEU A 55 14.950 1.298 -9.032 1.00 0.96 H new ATOM 0 HB2 LEU A 55 14.879 0.949 -6.022 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.291 0.673 -7.023 1.00 1.08 H new ATOM 0 HG LEU A 55 14.847 3.324 -6.724 1.00 1.26 H new ATOM 0 HD11 LEU A 55 16.854 4.012 -5.466 1.00 1.52 H new ATOM 0 HD12 LEU A 55 16.009 2.662 -4.673 1.00 1.52 H new ATOM 0 HD13 LEU A 55 17.498 2.358 -5.599 1.00 1.52 H new ATOM 0 HD21 LEU A 55 16.794 4.259 -7.912 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.438 2.616 -8.139 1.00 1.58 H new ATOM 0 HD23 LEU A 55 15.908 3.087 -8.916 1.00 1.58 H new ATOM 794 N ILE A 56 14.789 -1.157 -9.308 1.00 1.10 N ATOM 795 CA ILE A 56 14.570 -2.570 -9.598 1.00 1.16 C ATOM 796 C ILE A 56 15.204 -3.448 -8.527 1.00 1.07 C ATOM 797 O ILE A 56 16.370 -3.269 -8.170 1.00 1.14 O ATOM 798 CB ILE A 56 15.149 -2.969 -10.968 1.00 1.45 C ATOM 799 CG1 ILE A 56 14.803 -1.919 -12.029 1.00 1.68 C ATOM 800 CG2 ILE A 56 14.621 -4.335 -11.386 1.00 1.58 C ATOM 801 CD1 ILE A 56 15.469 -2.164 -13.366 1.00 2.11 C ATOM 0 H ILE A 56 15.361 -0.670 -9.998 1.00 1.10 H new ATOM 0 HA ILE A 56 13.491 -2.722 -9.612 1.00 1.16 H new ATOM 0 HB ILE A 56 16.234 -3.023 -10.880 1.00 1.45 H new ATOM 0 HG12 ILE A 56 13.722 -1.899 -12.169 1.00 1.68 H new ATOM 0 HG13 ILE A 56 15.095 -0.935 -11.662 1.00 1.68 H new ATOM 0 HG21 ILE A 56 15.038 -4.605 -12.356 1.00 1.58 H new ATOM 0 HG22 ILE A 56 14.913 -5.080 -10.646 1.00 1.58 H new ATOM 0 HG23 ILE A 56 13.534 -4.299 -11.456 1.00 1.58 H new ATOM 0 HD11 ILE A 56 15.178 -1.381 -14.066 1.00 2.11 H new ATOM 0 HD12 ILE A 56 16.552 -2.154 -13.240 1.00 2.11 H new ATOM 0 HD13 ILE A 56 15.158 -3.133 -13.755 1.00 2.11 H new ATOM 813 N GLY A 57 14.417 -4.387 -8.022 1.00 1.03 N ATOM 814 CA GLY A 57 14.890 -5.310 -7.005 1.00 1.00 C ATOM 815 C GLY A 57 15.126 -4.648 -5.659 1.00 0.86 C ATOM 816 O GLY A 57 15.784 -5.219 -4.788 1.00 0.90 O ATOM 0 H GLY A 57 13.446 -4.528 -8.302 1.00 1.03 H new ATOM 0 HA2 GLY A 57 14.162 -6.112 -6.885 1.00 1.00 H new ATOM 0 HA3 GLY A 57 15.818 -5.770 -7.344 1.00 1.00 H new ATOM 820 N ILE A 58 14.599 -3.446 -5.482 1.00 0.77 N ATOM 821 CA ILE A 58 14.772 -2.727 -4.234 1.00 0.66 C ATOM 822 C ILE A 58 13.540 -2.840 -3.345 1.00 0.61 C ATOM 823 O ILE A 58 12.419 -3.031 -3.815 1.00 0.69 O ATOM 824 CB ILE A 58 15.144 -1.244 -4.484 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.625 -1.020 -4.176 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.278 -0.286 -3.674 1.00 0.60 C ATOM 827 CD1 ILE A 58 16.981 -1.218 -2.714 1.00 0.71 C ATOM 0 H ILE A 58 14.050 -2.951 -6.185 1.00 0.77 H new ATOM 0 HA ILE A 58 15.602 -3.195 -3.705 1.00 0.66 H new ATOM 0 HB ILE A 58 14.955 -1.030 -5.536 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.220 -1.703 -4.781 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.900 -0.008 -4.474 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.577 0.741 -3.884 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.232 -0.422 -3.947 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.405 -0.491 -2.611 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.047 -1.042 -2.572 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.413 -0.516 -2.103 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.739 -2.238 -2.415 1.00 0.71 H new ATOM 839 N ALA A 59 13.789 -2.734 -2.054 1.00 0.57 N ATOM 840 CA ALA A 59 12.767 -2.846 -1.034 1.00 0.59 C ATOM 841 C ALA A 59 12.140 -1.485 -0.726 1.00 0.49 C ATOM 842 O ALA A 59 12.805 -0.448 -0.749 1.00 0.50 O ATOM 843 CB ALA A 59 13.404 -3.420 0.209 1.00 0.68 C ATOM 0 H ALA A 59 14.723 -2.565 -1.680 1.00 0.57 H new ATOM 0 HA ALA A 59 11.969 -3.498 -1.390 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.652 -3.514 0.993 1.00 0.68 H new ATOM 0 HB2 ALA A 59 13.819 -4.403 -0.015 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.201 -2.758 0.548 1.00 0.68 H new ATOM 849 N ILE A 60 10.846 -1.534 -0.416 1.00 0.46 N ATOM 850 CA ILE A 60 10.009 -0.357 -0.164 1.00 0.42 C ATOM 851 C ILE A 60 10.593 0.569 0.904 1.00 0.40 C ATOM 852 O ILE A 60 10.460 1.787 0.813 1.00 0.39 O ATOM 853 CB ILE A 60 8.601 -0.819 0.288 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.644 0.363 0.413 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.677 -1.583 1.604 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.238 0.933 -0.920 1.00 0.69 C ATOM 0 H ILE A 60 10.336 -2.413 -0.330 1.00 0.46 H new ATOM 0 HA ILE A 60 9.959 0.207 -1.095 1.00 0.42 H new ATOM 0 HB ILE A 60 8.212 -1.489 -0.479 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.752 0.046 0.954 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.116 1.145 1.008 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.676 -1.897 1.901 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.311 -2.461 1.479 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.099 -0.938 2.375 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.557 1.770 -0.766 1.00 0.69 H new ATOM 0 HD12 ILE A 60 8.124 1.279 -1.453 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.738 0.163 -1.508 1.00 0.69 H new ATOM 868 N GLU A 61 11.255 -0.008 1.899 1.00 0.49 N ATOM 869 CA GLU A 61 11.715 0.763 3.045 1.00 0.60 C ATOM 870 C GLU A 61 13.093 1.365 2.801 1.00 0.58 C ATOM 871 O GLU A 61 13.602 2.125 3.624 1.00 0.71 O ATOM 872 CB GLU A 61 11.696 -0.094 4.324 1.00 0.83 C ATOM 873 CG GLU A 61 12.289 -1.496 4.189 1.00 0.73 C ATOM 874 CD GLU A 61 13.765 -1.497 3.851 1.00 1.47 C ATOM 875 OE1 GLU A 61 14.112 -1.698 2.669 1.00 2.20 O ATOM 876 OE2 GLU A 61 14.584 -1.289 4.764 1.00 1.82 O ATOM 0 H GLU A 61 11.484 -1.001 1.935 1.00 0.49 H new ATOM 0 HA GLU A 61 11.023 1.593 3.185 1.00 0.60 H new ATOM 0 HB2 GLU A 61 12.241 0.438 5.104 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.664 -0.187 4.662 1.00 0.83 H new ATOM 0 HG2 GLU A 61 12.138 -2.037 5.123 1.00 0.73 H new ATOM 0 HG3 GLU A 61 11.747 -2.038 3.415 1.00 0.73 H new ATOM 883 N ASP A 62 13.690 1.028 1.669 1.00 0.54 N ATOM 884 CA ASP A 62 14.990 1.571 1.311 1.00 0.60 C ATOM 885 C ASP A 62 14.851 2.535 0.143 1.00 0.51 C ATOM 886 O ASP A 62 15.643 3.464 -0.012 1.00 0.65 O ATOM 887 CB ASP A 62 15.963 0.447 0.950 1.00 0.75 C ATOM 888 CG ASP A 62 17.405 0.915 0.933 1.00 1.16 C ATOM 889 OD1 ASP A 62 18.028 0.954 2.015 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.928 1.236 -0.156 1.00 1.98 O ATOM 0 H ASP A 62 13.296 0.383 0.984 1.00 0.54 H new ATOM 0 HA ASP A 62 15.387 2.110 2.171 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.856 -0.367 1.667 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.703 0.045 -0.029 1.00 0.75 H new ATOM 895 N GLU A 63 13.824 2.312 -0.672 1.00 0.40 N ATOM 896 CA GLU A 63 13.578 3.134 -1.846 1.00 0.40 C ATOM 897 C GLU A 63 13.084 4.519 -1.447 1.00 0.34 C ATOM 898 O GLU A 63 13.472 5.526 -2.041 1.00 0.42 O ATOM 899 CB GLU A 63 12.538 2.466 -2.746 1.00 0.43 C ATOM 900 CG GLU A 63 12.457 3.077 -4.130 1.00 0.64 C ATOM 901 CD GLU A 63 11.386 2.438 -4.983 1.00 1.40 C ATOM 902 OE1 GLU A 63 10.221 2.892 -4.923 1.00 2.09 O ATOM 903 OE2 GLU A 63 11.709 1.491 -5.722 1.00 1.68 O ATOM 0 H GLU A 63 13.146 1.562 -0.537 1.00 0.40 H new ATOM 0 HA GLU A 63 14.518 3.239 -2.387 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.776 1.406 -2.838 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.560 2.533 -2.270 1.00 0.43 H new ATOM 0 HG2 GLU A 63 12.257 4.145 -4.041 1.00 0.64 H new ATOM 0 HG3 GLU A 63 13.422 2.974 -4.626 1.00 0.64 H new ATOM 910 N CYS A 64 12.234 4.567 -0.434 1.00 0.29 N ATOM 911 CA CYS A 64 11.614 5.817 -0.036 1.00 0.32 C ATOM 912 C CYS A 64 11.951 6.142 1.419 1.00 0.40 C ATOM 913 O CYS A 64 12.495 5.305 2.138 1.00 0.60 O ATOM 914 CB CYS A 64 10.098 5.722 -0.221 1.00 0.33 C ATOM 915 SG CYS A 64 9.215 4.991 1.196 1.00 0.47 S ATOM 0 H CYS A 64 11.960 3.759 0.124 1.00 0.29 H new ATOM 0 HA CYS A 64 12.001 6.619 -0.664 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.703 6.721 -0.405 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.889 5.128 -1.111 1.00 0.33 H new ATOM 920 N LYS A 65 11.637 7.361 1.843 1.00 0.43 N ATOM 921 CA LYS A 65 11.890 7.795 3.212 1.00 0.51 C ATOM 922 C LYS A 65 10.575 8.047 3.943 1.00 0.45 C ATOM 923 O LYS A 65 10.509 8.850 4.875 1.00 0.60 O ATOM 924 CB LYS A 65 12.747 9.065 3.221 1.00 0.69 C ATOM 925 CG LYS A 65 14.106 8.889 2.564 1.00 1.41 C ATOM 926 CD LYS A 65 14.985 7.926 3.344 1.00 1.33 C ATOM 927 CE LYS A 65 16.277 7.626 2.603 1.00 1.77 C ATOM 928 NZ LYS A 65 17.088 8.850 2.371 1.00 2.32 N ATOM 0 H LYS A 65 11.203 8.071 1.253 1.00 0.43 H new ATOM 0 HA LYS A 65 12.432 7.003 3.728 1.00 0.51 H new ATOM 0 HB2 LYS A 65 12.206 9.861 2.709 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.891 9.389 4.252 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.974 8.519 1.547 1.00 1.41 H new ATOM 0 HG3 LYS A 65 14.603 9.856 2.489 1.00 1.41 H new ATOM 0 HD2 LYS A 65 15.215 8.352 4.321 1.00 1.33 H new ATOM 0 HD3 LYS A 65 14.442 6.998 3.521 1.00 1.33 H new ATOM 0 HE2 LYS A 65 16.863 6.907 3.175 1.00 1.77 H new ATOM 0 HE3 LYS A 65 16.045 7.159 1.646 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 18.010 8.585 1.970 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 16.589 9.476 1.707 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 17.232 9.347 3.273 1.00 2.32 H new ATOM 942 N ASN A 66 9.534 7.356 3.505 1.00 0.35 N ATOM 943 CA ASN A 66 8.211 7.471 4.108 1.00 0.30 C ATOM 944 C ASN A 66 7.893 6.219 4.918 1.00 0.29 C ATOM 945 O ASN A 66 8.797 5.471 5.293 1.00 0.41 O ATOM 946 CB ASN A 66 7.142 7.686 3.029 1.00 0.36 C ATOM 947 CG ASN A 66 6.953 9.144 2.660 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.146 9.846 3.268 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.681 9.612 1.658 1.00 1.02 N ATOM 0 H ASN A 66 9.580 6.701 2.724 1.00 0.35 H new ATOM 0 HA ASN A 66 8.209 8.334 4.773 1.00 0.30 H new ATOM 0 HB2 ASN A 66 7.418 7.124 2.136 1.00 0.36 H new ATOM 0 HB3 ASN A 66 6.193 7.281 3.380 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.583 10.585 1.367 1.00 1.02 H new ATOM 0 HD22 ASN A 66 8.340 9.000 1.177 1.00 1.02 H new ATOM 956 N THR A 67 6.617 5.995 5.197 1.00 0.28 N ATOM 957 CA THR A 67 6.214 4.826 5.950 1.00 0.27 C ATOM 958 C THR A 67 5.772 3.711 5.009 1.00 0.25 C ATOM 959 O THR A 67 4.915 3.911 4.148 1.00 0.26 O ATOM 960 CB THR A 67 5.073 5.148 6.933 1.00 0.29 C ATOM 961 OG1 THR A 67 5.386 6.340 7.669 1.00 0.34 O ATOM 962 CG2 THR A 67 4.867 3.987 7.897 1.00 0.31 C ATOM 0 H THR A 67 5.851 6.605 4.914 1.00 0.28 H new ATOM 0 HA THR A 67 7.080 4.498 6.525 1.00 0.27 H new ATOM 0 HB THR A 67 4.155 5.305 6.367 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.656 6.541 8.291 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.058 4.226 8.587 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.611 3.089 7.335 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.784 3.814 8.460 1.00 0.31 H new ATOM 970 N PRO A 68 6.360 2.526 5.168 1.00 0.28 N ATOM 971 CA PRO A 68 6.031 1.366 4.360 1.00 0.30 C ATOM 972 C PRO A 68 4.784 0.671 4.885 1.00 0.25 C ATOM 973 O PRO A 68 4.671 0.389 6.079 1.00 0.28 O ATOM 974 CB PRO A 68 7.261 0.475 4.514 1.00 0.38 C ATOM 975 CG PRO A 68 7.832 0.824 5.851 1.00 0.45 C ATOM 976 CD PRO A 68 7.374 2.221 6.185 1.00 0.38 C ATOM 0 HA PRO A 68 5.811 1.616 3.322 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.992 -0.580 4.464 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.982 0.658 3.718 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.494 0.118 6.609 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.921 0.772 5.829 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.956 2.272 7.190 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.201 2.930 6.147 1.00 0.38 H new ATOM 984 N THR A 69 3.835 0.417 4.007 1.00 0.23 N ATOM 985 CA THR A 69 2.593 -0.200 4.418 1.00 0.21 C ATOM 986 C THR A 69 2.229 -1.359 3.496 1.00 0.23 C ATOM 987 O THR A 69 2.699 -1.429 2.361 1.00 0.29 O ATOM 988 CB THR A 69 1.439 0.824 4.418 1.00 0.24 C ATOM 989 OG1 THR A 69 1.220 1.308 3.092 1.00 0.31 O ATOM 990 CG2 THR A 69 1.732 2.003 5.336 1.00 0.30 C ATOM 0 H THR A 69 3.900 0.627 3.011 1.00 0.23 H new ATOM 0 HA THR A 69 2.739 -0.576 5.431 1.00 0.21 H new ATOM 0 HB THR A 69 0.548 0.315 4.786 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.076 1.574 2.695 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.896 2.702 5.309 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.872 1.644 6.356 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.638 2.508 5.002 1.00 0.30 H new ATOM 998 N CYS A 70 1.414 -2.270 4.002 1.00 0.23 N ATOM 999 CA CYS A 70 0.884 -3.363 3.202 1.00 0.27 C ATOM 1000 C CYS A 70 -0.584 -3.106 2.893 1.00 0.22 C ATOM 1001 O CYS A 70 -1.447 -3.290 3.754 1.00 0.27 O ATOM 1002 CB CYS A 70 1.033 -4.695 3.942 1.00 0.38 C ATOM 1003 SG CYS A 70 0.283 -6.116 3.076 1.00 1.26 S ATOM 0 H CYS A 70 1.102 -2.274 4.973 1.00 0.23 H new ATOM 0 HA CYS A 70 1.448 -3.419 2.271 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.093 -4.896 4.097 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.579 -4.603 4.928 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.861 -2.662 1.679 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.223 -2.352 1.270 1.00 0.19 C ATOM 1010 C CYS A 71 -2.908 -3.590 0.712 1.00 0.21 C ATOM 1011 O CYS A 71 -2.338 -4.317 -0.101 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.221 -1.242 0.220 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.316 0.256 0.725 1.00 0.29 S ATOM 0 H CYS A 71 -0.159 -2.507 0.956 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.775 -2.011 2.146 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.781 -1.627 -0.700 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.252 -0.971 -0.009 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.136 -3.821 1.155 1.00 0.22 N ATOM 1019 CA GLU A 72 -4.914 -4.953 0.718 1.00 0.24 C ATOM 1020 C GLU A 72 -5.462 -4.703 -0.688 1.00 0.25 C ATOM 1021 O GLU A 72 -5.752 -5.640 -1.435 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.018 -5.211 1.748 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.256 -5.857 1.184 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.129 -6.466 2.261 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.047 -5.781 2.755 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -7.888 -7.634 2.628 1.00 1.37 O ATOM 0 H GLU A 72 -4.614 -3.223 1.829 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.295 -5.848 0.653 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -5.619 -5.847 2.539 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.296 -4.264 2.210 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.831 -5.114 0.631 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -6.967 -6.631 0.473 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.573 -3.429 -1.039 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.886 -3.013 -2.405 1.00 0.24 C ATOM 1035 C ASP A 73 -5.432 -1.579 -2.591 1.00 0.22 C ATOM 1036 O ASP A 73 -5.060 -0.918 -1.621 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.383 -3.124 -2.714 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.655 -3.054 -4.210 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.789 -2.692 -4.591 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.743 -3.343 -5.008 1.00 1.03 O ATOM 0 H ASP A 73 -5.449 -2.654 -0.388 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.364 -3.678 -3.093 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.768 -4.064 -2.318 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.920 -2.321 -2.208 1.00 0.29 H new ATOM 1045 N VAL A 74 -5.434 -1.105 -3.823 1.00 0.28 N ATOM 1046 CA VAL A 74 -5.069 0.271 -4.104 1.00 0.30 C ATOM 1047 C VAL A 74 -6.042 0.890 -5.098 1.00 0.43 C ATOM 1048 O VAL A 74 -6.570 0.203 -5.975 1.00 0.68 O ATOM 1049 CB VAL A 74 -3.632 0.388 -4.664 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.618 -0.164 -3.675 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -3.504 -0.318 -6.005 1.00 1.07 C ATOM 0 H VAL A 74 -5.685 -1.653 -4.646 1.00 0.28 H new ATOM 0 HA VAL A 74 -5.113 0.809 -3.157 1.00 0.30 H new ATOM 0 HB VAL A 74 -3.423 1.447 -4.818 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.615 -0.070 -4.092 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.677 0.397 -2.742 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.834 -1.215 -3.481 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -2.483 -0.218 -6.373 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -3.745 -1.374 -5.885 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -4.193 0.132 -6.720 1.00 1.07 H new ATOM 1061 N GLU A 75 -6.297 2.176 -4.941 1.00 0.33 N ATOM 1062 CA GLU A 75 -7.094 2.913 -5.899 1.00 0.46 C ATOM 1063 C GLU A 75 -6.190 3.914 -6.605 1.00 0.50 C ATOM 1064 O GLU A 75 -5.197 4.372 -6.021 1.00 0.45 O ATOM 1065 CB GLU A 75 -8.272 3.610 -5.216 1.00 0.54 C ATOM 1066 CG GLU A 75 -9.454 3.833 -6.145 1.00 0.98 C ATOM 1067 CD GLU A 75 -10.658 4.426 -5.444 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -11.026 5.580 -5.752 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -11.222 3.750 -4.561 1.00 1.85 O ATOM 0 H GLU A 75 -5.961 2.732 -4.155 1.00 0.33 H new ATOM 0 HA GLU A 75 -7.519 2.227 -6.631 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.595 3.012 -4.364 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.940 4.571 -4.824 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -9.151 4.495 -6.956 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.737 2.883 -6.598 1.00 0.98 H new ATOM 1076 N ASP A 76 -6.512 4.233 -7.857 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.618 5.012 -8.712 1.00 0.65 C ATOM 1078 C ASP A 76 -4.332 4.222 -8.925 1.00 0.67 C ATOM 1079 O ASP A 76 -4.329 2.997 -8.789 1.00 0.69 O ATOM 1080 CB ASP A 76 -5.315 6.398 -8.115 1.00 0.61 C ATOM 1081 CG ASP A 76 -6.506 7.338 -8.167 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -7.334 7.307 -7.234 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.624 8.107 -9.142 1.00 1.15 O ATOM 0 H ASP A 76 -7.389 3.963 -8.303 1.00 0.61 H new ATOM 0 HA ASP A 76 -6.111 5.185 -9.669 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.997 6.280 -7.079 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.481 6.846 -8.655 1.00 0.61 H new ATOM 1088 N ASP A 77 -3.237 4.894 -9.242 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.967 4.195 -9.422 1.00 0.77 C ATOM 1090 C ASP A 77 -1.280 3.960 -8.072 1.00 0.67 C ATOM 1091 O ASP A 77 -0.064 3.778 -7.991 1.00 0.81 O ATOM 1092 CB ASP A 77 -1.045 4.966 -10.371 1.00 0.89 C ATOM 1093 CG ASP A 77 0.106 4.114 -10.873 1.00 1.36 C ATOM 1094 OD1 ASP A 77 -0.152 2.990 -11.357 1.00 1.59 O ATOM 1095 OD2 ASP A 77 1.268 4.565 -10.799 1.00 2.12 O ATOM 0 H ASP A 77 -3.197 5.904 -9.379 1.00 0.70 H new ATOM 0 HA ASP A 77 -2.179 3.225 -9.872 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -1.623 5.329 -11.221 1.00 0.89 H new ATOM 0 HB3 ASP A 77 -0.649 5.842 -9.857 1.00 0.89 H new ATOM 1100 N GLY A 78 -2.071 3.956 -7.008 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.530 3.706 -5.689 1.00 0.44 C ATOM 1102 C GLY A 78 -1.409 4.963 -4.852 1.00 0.33 C ATOM 1103 O GLY A 78 -0.627 5.008 -3.910 1.00 0.35 O ATOM 0 H GLY A 78 -3.077 4.121 -7.036 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -2.168 2.990 -5.170 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.547 3.245 -5.787 1.00 0.44 H new ATOM 1107 N LEU A 79 -2.177 5.990 -5.195 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.185 7.218 -4.406 1.00 0.22 C ATOM 1109 C LEU A 79 -3.160 7.086 -3.251 1.00 0.19 C ATOM 1110 O LEU A 79 -3.118 7.856 -2.295 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.566 8.428 -5.261 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.632 8.740 -6.431 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.109 9.978 -7.170 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.202 8.929 -5.947 1.00 0.94 C ATOM 0 H LEU A 79 -2.797 5.999 -6.005 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.177 7.374 -4.021 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.570 8.268 -5.655 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.613 9.305 -4.615 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.649 7.894 -7.118 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.435 10.188 -8.000 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.115 9.808 -7.554 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -2.120 10.828 -6.487 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.444 9.150 -6.797 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.164 9.756 -5.238 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.140 8.017 -5.459 1.00 0.94 H new ATOM 1126 N VAL A 80 -4.042 6.109 -3.360 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.998 5.809 -2.314 1.00 0.20 C ATOM 1128 C VAL A 80 -4.947 4.321 -2.003 1.00 0.20 C ATOM 1129 O VAL A 80 -5.329 3.494 -2.829 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.428 6.217 -2.731 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.453 5.735 -1.718 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.517 7.726 -2.903 1.00 0.33 C ATOM 0 H VAL A 80 -4.114 5.502 -4.177 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.736 6.382 -1.424 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.652 5.741 -3.686 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.450 6.037 -2.038 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.409 4.648 -1.644 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.236 6.174 -0.744 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.530 8.000 -3.197 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.268 8.215 -1.961 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.817 8.046 -3.674 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.450 3.979 -0.830 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.291 2.584 -0.487 1.00 0.21 C ATOM 1144 C GLY A 81 -5.383 2.091 0.434 1.00 0.20 C ATOM 1145 O GLY A 81 -5.805 2.802 1.344 1.00 0.26 O ATOM 0 H GLY A 81 -4.154 4.638 -0.110 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.290 1.986 -1.398 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.322 2.438 -0.009 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.838 0.872 0.197 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.880 0.269 1.001 1.00 0.17 C ATOM 1151 C ILE A 82 -6.268 -0.635 2.052 1.00 0.17 C ATOM 1152 O ILE A 82 -5.562 -1.591 1.723 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.876 -0.551 0.139 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.891 0.364 -0.549 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.591 -1.601 0.973 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.279 1.274 -1.584 1.00 0.30 C ATOM 0 H ILE A 82 -5.495 0.277 -0.557 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.431 1.079 1.478 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.298 -1.063 -0.630 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.657 -0.249 -1.024 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.391 0.971 0.206 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.282 -2.159 0.341 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.859 -2.285 1.402 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.146 -1.113 1.775 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.057 1.893 -2.030 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.533 1.913 -1.111 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.803 0.674 -2.360 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.524 -0.308 3.310 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.120 -1.151 4.431 1.00 0.21 C ATOM 1170 C ASN A 83 -4.609 -1.335 4.453 1.00 0.22 C ATOM 1171 O ASN A 83 -4.102 -2.455 4.532 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.828 -2.508 4.352 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.313 -2.400 4.622 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.766 -1.494 5.321 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.085 -3.323 4.074 1.00 0.29 N ATOM 0 H ASN A 83 -7.014 0.543 3.584 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.412 -0.657 5.358 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.672 -2.939 3.363 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.379 -3.192 5.073 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.094 -3.300 4.225 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.672 -4.058 3.501 1.00 0.29 H new ATOM 1182 N CYS A 84 -3.900 -0.219 4.374 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.448 -0.233 4.339 1.00 0.23 C ATOM 1184 C CYS A 84 -1.871 -0.284 5.746 1.00 0.25 C ATOM 1185 O CYS A 84 -1.647 0.747 6.379 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.931 1.001 3.608 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.625 1.219 1.941 1.00 0.81 S ATOM 0 H CYS A 84 -4.312 0.713 4.333 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.128 -1.127 3.805 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.158 1.885 4.203 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.845 0.938 3.533 1.00 0.26 H new ATOM 1192 N THR A 85 -1.641 -1.491 6.226 1.00 0.25 N ATOM 1193 CA THR A 85 -1.062 -1.697 7.543 1.00 0.28 C ATOM 1194 C THR A 85 0.432 -1.383 7.522 1.00 0.24 C ATOM 1195 O THR A 85 1.167 -1.919 6.690 1.00 0.23 O ATOM 1196 CB THR A 85 -1.280 -3.148 8.010 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.676 -3.477 7.942 1.00 0.43 O ATOM 1198 CG2 THR A 85 -0.776 -3.347 9.433 1.00 0.44 C ATOM 0 H THR A 85 -1.848 -2.352 5.720 1.00 0.25 H new ATOM 0 HA THR A 85 -1.559 -1.023 8.241 1.00 0.28 H new ATOM 0 HB THR A 85 -0.715 -3.806 7.350 1.00 0.36 H new ATOM 0 HG1 THR A 85 -2.809 -4.402 8.238 1.00 0.43 H new ATOM 0 HG21 THR A 85 -0.943 -4.380 9.737 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.290 -3.123 9.476 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.314 -2.680 10.106 1.00 0.44 H new ATOM 1206 N PRO A 86 0.900 -0.500 8.419 1.00 0.26 N ATOM 1207 CA PRO A 86 2.310 -0.110 8.489 1.00 0.28 C ATOM 1208 C PRO A 86 3.202 -1.279 8.893 1.00 0.33 C ATOM 1209 O PRO A 86 3.019 -1.884 9.955 1.00 0.39 O ATOM 1210 CB PRO A 86 2.338 0.994 9.557 1.00 0.37 C ATOM 1211 CG PRO A 86 0.918 1.407 9.733 1.00 0.35 C ATOM 1212 CD PRO A 86 0.099 0.191 9.440 1.00 0.29 C ATOM 0 HA PRO A 86 2.691 0.223 7.523 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.759 0.626 10.492 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.955 1.834 9.238 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.738 1.764 10.747 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.662 2.223 9.057 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.043 -0.425 10.328 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.893 0.450 9.069 1.00 0.29 H new ATOM 1220 N ILE A 87 4.157 -1.597 8.036 1.00 0.37 N ATOM 1221 CA ILE A 87 5.039 -2.725 8.245 1.00 0.47 C ATOM 1222 C ILE A 87 6.394 -2.264 8.778 1.00 0.57 C ATOM 1223 O ILE A 87 6.797 -1.120 8.560 1.00 0.56 O ATOM 1224 CB ILE A 87 5.237 -3.508 6.935 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.603 -2.559 5.793 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.983 -4.300 6.596 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.023 -3.262 4.522 1.00 0.49 C ATOM 0 H ILE A 87 4.340 -1.079 7.177 1.00 0.37 H new ATOM 0 HA ILE A 87 4.575 -3.379 8.983 1.00 0.47 H new ATOM 0 HB ILE A 87 6.060 -4.210 7.071 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.747 -1.920 5.577 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.413 -1.907 6.121 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.139 -4.848 5.667 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.768 -5.003 7.401 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.142 -3.617 6.477 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.266 -2.522 3.760 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.899 -3.880 4.720 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.207 -3.892 4.168 1.00 0.49 H new ATOM 1239 N PRO A 88 7.107 -3.146 9.497 1.00 0.73 N ATOM 1240 CA PRO A 88 8.417 -2.838 10.073 1.00 0.86 C ATOM 1241 C PRO A 88 9.511 -2.706 9.017 1.00 0.92 C ATOM 1242 O PRO A 88 9.364 -3.168 7.883 1.00 0.96 O ATOM 1243 CB PRO A 88 8.704 -4.042 10.980 1.00 1.05 C ATOM 1244 CG PRO A 88 7.409 -4.759 11.112 1.00 1.04 C ATOM 1245 CD PRO A 88 6.701 -4.517 9.821 1.00 0.85 C ATOM 0 HA PRO A 88 8.408 -1.881 10.594 1.00 0.86 H new ATOM 0 HB2 PRO A 88 9.467 -4.687 10.545 1.00 1.05 H new ATOM 0 HB3 PRO A 88 9.075 -3.720 11.953 1.00 1.05 H new ATOM 0 HG2 PRO A 88 7.563 -5.824 11.284 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.832 -4.380 11.956 1.00 1.04 H new ATOM 0 HD2 PRO A 88 7.006 -5.225 9.050 1.00 0.85 H new ATOM 0 HD3 PRO A 88 5.620 -4.607 9.926 1.00 0.85 H new