USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 565 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 7 CYS SG : rot 179:sc= 0.334 USER MOD Set 1.2: A 12 CYS SG : rot -170:sc= -10! USER MOD Set 1.3: A 62 CYS SG : rot -156:sc= -13.5! USER MOD Set 1.4: A 65 HIS : no HE2:sc= -26.4! C(o=-50!,f=-45!) USER MOD Set 2.1: A 54 GLN : amide:sc= -2.96! K(o=-5.8!,f=-3.7) USER MOD Set 2.2: A 56 THR OG1 : rot 145:sc= -2.82! USER MOD Set 3.1: A 16 SER OG : rot 170:sc= -3.16! USER MOD Set 3.2: A 17 HIS : no HE2:sc= -1.79 K(o=-4.9,f=-9.6!) USER MOD Single : A 6 THR OG1 : rot -66:sc= -0.0294! USER MOD Single : A 8 CYS SG : rot 180:sc= -0.393 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -20.7! C(o=-21!,f=-17!) USER MOD Single : A 15 ASN : amide:sc= -0.185! C(o=-0.19!,f=-11!) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -0.115 (180deg=-0.454) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= -1.38 (180deg=-3.25!) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= -0.0181 (180deg=-0.245) USER MOD Single : A 40 ASN : amide:sc= -5.37! C(o=-5.4!,f=-8.8!) USER MOD Single : A 42 SER OG : rot 150:sc= -1.1 USER MOD Single : A 52 THR OG1 : rot -18:sc= 0.457 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -8.48! C(o=-8.5!,f=-6.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.0812 K(o=0.081,f=-3.1!) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00483) USER MOD Single : A 72 THR OG1 : rot -141:sc= -3.34! USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 79 THR OG1 : rot -28:sc= 0.863! USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 4.007 12.642 0.142 1.00 0.00 N ATOM 36 CA GLY A 4 2.842 11.878 -0.273 1.00 0.00 C ATOM 37 C GLY A 4 3.160 10.400 -0.517 1.00 0.00 C ATOM 38 O GLY A 4 4.309 9.994 -0.355 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.069 11.958 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.434 12.313 -1.185 1.00 0.00 H new ATOM 42 N PHE A 5 2.143 9.599 -0.917 1.00 0.00 N ATOM 43 CA PHE A 5 2.297 8.168 -1.201 1.00 0.00 C ATOM 44 C PHE A 5 1.123 7.386 -0.629 1.00 0.00 C ATOM 45 O PHE A 5 1.222 6.188 -0.375 1.00 0.00 O ATOM 46 CB PHE A 5 3.594 7.568 -0.689 1.00 0.00 C ATOM 47 CG PHE A 5 3.717 7.542 0.811 1.00 0.00 C ATOM 48 CD1 PHE A 5 2.783 8.177 1.617 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.774 6.883 1.414 1.00 0.00 C ATOM 50 CE1 PHE A 5 2.902 8.152 2.993 1.00 0.00 C ATOM 51 CE2 PHE A 5 4.900 6.856 2.790 1.00 0.00 C ATOM 52 CZ PHE A 5 3.962 7.490 3.580 1.00 0.00 C ATOM 0 H PHE A 5 1.190 9.938 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 5 2.323 8.088 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.683 6.549 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.430 8.134 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.953 8.697 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.510 6.383 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.167 8.649 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.731 6.340 3.247 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.057 7.468 4.656 1.00 0.00 H new ATOM 62 N THR A 6 0.013 8.101 -0.444 1.00 0.00 N ATOM 63 CA THR A 6 -1.237 7.563 0.069 1.00 0.00 C ATOM 64 C THR A 6 -1.725 6.334 -0.726 1.00 0.00 C ATOM 65 O THR A 6 -2.867 6.259 -1.139 1.00 0.00 O ATOM 66 CB THR A 6 -2.249 8.733 0.101 1.00 0.00 C ATOM 67 OG1 THR A 6 -2.084 9.465 1.299 1.00 0.00 O ATOM 68 CG2 THR A 6 -3.725 8.382 0.012 1.00 0.00 C ATOM 0 H THR A 6 -0.038 9.098 -0.654 1.00 0.00 H new ATOM 0 HA THR A 6 -1.105 7.171 1.077 1.00 0.00 H new ATOM 0 HB THR A 6 -2.012 9.288 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.334 8.904 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.319 9.295 0.046 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.919 7.858 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.998 7.741 0.850 1.00 0.00 H new ATOM 76 N CYS A 7 -0.855 5.330 -0.877 1.00 0.00 N ATOM 77 CA CYS A 7 -1.222 4.095 -1.568 1.00 0.00 C ATOM 78 C CYS A 7 -1.808 4.384 -2.940 1.00 0.00 C ATOM 79 O CYS A 7 -2.995 4.660 -3.040 1.00 0.00 O ATOM 80 CB CYS A 7 -2.258 3.332 -0.736 1.00 0.00 C ATOM 81 SG CYS A 7 -2.851 1.788 -1.480 1.00 0.00 S ATOM 0 H CYS A 7 0.104 5.350 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.319 3.497 -1.694 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.824 3.105 0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.113 3.985 -0.560 1.00 0.00 H new ATOM 0 HG CYS A 7 -3.702 1.219 -0.679 1.00 0.00 H new ATOM 86 N CYS A 8 -0.991 4.313 -3.995 1.00 0.00 N ATOM 87 CA CYS A 8 -1.487 4.563 -5.352 1.00 0.00 C ATOM 88 C CYS A 8 -2.766 3.770 -5.584 1.00 0.00 C ATOM 89 O CYS A 8 -2.771 2.726 -6.234 1.00 0.00 O ATOM 90 CB CYS A 8 -0.440 4.188 -6.391 1.00 0.00 C ATOM 91 SG CYS A 8 -0.974 4.433 -8.101 1.00 0.00 S ATOM 0 H CYS A 8 0.002 4.088 -3.939 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.698 5.627 -5.455 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.459 4.779 -6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.166 3.142 -6.254 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.015 4.088 -8.909 1.00 0.00 H new ATOM 97 N VAL A 9 -3.828 4.268 -4.980 1.00 0.00 N ATOM 98 CA VAL A 9 -5.133 3.643 -5.011 1.00 0.00 C ATOM 99 C VAL A 9 -5.861 3.791 -6.336 1.00 0.00 C ATOM 100 O VAL A 9 -6.379 4.861 -6.655 1.00 0.00 O ATOM 101 CB VAL A 9 -6.010 4.245 -3.894 1.00 0.00 C ATOM 102 CG1 VAL A 9 -7.486 3.914 -4.067 1.00 0.00 C ATOM 103 CG2 VAL A 9 -5.511 3.773 -2.560 1.00 0.00 C ATOM 0 H VAL A 9 -3.805 5.135 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.964 2.576 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.930 5.330 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.057 4.362 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.839 4.310 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.621 2.832 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.130 4.197 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.562 2.685 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.478 4.093 -2.424 1.00 0.00 H new ATOM 113 N PRO A 10 -5.981 2.689 -7.091 1.00 0.00 N ATOM 114 CA PRO A 10 -6.727 2.686 -8.332 1.00 0.00 C ATOM 115 C PRO A 10 -8.217 2.531 -8.029 1.00 0.00 C ATOM 116 O PRO A 10 -9.066 2.782 -8.883 1.00 0.00 O ATOM 117 CB PRO A 10 -6.186 1.456 -9.051 1.00 0.00 C ATOM 118 CG PRO A 10 -5.871 0.504 -7.950 1.00 0.00 C ATOM 119 CD PRO A 10 -5.465 1.342 -6.761 1.00 0.00 C ATOM 0 HA PRO A 10 -6.622 3.598 -8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.922 1.040 -9.740 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.299 1.695 -9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.737 -0.114 -7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.067 -0.173 -8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.899 0.962 -5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.383 1.349 -6.626 1.00 0.00 H new ATOM 127 N GLY A 11 -8.520 2.113 -6.789 1.00 0.00 N ATOM 128 CA GLY A 11 -9.903 1.932 -6.386 1.00 0.00 C ATOM 129 C GLY A 11 -10.118 1.704 -4.885 1.00 0.00 C ATOM 130 O GLY A 11 -11.266 1.648 -4.446 1.00 0.00 O ATOM 0 H GLY A 11 -7.831 1.900 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.472 2.811 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.316 1.082 -6.930 1.00 0.00 H new ATOM 134 N CYS A 12 -9.048 1.555 -4.082 1.00 0.00 N ATOM 135 CA CYS A 12 -9.243 1.316 -2.644 1.00 0.00 C ATOM 136 C CYS A 12 -9.594 2.606 -1.861 1.00 0.00 C ATOM 137 O CYS A 12 -10.485 3.348 -2.272 1.00 0.00 O ATOM 138 CB CYS A 12 -8.070 0.539 -1.995 1.00 0.00 C ATOM 139 SG CYS A 12 -6.397 0.920 -2.576 1.00 0.00 S ATOM 0 H CYS A 12 -8.076 1.594 -4.390 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.115 0.666 -2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.102 0.716 -0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.246 -0.526 -2.148 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.561 0.049 -2.093 1.00 0.00 H new ATOM 144 N TYR A 13 -8.952 2.834 -0.699 1.00 0.00 N ATOM 145 CA TYR A 13 -9.277 3.988 0.152 1.00 0.00 C ATOM 146 C TYR A 13 -8.940 5.342 -0.514 1.00 0.00 C ATOM 147 O TYR A 13 -9.741 5.903 -1.263 1.00 0.00 O ATOM 148 CB TYR A 13 -8.592 3.852 1.529 1.00 0.00 C ATOM 149 CG TYR A 13 -9.436 4.375 2.685 1.00 0.00 C ATOM 150 CD1 TYR A 13 -10.828 4.332 2.643 1.00 0.00 C ATOM 151 CD2 TYR A 13 -8.839 4.915 3.820 1.00 0.00 C ATOM 152 CE1 TYR A 13 -11.593 4.811 3.690 1.00 0.00 C ATOM 153 CE2 TYR A 13 -9.599 5.393 4.871 1.00 0.00 C ATOM 154 CZ TYR A 13 -10.973 5.340 4.801 1.00 0.00 C ATOM 155 OH TYR A 13 -11.731 5.816 5.844 1.00 0.00 O ATOM 0 H TYR A 13 -8.211 2.237 -0.333 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.357 3.985 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.358 2.802 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.645 4.391 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.319 3.916 1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.762 4.962 3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.671 4.771 3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -9.117 5.807 5.744 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.141 6.154 6.550 1.00 0.00 H new ATOM 165 N ASN A 14 -7.755 5.850 -0.200 1.00 0.00 N ATOM 166 CA ASN A 14 -7.224 7.125 -0.680 1.00 0.00 C ATOM 167 C ASN A 14 -5.863 6.825 -1.349 1.00 0.00 C ATOM 168 O ASN A 14 -5.269 5.811 -1.007 1.00 0.00 O ATOM 169 CB ASN A 14 -7.125 8.082 0.501 1.00 0.00 C ATOM 170 CG ASN A 14 -6.439 7.399 1.670 1.00 0.00 C ATOM 171 OD1 ASN A 14 -5.391 7.819 2.134 1.00 0.00 O ATOM 172 ND2 ASN A 14 -7.098 6.344 2.176 1.00 0.00 N ATOM 0 H ASN A 14 -7.108 5.366 0.423 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.865 7.607 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.567 8.972 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.121 8.412 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.726 5.852 2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.971 6.035 1.748 1.00 0.00 H new ATOM 179 N ASN A 15 -5.387 7.607 -2.340 1.00 0.00 N ATOM 180 CA ASN A 15 -4.146 7.219 -3.047 1.00 0.00 C ATOM 181 C ASN A 15 -2.905 8.133 -2.821 1.00 0.00 C ATOM 182 O ASN A 15 -3.050 9.272 -2.389 1.00 0.00 O ATOM 183 CB ASN A 15 -4.431 7.122 -4.557 1.00 0.00 C ATOM 184 CG ASN A 15 -4.680 8.471 -5.205 1.00 0.00 C ATOM 185 OD1 ASN A 15 -5.336 9.339 -4.636 1.00 0.00 O ATOM 186 ND2 ASN A 15 -4.147 8.648 -6.410 1.00 0.00 N ATOM 0 H ASN A 15 -5.819 8.474 -2.660 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.869 6.260 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.587 6.640 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.300 6.484 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.276 9.533 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.609 7.898 -6.845 1.00 0.00 H new ATOM 193 N SER A 16 -1.660 7.604 -3.101 1.00 0.00 N ATOM 194 CA SER A 16 -0.448 8.298 -2.898 1.00 0.00 C ATOM 195 C SER A 16 -0.533 9.772 -3.352 1.00 0.00 C ATOM 196 O SER A 16 -1.550 10.200 -3.896 1.00 0.00 O ATOM 197 CB SER A 16 0.708 7.545 -3.628 1.00 0.00 C ATOM 198 OG SER A 16 1.788 8.419 -3.921 1.00 0.00 O ATOM 0 H SER A 16 -1.530 6.665 -3.478 1.00 0.00 H new ATOM 0 HA SER A 16 -0.243 8.322 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.061 6.724 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.332 7.105 -4.552 1.00 0.00 H new ATOM 0 HG SER A 16 2.556 7.897 -4.233 1.00 0.00 H new ATOM 204 N HIS A 17 0.552 10.528 -3.146 1.00 0.00 N ATOM 205 CA HIS A 17 0.644 11.940 -3.534 1.00 0.00 C ATOM 206 C HIS A 17 -0.724 12.617 -3.674 1.00 0.00 C ATOM 207 O HIS A 17 -1.055 13.119 -4.749 1.00 0.00 O ATOM 208 CB HIS A 17 1.411 12.055 -4.851 1.00 0.00 C ATOM 209 CG HIS A 17 0.959 11.081 -5.897 1.00 0.00 C ATOM 210 ND1 HIS A 17 -0.368 10.791 -6.133 1.00 0.00 N ATOM 211 CD2 HIS A 17 1.668 10.327 -6.771 1.00 0.00 C ATOM 212 CE1 HIS A 17 -0.456 9.899 -7.104 1.00 0.00 C ATOM 213 NE2 HIS A 17 0.765 9.603 -7.508 1.00 0.00 N ATOM 0 H HIS A 17 1.399 10.173 -2.701 1.00 0.00 H new ATOM 0 HA HIS A 17 1.171 12.458 -2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.301 13.068 -5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.473 11.901 -4.658 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -1.159 11.201 -5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.743 10.301 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.371 9.483 -7.499 1.00 0.00 H new ATOM 222 N ARG A 18 -1.531 12.635 -2.606 1.00 0.00 N ATOM 223 CA ARG A 18 -2.843 13.265 -2.698 1.00 0.00 C ATOM 224 C ARG A 18 -3.485 13.540 -1.325 1.00 0.00 C ATOM 225 O ARG A 18 -3.725 14.698 -0.986 1.00 0.00 O ATOM 226 CB ARG A 18 -3.752 12.409 -3.593 1.00 0.00 C ATOM 227 CG ARG A 18 -5.227 12.425 -3.220 1.00 0.00 C ATOM 228 CD ARG A 18 -5.596 11.195 -2.413 1.00 0.00 C ATOM 229 NE ARG A 18 -6.784 10.528 -2.945 1.00 0.00 N ATOM 230 CZ ARG A 18 -8.032 10.831 -2.591 1.00 0.00 C ATOM 231 NH1 ARG A 18 -8.268 11.809 -1.724 1.00 0.00 N ATOM 232 NH2 ARG A 18 -9.049 10.159 -3.113 1.00 0.00 N ATOM 0 H ARG A 18 -1.304 12.232 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.711 14.248 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.650 12.753 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.397 11.379 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.451 13.323 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.834 12.467 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.758 10.497 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.774 11.481 -1.376 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.648 9.784 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.491 12.334 -1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.227 12.035 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.875 9.411 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.005 10.390 -2.843 1.00 0.00 H new ATOM 246 N ASP A 19 -3.808 12.496 -0.550 1.00 0.00 N ATOM 247 CA ASP A 19 -4.469 12.715 0.745 1.00 0.00 C ATOM 248 C ASP A 19 -3.506 12.740 1.946 1.00 0.00 C ATOM 249 O ASP A 19 -3.440 13.739 2.662 1.00 0.00 O ATOM 250 CB ASP A 19 -5.632 11.712 0.954 1.00 0.00 C ATOM 251 CG ASP A 19 -6.138 11.686 2.378 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.928 12.583 2.741 1.00 0.00 O ATOM 253 OD2 ASP A 19 -5.744 10.770 3.131 1.00 0.00 O ATOM 0 H ASP A 19 -3.630 11.520 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.888 13.720 0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.454 11.972 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.298 10.713 0.674 1.00 0.00 H new ATOM 258 N LYS A 20 -2.783 11.655 2.181 1.00 0.00 N ATOM 259 CA LYS A 20 -1.855 11.573 3.315 1.00 0.00 C ATOM 260 C LYS A 20 -2.570 11.849 4.643 1.00 0.00 C ATOM 261 O LYS A 20 -1.934 12.125 5.659 1.00 0.00 O ATOM 262 CB LYS A 20 -0.712 12.571 3.136 1.00 0.00 C ATOM 263 CG LYS A 20 0.028 12.418 1.820 1.00 0.00 C ATOM 264 CD LYS A 20 -0.281 13.559 0.863 1.00 0.00 C ATOM 265 CE LYS A 20 0.107 14.906 1.453 1.00 0.00 C ATOM 266 NZ LYS A 20 1.422 14.851 2.152 1.00 0.00 N ATOM 0 H LYS A 20 -2.816 10.814 1.604 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.455 10.559 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.111 13.583 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.005 12.452 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.101 12.382 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.246 11.470 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.254 13.404 -0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.345 13.558 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.150 15.651 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.663 15.230 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.825 15.808 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.289 14.473 3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.071 14.234 1.623 1.00 0.00 H new ATOM 280 N ALA A 21 -3.896 11.803 4.609 1.00 0.00 N ATOM 281 CA ALA A 21 -4.717 12.083 5.801 1.00 0.00 C ATOM 282 C ALA A 21 -5.428 10.852 6.425 1.00 0.00 C ATOM 283 O ALA A 21 -5.356 10.673 7.641 1.00 0.00 O ATOM 284 CB ALA A 21 -5.733 13.175 5.483 1.00 0.00 C ATOM 0 H ALA A 21 -4.434 11.575 3.773 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.013 12.414 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.337 13.378 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.210 14.083 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.379 12.845 4.670 1.00 0.00 H new ATOM 290 N LEU A 22 -6.143 10.028 5.632 1.00 0.00 N ATOM 291 CA LEU A 22 -6.864 8.875 6.176 1.00 0.00 C ATOM 292 C LEU A 22 -5.850 7.909 6.874 1.00 0.00 C ATOM 293 O LEU A 22 -4.789 8.378 7.285 1.00 0.00 O ATOM 294 CB LEU A 22 -7.755 8.261 5.044 1.00 0.00 C ATOM 295 CG LEU A 22 -8.341 9.278 4.026 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.752 8.881 3.592 1.00 0.00 C ATOM 297 CD2 LEU A 22 -8.389 10.685 4.598 1.00 0.00 C ATOM 0 H LEU A 22 -6.232 10.144 4.622 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.562 9.146 6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.162 7.527 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.581 7.722 5.508 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.675 9.265 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.133 9.613 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.725 7.898 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.405 8.849 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.805 11.366 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.016 10.694 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.381 11.006 4.860 1.00 0.00 H new ATOM 309 N HIS A 23 -6.142 6.608 7.086 1.00 0.00 N ATOM 310 CA HIS A 23 -5.200 5.747 7.811 1.00 0.00 C ATOM 311 C HIS A 23 -4.338 4.892 6.864 1.00 0.00 C ATOM 312 O HIS A 23 -4.830 4.455 5.823 1.00 0.00 O ATOM 313 CB HIS A 23 -5.991 4.807 8.725 1.00 0.00 C ATOM 314 CG HIS A 23 -5.619 4.922 10.171 1.00 0.00 C ATOM 315 ND1 HIS A 23 -6.532 5.202 11.165 1.00 0.00 N ATOM 316 CD2 HIS A 23 -4.421 4.794 10.790 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.912 5.243 12.332 1.00 0.00 C ATOM 318 NE2 HIS A 23 -4.631 4.997 12.132 1.00 0.00 N ATOM 0 H HIS A 23 -6.997 6.147 6.774 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.534 6.395 8.381 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.055 5.017 8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.833 3.779 8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.476 4.573 10.316 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.375 5.444 13.287 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.914 4.963 12.856 1.00 0.00 H new ATOM 327 N PHE A 24 -3.054 4.625 7.216 1.00 0.00 N ATOM 328 CA PHE A 24 -2.216 3.801 6.358 1.00 0.00 C ATOM 329 C PHE A 24 -1.521 2.651 7.147 1.00 0.00 C ATOM 330 O PHE A 24 -1.012 2.881 8.242 1.00 0.00 O ATOM 331 CB PHE A 24 -1.190 4.665 5.605 1.00 0.00 C ATOM 332 CG PHE A 24 -1.804 5.418 4.444 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.754 6.399 4.687 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.501 5.112 3.109 1.00 0.00 C ATOM 335 CE1 PHE A 24 -3.366 7.058 3.641 1.00 0.00 C ATOM 336 CE2 PHE A 24 -2.124 5.751 2.091 1.00 0.00 C ATOM 337 CZ PHE A 24 -3.048 6.723 2.338 1.00 0.00 C ATOM 0 H PHE A 24 -2.602 4.964 8.065 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.867 3.328 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.741 5.376 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.386 4.029 5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.017 6.649 5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.761 4.357 2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.091 7.833 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.886 5.488 1.071 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.531 7.231 1.516 1.00 0.00 H new ATOM 347 N TYR A 25 -1.487 1.417 6.582 1.00 0.00 N ATOM 348 CA TYR A 25 -0.843 0.267 7.227 1.00 0.00 C ATOM 349 C TYR A 25 0.660 0.276 6.897 1.00 0.00 C ATOM 350 O TYR A 25 1.055 0.910 5.926 1.00 0.00 O ATOM 351 CB TYR A 25 -1.481 -1.044 6.751 1.00 0.00 C ATOM 352 CG TYR A 25 -2.773 -1.394 7.461 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.701 -0.412 7.782 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.067 -2.709 7.805 1.00 0.00 C ATOM 355 CE1 TYR A 25 -4.881 -0.728 8.427 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.249 -3.035 8.450 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.151 -2.039 8.758 1.00 0.00 C ATOM 358 OH TYR A 25 -6.326 -2.357 9.400 1.00 0.00 O ATOM 0 H TYR A 25 -1.903 1.203 5.676 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.979 0.340 8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.674 -0.974 5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.768 -1.856 6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.497 0.616 7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.361 -3.490 7.565 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.590 0.049 8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.462 -4.061 8.710 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.360 -3.323 9.559 1.00 0.00 H new ATOM 368 N THR A 26 1.517 -0.376 7.702 1.00 0.00 N ATOM 369 CA THR A 26 2.960 -0.325 7.439 1.00 0.00 C ATOM 370 C THR A 26 3.489 -1.618 6.787 1.00 0.00 C ATOM 371 O THR A 26 2.743 -2.577 6.586 1.00 0.00 O ATOM 372 CB THR A 26 3.738 -0.016 8.728 1.00 0.00 C ATOM 373 OG1 THR A 26 4.497 -1.137 9.150 1.00 0.00 O ATOM 374 CG2 THR A 26 2.855 0.398 9.888 1.00 0.00 C ATOM 0 H THR A 26 1.244 -0.928 8.515 1.00 0.00 H new ATOM 0 HA THR A 26 3.121 0.482 6.725 1.00 0.00 H new ATOM 0 HB THR A 26 4.384 0.822 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.983 -0.913 9.971 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.474 0.600 10.762 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.301 1.298 9.620 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.155 -0.405 10.117 1.00 0.00 H new ATOM 382 N PHE A 27 4.767 -1.581 6.377 1.00 0.00 N ATOM 383 CA PHE A 27 5.403 -2.679 5.646 1.00 0.00 C ATOM 384 C PHE A 27 5.932 -3.851 6.510 1.00 0.00 C ATOM 385 O PHE A 27 6.659 -3.615 7.474 1.00 0.00 O ATOM 386 CB PHE A 27 6.593 -2.104 4.888 1.00 0.00 C ATOM 387 CG PHE A 27 6.511 -2.133 3.384 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.323 -2.408 2.726 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.643 -1.868 2.621 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.269 -2.418 1.347 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.588 -1.879 1.242 1.00 0.00 C ATOM 392 CZ PHE A 27 6.399 -2.153 0.604 1.00 0.00 C ATOM 0 H PHE A 27 5.385 -0.787 6.545 1.00 0.00 H new ATOM 0 HA PHE A 27 4.623 -3.099 5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.730 -1.069 5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.486 -2.650 5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.431 -2.617 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.579 -1.650 3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.336 -2.635 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.477 -1.673 0.664 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.352 -2.160 -0.475 1.00 0.00 H new ATOM 402 N PRO A 28 5.596 -5.136 6.173 1.00 0.00 N ATOM 403 CA PRO A 28 6.081 -6.315 6.929 1.00 0.00 C ATOM 404 C PRO A 28 7.577 -6.200 7.286 1.00 0.00 C ATOM 405 O PRO A 28 8.248 -5.264 6.849 1.00 0.00 O ATOM 406 CB PRO A 28 5.883 -7.442 5.893 1.00 0.00 C ATOM 407 CG PRO A 28 4.631 -7.048 5.208 1.00 0.00 C ATOM 408 CD PRO A 28 4.677 -5.552 5.081 1.00 0.00 C ATOM 0 HA PRO A 28 5.566 -6.455 7.879 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.721 -7.504 5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.792 -8.418 6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.558 -7.520 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.758 -7.364 5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.050 -5.244 4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.688 -5.109 5.199 1.00 0.00 H new ATOM 416 N LYS A 29 8.103 -7.140 8.085 1.00 0.00 N ATOM 417 CA LYS A 29 9.513 -7.098 8.487 1.00 0.00 C ATOM 418 C LYS A 29 10.400 -7.866 7.510 1.00 0.00 C ATOM 419 O LYS A 29 11.617 -7.686 7.487 1.00 0.00 O ATOM 420 CB LYS A 29 9.700 -7.665 9.904 1.00 0.00 C ATOM 421 CG LYS A 29 8.402 -7.906 10.662 1.00 0.00 C ATOM 422 CD LYS A 29 8.662 -8.336 12.097 1.00 0.00 C ATOM 423 CE LYS A 29 9.489 -7.305 12.850 1.00 0.00 C ATOM 424 NZ LYS A 29 10.954 -7.515 12.659 1.00 0.00 N ATOM 0 H LYS A 29 7.578 -7.930 8.461 1.00 0.00 H new ATOM 0 HA LYS A 29 9.814 -6.050 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.247 -8.605 9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.320 -6.977 10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.803 -6.995 10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.819 -8.673 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.712 -8.486 12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.182 -9.294 12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.219 -6.305 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.251 -7.355 13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.414 -7.619 13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.111 -8.375 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.360 -6.697 12.161 1.00 0.00 H new ATOM 438 N ASP A 30 9.781 -8.719 6.708 1.00 0.00 N ATOM 439 CA ASP A 30 10.510 -9.520 5.725 1.00 0.00 C ATOM 440 C ASP A 30 10.762 -8.693 4.461 1.00 0.00 C ATOM 441 O ASP A 30 9.814 -8.295 3.782 1.00 0.00 O ATOM 442 CB ASP A 30 9.708 -10.787 5.370 1.00 0.00 C ATOM 443 CG ASP A 30 8.424 -10.937 6.168 1.00 0.00 C ATOM 444 OD1 ASP A 30 7.388 -10.392 5.733 1.00 0.00 O ATOM 445 OD2 ASP A 30 8.456 -11.599 7.227 1.00 0.00 O ATOM 0 H ASP A 30 8.773 -8.878 6.716 1.00 0.00 H new ATOM 0 HA ASP A 30 11.467 -9.817 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.466 -10.768 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.335 -11.663 5.538 1.00 0.00 H new ATOM 450 N ALA A 31 12.035 -8.409 4.154 1.00 0.00 N ATOM 451 CA ALA A 31 12.379 -7.607 2.991 1.00 0.00 C ATOM 452 C ALA A 31 11.529 -7.949 1.725 1.00 0.00 C ATOM 453 O ALA A 31 10.727 -7.133 1.285 1.00 0.00 O ATOM 454 CB ALA A 31 13.893 -7.681 2.742 1.00 0.00 C ATOM 0 H ALA A 31 12.837 -8.726 4.699 1.00 0.00 H new ATOM 0 HA ALA A 31 12.119 -6.571 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.148 -7.079 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.424 -7.300 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.182 -8.717 2.565 1.00 0.00 H new ATOM 460 N GLU A 32 11.676 -9.135 1.131 1.00 0.00 N ATOM 461 CA GLU A 32 10.904 -9.472 -0.082 1.00 0.00 C ATOM 462 C GLU A 32 9.422 -9.274 0.068 1.00 0.00 C ATOM 463 O GLU A 32 8.873 -8.450 -0.664 1.00 0.00 O ATOM 464 CB GLU A 32 11.240 -10.889 -0.571 1.00 0.00 C ATOM 465 CG GLU A 32 10.376 -11.379 -1.724 1.00 0.00 C ATOM 466 CD GLU A 32 9.142 -12.128 -1.254 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.000 -12.334 -0.031 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.319 -12.510 -2.114 1.00 0.00 O ATOM 0 H GLU A 32 12.306 -9.868 1.456 1.00 0.00 H new ATOM 0 HA GLU A 32 11.214 -8.759 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.285 -10.915 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.137 -11.582 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.070 -10.527 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.969 -12.031 -2.366 1.00 0.00 H new ATOM 475 N LEU A 33 8.732 -9.969 0.974 1.00 0.00 N ATOM 476 CA LEU A 33 7.311 -9.729 1.071 1.00 0.00 C ATOM 477 C LEU A 33 7.040 -8.238 0.858 1.00 0.00 C ATOM 478 O LEU A 33 6.110 -7.835 0.162 1.00 0.00 O ATOM 479 CB LEU A 33 6.770 -10.173 2.438 1.00 0.00 C ATOM 480 CG LEU A 33 5.264 -10.446 2.497 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.638 -10.427 1.112 1.00 0.00 C ATOM 482 CD2 LEU A 33 4.985 -11.774 3.152 1.00 0.00 C ATOM 0 H LEU A 33 9.116 -10.664 1.614 1.00 0.00 H new ATOM 0 HA LEU A 33 6.801 -10.311 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.297 -11.078 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.011 -9.403 3.171 1.00 0.00 H new ATOM 0 HG LEU A 33 4.818 -9.649 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.569 -10.624 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.793 -9.449 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.103 -11.194 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.909 -11.946 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.463 -12.569 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.380 -11.769 4.168 1.00 0.00 H new ATOM 494 N ARG A 34 7.936 -7.437 1.406 1.00 0.00 N ATOM 495 CA ARG A 34 7.866 -5.983 1.294 1.00 0.00 C ATOM 496 C ARG A 34 7.832 -5.564 -0.145 1.00 0.00 C ATOM 497 O ARG A 34 6.856 -4.958 -0.603 1.00 0.00 O ATOM 498 CB ARG A 34 9.048 -5.328 2.047 1.00 0.00 C ATOM 499 CG ARG A 34 9.711 -4.134 1.358 1.00 0.00 C ATOM 500 CD ARG A 34 11.043 -4.509 0.724 1.00 0.00 C ATOM 501 NE ARG A 34 11.977 -3.385 0.700 1.00 0.00 N ATOM 502 CZ ARG A 34 12.073 -2.513 -0.301 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.274 -2.607 -1.355 1.00 0.00 N ATOM 504 NH2 ARG A 34 12.970 -1.539 -0.245 1.00 0.00 N ATOM 0 H ARG A 34 8.736 -7.772 1.943 1.00 0.00 H new ATOM 0 HA ARG A 34 6.941 -5.640 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.693 -5.005 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.809 -6.090 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.043 -3.741 0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.867 -3.337 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.487 -5.337 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.873 -4.860 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 34 12.595 -3.261 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.579 -3.352 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.354 -1.934 -2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.586 -1.458 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.045 -0.870 -1.011 1.00 0.00 H new ATOM 518 N ARG A 35 8.874 -5.913 -0.866 1.00 0.00 N ATOM 519 CA ARG A 35 8.928 -5.561 -2.257 1.00 0.00 C ATOM 520 C ARG A 35 7.678 -6.053 -2.941 1.00 0.00 C ATOM 521 O ARG A 35 7.145 -5.374 -3.814 1.00 0.00 O ATOM 522 CB ARG A 35 10.210 -6.070 -2.952 1.00 0.00 C ATOM 523 CG ARG A 35 10.432 -7.576 -2.931 1.00 0.00 C ATOM 524 CD ARG A 35 9.600 -8.298 -3.982 1.00 0.00 C ATOM 525 NE ARG A 35 9.951 -7.886 -5.339 1.00 0.00 N ATOM 526 CZ ARG A 35 9.270 -8.252 -6.422 1.00 0.00 C ATOM 527 NH1 ARG A 35 8.203 -9.034 -6.311 1.00 0.00 N ATOM 528 NH2 ARG A 35 9.658 -7.835 -7.620 1.00 0.00 N ATOM 0 H ARG A 35 9.680 -6.431 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 35 8.972 -4.475 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.190 -5.741 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.068 -5.590 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.488 -7.788 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.182 -7.964 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.744 -9.374 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.543 -8.100 -3.806 1.00 0.00 H new ATOM 0 HE ARG A 35 10.765 -7.283 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.901 -9.358 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.685 -9.311 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.478 -7.235 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.137 -8.115 -8.451 1.00 0.00 H new ATOM 542 N LEU A 36 7.144 -7.195 -2.501 1.00 0.00 N ATOM 543 CA LEU A 36 5.907 -7.666 -3.139 1.00 0.00 C ATOM 544 C LEU A 36 4.845 -6.607 -3.033 1.00 0.00 C ATOM 545 O LEU A 36 4.223 -6.238 -4.034 1.00 0.00 O ATOM 546 CB LEU A 36 5.414 -8.999 -2.567 1.00 0.00 C ATOM 547 CG LEU A 36 6.163 -10.238 -3.067 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.802 -11.454 -2.229 1.00 0.00 C ATOM 549 CD2 LEU A 36 5.854 -10.490 -4.535 1.00 0.00 C ATOM 0 H LEU A 36 7.517 -7.781 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 36 6.130 -7.851 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.491 -8.961 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.357 -9.111 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 36 7.233 -10.058 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.344 -12.325 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.073 -11.273 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.730 -11.638 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.394 -11.374 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.783 -10.650 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.163 -9.627 -5.125 1.00 0.00 H new ATOM 561 N TRP A 37 4.667 -6.062 -1.849 1.00 0.00 N ATOM 562 CA TRP A 37 3.689 -5.028 -1.697 1.00 0.00 C ATOM 563 C TRP A 37 4.037 -3.857 -2.588 1.00 0.00 C ATOM 564 O TRP A 37 3.136 -3.281 -3.214 1.00 0.00 O ATOM 565 CB TRP A 37 3.596 -4.578 -0.253 1.00 0.00 C ATOM 566 CG TRP A 37 2.839 -5.533 0.605 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.776 -6.883 0.451 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.032 -5.213 1.738 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.010 -7.439 1.459 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.531 -6.423 2.258 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.696 -4.017 2.370 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.707 -6.458 3.390 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.887 -4.053 3.478 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.401 -5.263 3.983 1.00 0.00 C ATOM 0 H TRP A 37 5.176 -6.315 -1.002 1.00 0.00 H new ATOM 0 HA TRP A 37 2.718 -5.426 -1.991 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.602 -4.455 0.149 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.114 -3.601 -0.213 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.254 -7.439 -0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.830 -8.434 1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.067 -3.075 1.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.328 -7.391 3.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.621 -3.129 3.969 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.229 -5.254 4.860 1.00 0.00 H new ATOM 585 N LEU A 38 5.353 -3.532 -2.700 1.00 0.00 N ATOM 586 CA LEU A 38 5.763 -2.440 -3.560 1.00 0.00 C ATOM 587 C LEU A 38 4.842 -2.460 -4.788 1.00 0.00 C ATOM 588 O LEU A 38 4.210 -1.457 -5.135 1.00 0.00 O ATOM 589 CB LEU A 38 7.228 -2.608 -3.997 1.00 0.00 C ATOM 590 CG LEU A 38 8.276 -2.041 -3.032 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.614 -1.899 -3.738 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.834 -0.696 -2.478 1.00 0.00 C ATOM 0 H LEU A 38 6.112 -4.008 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 38 5.688 -1.491 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.427 -3.670 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.356 -2.128 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 38 8.383 -2.736 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.351 -1.496 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.945 -2.876 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.508 -1.224 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.595 -0.316 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.697 0.008 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.893 -0.815 -1.941 1.00 0.00 H new ATOM 604 N LYS A 39 4.714 -3.657 -5.405 1.00 0.00 N ATOM 605 CA LYS A 39 3.877 -3.840 -6.564 1.00 0.00 C ATOM 606 C LYS A 39 2.464 -3.269 -6.397 1.00 0.00 C ATOM 607 O LYS A 39 2.047 -2.378 -7.150 1.00 0.00 O ATOM 608 CB LYS A 39 3.846 -5.351 -6.867 1.00 0.00 C ATOM 609 CG LYS A 39 4.809 -5.811 -7.956 1.00 0.00 C ATOM 610 CD LYS A 39 6.058 -4.940 -8.042 1.00 0.00 C ATOM 611 CE LYS A 39 5.953 -3.921 -9.165 1.00 0.00 C ATOM 612 NZ LYS A 39 6.463 -2.585 -8.752 1.00 0.00 N ATOM 0 H LYS A 39 5.193 -4.504 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 39 4.298 -3.280 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.072 -5.895 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.833 -5.627 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.103 -6.843 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.296 -5.800 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.208 -4.423 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.932 -5.571 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.517 -4.273 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.913 -3.832 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.970 -2.146 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.665 -1.979 -8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.111 -2.695 -7.946 1.00 0.00 H new ATOM 626 N ASN A 40 1.731 -3.783 -5.422 1.00 0.00 N ATOM 627 CA ASN A 40 0.343 -3.359 -5.190 1.00 0.00 C ATOM 628 C ASN A 40 0.221 -1.870 -4.908 1.00 0.00 C ATOM 629 O ASN A 40 -0.828 -1.266 -5.134 1.00 0.00 O ATOM 630 CB ASN A 40 -0.296 -4.143 -4.025 1.00 0.00 C ATOM 631 CG ASN A 40 0.558 -5.286 -3.501 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.330 -5.897 -4.240 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.408 -5.592 -2.218 1.00 0.00 N ATOM 0 H ASN A 40 2.067 -4.495 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.189 -3.575 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.501 -3.453 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.256 -4.542 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.943 -6.359 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.243 -5.060 -1.640 1.00 0.00 H new ATOM 640 N VAL A 41 1.276 -1.302 -4.375 1.00 0.00 N ATOM 641 CA VAL A 41 1.282 0.104 -4.004 1.00 0.00 C ATOM 642 C VAL A 41 1.498 1.083 -5.169 1.00 0.00 C ATOM 643 O VAL A 41 1.118 2.241 -5.041 1.00 0.00 O ATOM 644 CB VAL A 41 2.287 0.394 -2.863 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.519 1.106 -3.385 1.00 0.00 C ATOM 646 CG2 VAL A 41 1.618 1.216 -1.773 1.00 0.00 C ATOM 0 H VAL A 41 2.151 -1.791 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 41 0.268 0.288 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 41 2.607 -0.559 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.206 1.296 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.011 0.482 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.227 2.053 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.334 1.414 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.270 2.161 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.769 0.663 -1.370 1.00 0.00 H new ATOM 656 N SER A 42 2.129 0.643 -6.279 1.00 0.00 N ATOM 657 CA SER A 42 2.415 1.538 -7.428 1.00 0.00 C ATOM 658 C SER A 42 3.799 1.189 -8.042 1.00 0.00 C ATOM 659 O SER A 42 3.861 0.323 -8.915 1.00 0.00 O ATOM 660 CB SER A 42 2.339 3.051 -7.055 1.00 0.00 C ATOM 661 OG SER A 42 3.335 3.796 -7.736 1.00 0.00 O ATOM 0 H SER A 42 2.449 -0.317 -6.406 1.00 0.00 H new ATOM 0 HA SER A 42 1.635 1.367 -8.170 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.353 3.442 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.464 3.170 -5.979 1.00 0.00 H new ATOM 0 HG SER A 42 3.012 4.708 -7.891 1.00 0.00 H new ATOM 667 N ARG A 43 4.919 1.829 -7.601 1.00 0.00 N ATOM 668 CA ARG A 43 6.228 1.500 -8.157 1.00 0.00 C ATOM 669 C ARG A 43 7.334 1.945 -7.192 1.00 0.00 C ATOM 670 O ARG A 43 7.045 2.554 -6.162 1.00 0.00 O ATOM 671 CB ARG A 43 6.408 2.163 -9.526 1.00 0.00 C ATOM 672 CG ARG A 43 6.853 1.198 -10.615 1.00 0.00 C ATOM 673 CD ARG A 43 8.365 1.184 -10.769 1.00 0.00 C ATOM 674 NE ARG A 43 8.951 -0.075 -10.315 1.00 0.00 N ATOM 675 CZ ARG A 43 10.204 -0.443 -10.570 1.00 0.00 C ATOM 676 NH1 ARG A 43 11.005 0.346 -11.274 1.00 0.00 N ATOM 677 NH2 ARG A 43 10.657 -1.604 -10.117 1.00 0.00 N ATOM 0 H ARG A 43 4.926 2.553 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 43 6.294 0.420 -8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.467 2.625 -9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.142 2.964 -9.439 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.502 0.194 -10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.393 1.481 -11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.624 1.348 -11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.795 2.009 -10.201 1.00 0.00 H new ATOM 0 HE ARG A 43 8.366 -0.709 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.661 1.241 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.964 0.058 -11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.045 -2.213 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.617 -1.888 -10.312 1.00 0.00 H new ATOM 784 N THR A 52 8.077 10.299 -7.272 1.00 0.00 N ATOM 785 CA THR A 52 9.366 10.308 -6.585 1.00 0.00 C ATOM 786 C THR A 52 9.186 10.143 -5.077 1.00 0.00 C ATOM 787 O THR A 52 9.692 10.943 -4.290 1.00 0.00 O ATOM 788 CB THR A 52 10.111 11.611 -6.884 1.00 0.00 C ATOM 789 OG1 THR A 52 9.214 12.705 -6.937 1.00 0.00 O ATOM 790 CG2 THR A 52 10.867 11.572 -8.194 1.00 0.00 C ATOM 0 HA THR A 52 9.953 9.466 -6.952 1.00 0.00 H new ATOM 0 HB THR A 52 10.825 11.731 -6.069 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.300 12.373 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.374 12.524 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.603 10.769 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.169 11.395 -9.012 1.00 0.00 H new ATOM 798 N PHE A 53 8.456 9.101 -4.677 1.00 0.00 N ATOM 799 CA PHE A 53 8.212 8.850 -3.261 1.00 0.00 C ATOM 800 C PHE A 53 9.043 7.673 -2.750 1.00 0.00 C ATOM 801 O PHE A 53 8.519 6.792 -2.071 1.00 0.00 O ATOM 802 CB PHE A 53 6.723 8.599 -3.004 1.00 0.00 C ATOM 803 CG PHE A 53 6.061 7.674 -3.994 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.610 6.434 -4.302 1.00 0.00 C ATOM 805 CD2 PHE A 53 4.876 8.046 -4.610 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.989 5.593 -5.207 1.00 0.00 C ATOM 807 CE2 PHE A 53 4.253 7.208 -5.516 1.00 0.00 C ATOM 808 CZ PHE A 53 4.810 5.982 -5.814 1.00 0.00 C ATOM 0 H PHE A 53 8.028 8.424 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 53 8.518 9.741 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.606 8.183 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.200 9.555 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.531 6.125 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.433 9.004 -4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.425 4.633 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.332 7.513 -5.990 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.325 5.326 -6.522 1.00 0.00 H new ATOM 818 N GLN A 54 10.342 7.684 -3.075 1.00 0.00 N ATOM 819 CA GLN A 54 11.286 6.636 -2.654 1.00 0.00 C ATOM 820 C GLN A 54 10.677 5.705 -1.592 1.00 0.00 C ATOM 821 O GLN A 54 10.292 6.165 -0.518 1.00 0.00 O ATOM 822 CB GLN A 54 12.550 7.298 -2.097 1.00 0.00 C ATOM 823 CG GLN A 54 13.722 6.352 -1.885 1.00 0.00 C ATOM 824 CD GLN A 54 14.845 6.991 -1.089 1.00 0.00 C ATOM 825 OE1 GLN A 54 16.011 6.924 -1.478 1.00 0.00 O ATOM 826 NE2 GLN A 54 14.499 7.618 0.031 1.00 0.00 N ATOM 0 H GLN A 54 10.770 8.419 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 54 11.526 6.025 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.859 8.091 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.307 7.772 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.375 5.459 -1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.105 6.029 -2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.520 7.649 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.212 8.068 0.605 1.00 0.00 H new ATOM 835 N PRO A 55 10.565 4.386 -1.869 1.00 0.00 N ATOM 836 CA PRO A 55 9.979 3.437 -0.917 1.00 0.00 C ATOM 837 C PRO A 55 10.796 3.299 0.359 1.00 0.00 C ATOM 838 O PRO A 55 10.243 3.056 1.432 1.00 0.00 O ATOM 839 CB PRO A 55 9.943 2.108 -1.675 1.00 0.00 C ATOM 840 CG PRO A 55 10.162 2.461 -3.110 1.00 0.00 C ATOM 841 CD PRO A 55 10.980 3.720 -3.115 1.00 0.00 C ATOM 0 HA PRO A 55 8.996 3.773 -0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.717 1.430 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.987 1.603 -1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.681 1.658 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.212 2.613 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.049 3.507 -3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.771 4.334 -3.991 1.00 0.00 H new ATOM 849 N THR A 56 12.112 3.462 0.248 1.00 0.00 N ATOM 850 CA THR A 56 12.991 3.364 1.410 1.00 0.00 C ATOM 851 C THR A 56 12.401 4.166 2.584 1.00 0.00 C ATOM 852 O THR A 56 12.427 3.703 3.723 1.00 0.00 O ATOM 853 CB THR A 56 14.385 3.896 1.073 1.00 0.00 C ATOM 854 OG1 THR A 56 14.387 5.310 1.042 1.00 0.00 O ATOM 855 CG2 THR A 56 14.913 3.406 -0.258 1.00 0.00 C ATOM 0 H THR A 56 12.591 3.662 -0.630 1.00 0.00 H new ATOM 0 HA THR A 56 13.074 2.315 1.694 1.00 0.00 H new ATOM 0 HB THR A 56 15.035 3.516 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.244 5.643 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.905 3.823 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.973 2.318 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.241 3.724 -1.055 1.00 0.00 H new ATOM 863 N THR A 57 11.854 5.376 2.306 1.00 0.00 N ATOM 864 CA THR A 57 11.264 6.198 3.355 1.00 0.00 C ATOM 865 C THR A 57 10.262 5.398 4.185 1.00 0.00 C ATOM 866 O THR A 57 10.048 5.689 5.363 1.00 0.00 O ATOM 867 CB THR A 57 10.565 7.415 2.742 1.00 0.00 C ATOM 868 OG1 THR A 57 10.114 8.295 3.756 1.00 0.00 O ATOM 869 CG2 THR A 57 9.368 7.052 1.883 1.00 0.00 C ATOM 0 H THR A 57 11.816 5.787 1.373 1.00 0.00 H new ATOM 0 HA THR A 57 12.069 6.531 4.011 1.00 0.00 H new ATOM 0 HB THR A 57 11.314 7.890 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.671 9.067 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.920 7.961 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.690 6.412 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.632 6.523 2.489 1.00 0.00 H new ATOM 877 N GLY A 58 9.642 4.395 3.565 1.00 0.00 N ATOM 878 CA GLY A 58 8.666 3.585 4.271 1.00 0.00 C ATOM 879 C GLY A 58 7.276 3.650 3.621 1.00 0.00 C ATOM 880 O GLY A 58 6.439 4.427 4.080 1.00 0.00 O ATOM 0 H GLY A 58 9.798 4.131 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.005 2.549 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.597 3.922 5.305 1.00 0.00 H new ATOM 884 N HIS A 59 6.996 2.868 2.555 1.00 0.00 N ATOM 885 CA HIS A 59 5.682 2.934 1.922 1.00 0.00 C ATOM 886 C HIS A 59 4.657 2.123 2.706 1.00 0.00 C ATOM 887 O HIS A 59 4.888 0.968 3.069 1.00 0.00 O ATOM 888 CB HIS A 59 5.746 2.455 0.468 1.00 0.00 C ATOM 889 CG HIS A 59 5.536 3.558 -0.525 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.303 4.703 -0.539 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.637 3.699 -1.533 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.890 5.498 -1.506 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.881 4.913 -2.126 1.00 0.00 N ATOM 0 H HIS A 59 7.647 2.206 2.133 1.00 0.00 H new ATOM 0 HA HIS A 59 5.366 3.977 1.923 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.716 1.991 0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.990 1.685 0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.873 2.989 -1.815 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.306 6.464 -1.750 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.367 5.300 -2.917 1.00 0.00 H new ATOM 902 N ARG A 60 3.534 2.771 2.980 1.00 0.00 N ATOM 903 CA ARG A 60 2.438 2.189 3.744 1.00 0.00 C ATOM 904 C ARG A 60 1.194 2.004 2.818 1.00 0.00 C ATOM 905 O ARG A 60 1.205 2.488 1.685 1.00 0.00 O ATOM 906 CB ARG A 60 2.185 3.121 4.939 1.00 0.00 C ATOM 907 CG ARG A 60 1.726 4.516 4.533 1.00 0.00 C ATOM 908 CD ARG A 60 1.686 5.474 5.719 1.00 0.00 C ATOM 909 NE ARG A 60 1.578 4.776 7.003 1.00 0.00 N ATOM 910 CZ ARG A 60 2.626 4.342 7.703 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.861 4.530 7.257 1.00 0.00 N ATOM 912 NH2 ARG A 60 2.436 3.716 8.858 1.00 0.00 N ATOM 0 H ARG A 60 3.355 3.728 2.675 1.00 0.00 H new ATOM 0 HA ARG A 60 2.672 1.195 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.431 2.673 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.100 3.204 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.398 4.911 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.735 4.455 4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.588 6.087 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.840 6.152 5.606 1.00 0.00 H new ATOM 0 HE ARG A 60 0.646 4.613 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.016 5.011 6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.656 4.194 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.490 3.568 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.237 3.383 9.395 1.00 0.00 H new ATOM 926 N LEU A 61 0.161 1.255 3.258 1.00 0.00 N ATOM 927 CA LEU A 61 -1.031 0.960 2.415 1.00 0.00 C ATOM 928 C LEU A 61 -2.357 1.527 3.027 1.00 0.00 C ATOM 929 O LEU A 61 -2.375 1.844 4.213 1.00 0.00 O ATOM 930 CB LEU A 61 -1.158 -0.557 2.215 1.00 0.00 C ATOM 931 CG LEU A 61 -0.087 -1.238 1.336 1.00 0.00 C ATOM 932 CD1 LEU A 61 -0.706 -2.050 0.219 1.00 0.00 C ATOM 933 CD2 LEU A 61 0.878 -0.237 0.740 1.00 0.00 C ATOM 0 H LEU A 61 0.123 0.841 4.190 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.882 1.457 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.143 -1.031 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.135 -0.761 1.778 1.00 0.00 H new ATOM 0 HG LEU A 61 0.461 -1.906 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.083 -2.512 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.343 -2.826 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.304 -1.397 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.614 -0.760 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.330 0.472 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.387 0.299 1.541 1.00 0.00 H new ATOM 945 N CYS A 62 -3.465 1.710 2.228 1.00 0.00 N ATOM 946 CA CYS A 62 -4.706 2.295 2.781 1.00 0.00 C ATOM 947 C CYS A 62 -5.832 1.255 3.084 1.00 0.00 C ATOM 948 O CYS A 62 -5.831 0.129 2.608 1.00 0.00 O ATOM 949 CB CYS A 62 -5.142 3.546 1.925 1.00 0.00 C ATOM 950 SG CYS A 62 -5.803 3.306 0.260 1.00 0.00 S ATOM 0 H CYS A 62 -3.510 1.466 1.239 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.487 2.666 3.782 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.894 4.087 2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.275 4.200 1.840 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.625 4.388 -0.438 1.00 0.00 H new ATOM 955 N SER A 63 -6.709 1.651 4.014 1.00 0.00 N ATOM 956 CA SER A 63 -7.806 0.875 4.587 1.00 0.00 C ATOM 957 C SER A 63 -8.482 -0.223 3.739 1.00 0.00 C ATOM 958 O SER A 63 -8.251 -1.420 3.912 1.00 0.00 O ATOM 959 CB SER A 63 -8.883 1.893 5.009 1.00 0.00 C ATOM 960 OG SER A 63 -9.079 1.887 6.412 1.00 0.00 O ATOM 0 H SER A 63 -6.664 2.589 4.412 1.00 0.00 H new ATOM 0 HA SER A 63 -7.343 0.299 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.589 2.891 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.822 1.660 4.508 1.00 0.00 H new ATOM 0 HG SER A 63 -9.766 2.544 6.649 1.00 0.00 H new ATOM 966 N VAL A 64 -9.436 0.242 2.963 1.00 0.00 N ATOM 967 CA VAL A 64 -10.384 -0.564 2.167 1.00 0.00 C ATOM 968 C VAL A 64 -9.855 -1.649 1.214 1.00 0.00 C ATOM 969 O VAL A 64 -10.520 -1.960 0.225 1.00 0.00 O ATOM 970 CB VAL A 64 -11.266 0.403 1.380 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.136 1.211 2.328 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.391 1.330 0.572 1.00 0.00 C ATOM 0 H VAL A 64 -9.594 1.244 2.853 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.899 -1.161 2.919 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.913 -0.165 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.760 1.896 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.771 0.537 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.502 1.780 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.017 2.022 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.740 1.892 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.783 0.746 -0.119 1.00 0.00 H new ATOM 982 N HIS A 65 -8.711 -2.241 1.489 1.00 0.00 N ATOM 983 CA HIS A 65 -8.194 -3.313 0.600 1.00 0.00 C ATOM 984 C HIS A 65 -8.507 -4.731 1.099 1.00 0.00 C ATOM 985 O HIS A 65 -9.051 -5.538 0.344 1.00 0.00 O ATOM 986 CB HIS A 65 -6.695 -3.214 0.400 1.00 0.00 C ATOM 987 CG HIS A 65 -6.201 -1.832 0.381 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.031 -0.749 0.347 1.00 0.00 N ATOM 989 CD2 HIS A 65 -4.962 -1.363 0.513 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.323 0.334 0.484 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.051 -0.007 0.601 1.00 0.00 N ATOM 0 H HIS A 65 -8.121 -2.022 2.292 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.715 -3.150 -0.343 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.192 -3.761 1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.428 -3.701 -0.538 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.044 -0.783 0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.055 -1.949 0.544 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.710 1.342 0.500 1.00 0.00 H new ATOM 999 N PHE A 66 -8.144 -5.064 2.348 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.378 -6.396 2.859 1.00 0.00 C ATOM 1001 C PHE A 66 -9.885 -6.623 3.005 1.00 0.00 C ATOM 1002 O PHE A 66 -10.657 -5.671 2.884 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.657 -6.577 4.207 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.334 -5.856 4.292 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.170 -6.469 3.857 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -6.251 -4.567 4.802 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -3.955 -5.817 3.927 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -5.034 -3.908 4.872 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.884 -4.536 4.435 1.00 0.00 C ATOM 0 H PHE A 66 -7.693 -4.427 3.005 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.979 -7.134 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.306 -6.220 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.492 -7.640 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.214 -7.471 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.146 -4.072 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.058 -6.311 3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.985 -2.904 5.268 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.933 -4.027 4.491 1.00 0.00 H new ATOM 1019 N GLN A 67 -10.324 -7.856 3.278 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.744 -8.102 3.442 1.00 0.00 C ATOM 1021 C GLN A 67 -12.107 -7.830 4.927 1.00 0.00 C ATOM 1022 O GLN A 67 -11.236 -8.019 5.776 1.00 0.00 O ATOM 1023 CB GLN A 67 -12.121 -9.535 3.030 1.00 0.00 C ATOM 1024 CG GLN A 67 -10.947 -10.499 2.910 1.00 0.00 C ATOM 1025 CD GLN A 67 -10.347 -10.859 4.257 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -9.375 -10.247 4.700 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -10.925 -11.859 4.911 1.00 0.00 N ATOM 0 H GLN A 67 -9.726 -8.676 3.386 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.311 -7.437 2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.826 -9.933 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.640 -9.497 2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.278 -11.409 2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.177 -10.052 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.729 -12.337 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.565 -12.149 5.820 1.00 0.00 H new ATOM 1036 N GLY A 68 -13.347 -7.385 5.278 1.00 0.00 N ATOM 1037 CA GLY A 68 -13.677 -7.116 6.687 1.00 0.00 C ATOM 1038 C GLY A 68 -12.470 -7.094 7.657 1.00 0.00 C ATOM 1039 O GLY A 68 -12.276 -8.069 8.379 1.00 0.00 O ATOM 0 H GLY A 68 -14.106 -7.213 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.187 -6.155 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.383 -7.873 7.029 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.671 -5.990 7.691 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.514 -5.876 8.593 1.00 0.00 C ATOM 1045 C GLY A 69 -9.994 -7.190 9.165 1.00 0.00 C ATOM 1046 O GLY A 69 -10.687 -7.851 9.939 1.00 0.00 O ATOM 0 H GLY A 69 -11.817 -5.172 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.702 -5.388 8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.785 -5.221 9.421 1.00 0.00 H new ATOM 1050 N ARG A 70 -8.758 -7.552 8.806 1.00 0.00 N ATOM 1051 CA ARG A 70 -8.131 -8.777 9.299 1.00 0.00 C ATOM 1052 C ARG A 70 -6.948 -9.129 8.414 1.00 0.00 C ATOM 1053 O ARG A 70 -5.875 -9.484 8.899 1.00 0.00 O ATOM 1054 CB ARG A 70 -9.142 -9.936 9.344 1.00 0.00 C ATOM 1055 CG ARG A 70 -8.547 -11.308 9.067 1.00 0.00 C ATOM 1056 CD ARG A 70 -9.536 -12.421 9.376 1.00 0.00 C ATOM 1057 NE ARG A 70 -9.422 -12.885 10.757 1.00 0.00 N ATOM 1058 CZ ARG A 70 -10.146 -12.407 11.769 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -11.037 -11.445 11.566 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -9.975 -12.894 12.991 1.00 0.00 N ATOM 0 H ARG A 70 -8.172 -7.009 8.172 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.780 -8.609 10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.614 -9.951 10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.929 -9.742 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.244 -11.369 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.647 -11.443 9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.550 -12.065 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.365 -13.257 8.697 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.746 -13.621 10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.173 -11.065 10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.586 -11.086 12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.291 -13.633 13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.528 -12.530 13.767 1.00 0.00 H new ATOM 1074 N LYS A 71 -7.152 -9.003 7.110 1.00 0.00 N ATOM 1075 CA LYS A 71 -6.102 -9.278 6.145 1.00 0.00 C ATOM 1076 C LYS A 71 -5.643 -10.732 6.222 1.00 0.00 C ATOM 1077 O LYS A 71 -4.522 -11.012 6.639 1.00 0.00 O ATOM 1078 CB LYS A 71 -4.931 -8.325 6.398 1.00 0.00 C ATOM 1079 CG LYS A 71 -3.675 -8.611 5.582 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.525 -7.679 5.958 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.411 -7.474 7.462 1.00 0.00 C ATOM 1082 NZ LYS A 71 -1.581 -6.285 7.799 1.00 0.00 N ATOM 0 H LYS A 71 -8.038 -8.711 6.697 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.493 -9.118 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.259 -7.307 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.674 -8.363 7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.369 -9.646 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.899 -8.501 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.589 -8.090 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.670 -6.714 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.407 -7.354 7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.974 -8.363 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.570 -6.150 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.609 -6.432 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.983 -5.441 7.344 1.00 0.00 H new ATOM 1096 N THR A 72 -6.517 -11.651 5.813 1.00 0.00 N ATOM 1097 CA THR A 72 -6.197 -13.076 5.828 1.00 0.00 C ATOM 1098 C THR A 72 -7.361 -13.908 5.298 1.00 0.00 C ATOM 1099 O THR A 72 -8.351 -13.368 4.806 1.00 0.00 O ATOM 1100 CB THR A 72 -5.842 -13.533 7.245 1.00 0.00 C ATOM 1101 OG1 THR A 72 -6.592 -12.820 8.207 1.00 0.00 O ATOM 1102 CG2 THR A 72 -4.384 -13.346 7.575 1.00 0.00 C ATOM 0 H THR A 72 -7.452 -11.433 5.467 1.00 0.00 H new ATOM 0 HA THR A 72 -5.337 -13.227 5.176 1.00 0.00 H new ATOM 0 HB THR A 72 -6.077 -14.597 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.025 -12.620 8.981 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.194 -13.688 8.592 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.776 -13.924 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.125 -12.290 7.493 1.00 0.00 H new ATOM 1110 N TYR A 73 -7.225 -15.234 5.406 1.00 0.00 N ATOM 1111 CA TYR A 73 -8.250 -16.175 4.950 1.00 0.00 C ATOM 1112 C TYR A 73 -8.126 -16.470 3.453 1.00 0.00 C ATOM 1113 O TYR A 73 -8.716 -17.430 2.959 1.00 0.00 O ATOM 1114 CB TYR A 73 -9.659 -15.653 5.269 1.00 0.00 C ATOM 1115 CG TYR A 73 -10.537 -16.664 5.974 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -10.623 -17.976 5.522 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -11.279 -16.306 7.092 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -11.425 -18.901 6.164 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -12.083 -17.226 7.740 1.00 0.00 C ATOM 1120 CZ TYR A 73 -12.152 -18.521 7.272 1.00 0.00 C ATOM 1121 OH TYR A 73 -12.950 -19.440 7.914 1.00 0.00 O ATOM 0 H TYR A 73 -6.403 -15.683 5.811 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.089 -17.107 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.575 -14.762 5.891 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.143 -15.349 4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.054 -18.277 4.655 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.227 -15.292 7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.482 -19.916 5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.654 -16.932 8.608 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.393 -19.012 8.676 1.00 0.00 H new ATOM 1131 N THR A 74 -7.363 -15.649 2.732 1.00 0.00 N ATOM 1132 CA THR A 74 -7.182 -15.847 1.294 1.00 0.00 C ATOM 1133 C THR A 74 -6.241 -14.807 0.700 1.00 0.00 C ATOM 1134 O THR A 74 -5.392 -15.122 -0.134 1.00 0.00 O ATOM 1135 CB THR A 74 -8.527 -15.764 0.562 1.00 0.00 C ATOM 1136 OG1 THR A 74 -9.593 -15.523 1.468 1.00 0.00 O ATOM 1137 CG2 THR A 74 -8.860 -17.017 -0.224 1.00 0.00 C ATOM 0 H THR A 74 -6.864 -14.847 3.116 1.00 0.00 H new ATOM 0 HA THR A 74 -6.747 -16.838 1.163 1.00 0.00 H new ATOM 0 HB THR A 74 -8.418 -14.934 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.438 -15.474 0.974 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.824 -16.892 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.089 -17.192 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.907 -17.870 0.453 1.00 0.00 H new ATOM 1145 N VAL A 75 -6.430 -13.562 1.109 1.00 0.00 N ATOM 1146 CA VAL A 75 -5.635 -12.456 0.593 1.00 0.00 C ATOM 1147 C VAL A 75 -4.364 -12.222 1.410 1.00 0.00 C ATOM 1148 O VAL A 75 -4.425 -12.055 2.629 1.00 0.00 O ATOM 1149 CB VAL A 75 -6.459 -11.151 0.567 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -6.022 -10.281 -0.595 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -7.952 -11.441 0.474 1.00 0.00 C ATOM 0 H VAL A 75 -7.130 -13.290 1.800 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.346 -12.734 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.277 -10.619 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.610 -9.363 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.966 -10.034 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.176 -10.819 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.505 -10.502 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.158 -11.999 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.263 -12.030 1.337 1.00 0.00 H new ATOM 1161 N ARG A 76 -3.209 -12.200 0.733 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.936 -11.971 1.411 1.00 0.00 C ATOM 1163 C ARG A 76 -1.380 -10.581 1.089 1.00 0.00 C ATOM 1164 O ARG A 76 -0.850 -9.901 1.967 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.918 -13.052 1.032 1.00 0.00 C ATOM 1166 CG ARG A 76 0.318 -13.063 1.919 1.00 0.00 C ATOM 1167 CD ARG A 76 -0.052 -13.086 3.395 1.00 0.00 C ATOM 1168 NE ARG A 76 0.955 -13.772 4.202 1.00 0.00 N ATOM 1169 CZ ARG A 76 2.046 -13.183 4.689 1.00 0.00 C ATOM 1170 NH1 ARG A 76 2.281 -11.899 4.447 1.00 0.00 N ATOM 1171 NH2 ARG A 76 2.906 -13.881 5.417 1.00 0.00 N ATOM 0 H ARG A 76 -3.134 -12.337 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.117 -12.024 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.401 -14.028 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.611 -12.903 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.928 -13.935 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.925 -12.182 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.170 -12.064 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.015 -13.581 3.520 1.00 0.00 H new ATOM 0 HE ARG A 76 0.814 -14.762 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.624 -11.357 3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.118 -11.454 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.732 -14.869 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.742 -13.431 5.790 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.507 -10.160 -0.170 1.00 0.00 N ATOM 1186 CA VAL A 77 -1.019 -8.846 -0.589 1.00 0.00 C ATOM 1187 C VAL A 77 -2.202 -7.946 -0.993 1.00 0.00 C ATOM 1188 O VAL A 77 -3.041 -8.354 -1.796 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.008 -8.991 -1.767 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.903 -10.189 -1.542 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.724 -9.119 -3.099 1.00 0.00 C ATOM 0 H VAL A 77 -1.941 -10.707 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.500 -8.380 0.249 1.00 0.00 H new ATOM 0 HB VAL A 77 0.598 -8.086 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.602 -10.276 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.458 -10.055 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.302 -11.096 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.010 -9.218 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.366 -10.000 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.331 -8.231 -3.272 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.312 -6.726 -0.411 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.417 -5.776 -0.675 1.00 0.00 C ATOM 1203 C PRO A 78 -3.728 -5.413 -2.094 1.00 0.00 C ATOM 1204 O PRO A 78 -4.045 -4.243 -2.329 1.00 0.00 O ATOM 1205 CB PRO A 78 -2.919 -4.516 0.015 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.238 -5.058 1.199 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.403 -6.154 0.618 1.00 0.00 C ATOM 0 HA PRO A 78 -4.345 -6.237 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.240 -3.946 -0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.738 -3.850 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.629 -4.304 1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.946 -5.435 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.480 -5.775 0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.120 -6.893 1.368 1.00 0.00 H new ATOM 1215 N THR A 79 -3.754 -6.324 -3.053 1.00 0.00 N ATOM 1216 CA THR A 79 -4.172 -5.813 -4.322 1.00 0.00 C ATOM 1217 C THR A 79 -5.620 -6.228 -4.550 1.00 0.00 C ATOM 1218 O THR A 79 -5.921 -7.374 -4.887 1.00 0.00 O ATOM 1219 CB THR A 79 -3.265 -6.360 -5.458 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.846 -7.497 -6.071 1.00 0.00 O ATOM 1221 CG2 THR A 79 -1.879 -6.764 -5.000 1.00 0.00 C ATOM 0 H THR A 79 -3.517 -7.314 -2.986 1.00 0.00 H new ATOM 0 HA THR A 79 -4.090 -4.726 -4.329 1.00 0.00 H new ATOM 0 HB THR A 79 -3.173 -5.527 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.420 -7.959 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.308 -7.135 -5.851 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.371 -5.900 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.959 -7.548 -4.247 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.498 -5.233 -4.467 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.906 -5.395 -4.772 1.00 0.00 C ATOM 1231 C ILE A 80 -8.230 -4.333 -5.819 1.00 0.00 C ATOM 1232 O ILE A 80 -8.465 -3.190 -5.452 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.780 -5.256 -3.475 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.413 -6.607 -3.094 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.864 -4.191 -3.604 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -8.875 -7.202 -1.809 1.00 0.00 C ATOM 0 H ILE A 80 -6.245 -4.286 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.130 -6.388 -5.160 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.104 -4.936 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.491 -6.477 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.249 -7.315 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.436 -4.140 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.402 -3.223 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.530 -4.448 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.372 -8.152 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.802 -7.367 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.064 -6.516 -0.983 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.240 -4.664 -7.103 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.518 -3.645 -8.116 1.00 0.00 C ATOM 1250 C PHE A 81 -8.959 -4.296 -9.423 1.00 0.00 C ATOM 1251 O PHE A 81 -8.444 -5.387 -9.743 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.275 -2.735 -8.377 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.378 -2.458 -7.174 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.869 -1.818 -6.042 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.040 -2.851 -7.176 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.063 -1.593 -4.940 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.223 -2.612 -6.071 1.00 0.00 C ATOM 1258 CZ PHE A 81 -4.743 -1.988 -4.949 1.00 0.00 C ATOM 1259 OXT PHE A 81 -9.818 -3.707 -10.115 1.00 0.00 O ATOM 0 H PHE A 81 -8.065 -5.601 -7.465 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.324 -3.019 -7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.670 -3.197 -9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.626 -1.781 -8.770 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.898 -1.491 -6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.631 -3.347 -8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.471 -1.105 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.186 -2.913 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.117 -1.812 -4.086 1.00 0.00 H new