USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 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 106 THR OG1 : rot 174:sc= -0.238 USER MOD Set 1.2: A 115 THR OG1 : rot -125:sc= -3.62! USER MOD Set 2.1: A 44 TYR OH : rot 27:sc= 0.943 USER MOD Set 2.2: A 114 CYS SG : rot -118:sc= 2.29 USER MOD Set 3.1: A 49 ASN : amide:sc= -3.79 K(o=-9.8,f=-12!) USER MOD Set 3.2: A 53 GLN : amide:sc= -5.12! C(o=-9.8!,f=-6.3!) USER MOD Set 3.3: A 65 MET CE :methyl -149:sc= -0.883 (180deg=-2.89!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.295 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 15:sc= -9.76! USER MOD Single : A 28 SER OG : rot 180:sc= -2.13 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0488 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -2.9 K(o=-2.9,f=-8.8!) USER MOD Single : A 43 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.035) USER MOD Single : A 46 ASN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 51 SER OG : rot 170:sc= -1.44 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 92 MET CE :methyl -148:sc= -3.11 (180deg=-7.72!) USER MOD Single : A 94 HIS : no HE2:sc= -6.19 K(o=-6.2,f=-9.4!) USER MOD Single : A 96 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00291) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 107 LYS NZ :NH3+ 166:sc= -0.827 (180deg=-1.27) USER MOD Single : A 112 SER OG : rot 40:sc= 0.679 USER MOD Single : A 117 CYS SG : rot -157:sc= -2.5 USER MOD Single : A 121 LYS NZ :NH3+ -110:sc= 0.854 (180deg=-0.0248) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.347 15.509 -2.177 1.00 0.00 N ATOM 2 CA GLY A 1 -12.821 15.256 -0.807 1.00 0.00 C ATOM 3 C GLY A 1 -13.247 16.320 0.185 1.00 0.00 C ATOM 4 O GLY A 1 -13.271 17.507 -0.141 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.027 14.754 -2.817 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.387 15.525 -2.152 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.995 16.425 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.169 14.282 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.732 15.212 -0.842 1.00 0.00 H new ATOM 10 N LEU A 2 -13.580 15.895 1.401 1.00 0.00 N ATOM 11 CA LEU A 2 -14.004 16.823 2.447 1.00 0.00 C ATOM 12 C LEU A 2 -13.174 16.618 3.713 1.00 0.00 C ATOM 13 O LEU A 2 -12.229 17.362 3.970 1.00 0.00 O ATOM 14 CB LEU A 2 -15.505 16.667 2.763 1.00 0.00 C ATOM 15 CG LEU A 2 -16.298 15.724 1.847 1.00 0.00 C ATOM 16 CD1 LEU A 2 -16.197 16.170 0.395 1.00 0.00 C ATOM 17 CD2 LEU A 2 -15.822 14.284 2.007 1.00 0.00 C ATOM 0 H LEU A 2 -13.565 14.916 1.687 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.841 17.835 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -15.604 16.311 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -15.968 17.653 2.722 1.00 0.00 H new ATOM 0 HG LEU A 2 -17.346 15.767 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -16.766 15.487 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -16.600 17.178 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -15.152 16.165 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.399 13.635 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.766 14.219 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.961 13.968 3.041 1.00 0.00 H new ATOM 29 N THR A 3 -13.526 15.602 4.495 1.00 0.00 N ATOM 30 CA THR A 3 -12.803 15.301 5.724 1.00 0.00 C ATOM 31 C THR A 3 -11.638 14.366 5.434 1.00 0.00 C ATOM 32 O THR A 3 -10.589 14.445 6.071 1.00 0.00 O ATOM 33 CB THR A 3 -13.737 14.663 6.753 1.00 0.00 C ATOM 34 OG1 THR A 3 -14.216 13.412 6.290 1.00 0.00 O ATOM 35 CG2 THR A 3 -14.938 15.520 7.080 1.00 0.00 C ATOM 0 H THR A 3 -14.306 14.975 4.299 1.00 0.00 H new ATOM 0 HA THR A 3 -12.417 16.235 6.133 1.00 0.00 H new ATOM 0 HB THR A 3 -13.136 14.546 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.810 13.020 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.560 15.010 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.604 16.475 7.487 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.518 15.695 6.174 1.00 0.00 H new ATOM 43 N ALA A 4 -11.834 13.482 4.461 1.00 0.00 N ATOM 44 CA ALA A 4 -10.801 12.533 4.078 1.00 0.00 C ATOM 45 C ALA A 4 -9.664 13.234 3.341 1.00 0.00 C ATOM 46 O ALA A 4 -8.528 12.760 3.336 1.00 0.00 O ATOM 47 CB ALA A 4 -11.392 11.428 3.216 1.00 0.00 C ATOM 0 H ALA A 4 -12.699 13.405 3.925 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.393 12.088 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.607 10.725 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.166 10.904 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.827 11.862 2.316 1.00 0.00 H new ATOM 53 N THR A 5 -9.980 14.365 2.719 1.00 0.00 N ATOM 54 CA THR A 5 -8.990 15.136 1.978 1.00 0.00 C ATOM 55 C THR A 5 -8.667 16.442 2.699 1.00 0.00 C ATOM 56 O THR A 5 -7.549 16.949 2.615 1.00 0.00 O ATOM 57 CB THR A 5 -9.501 15.428 0.565 1.00 0.00 C ATOM 58 OG1 THR A 5 -9.691 14.226 -0.159 1.00 0.00 O ATOM 59 CG2 THR A 5 -8.570 16.307 -0.242 1.00 0.00 C ATOM 0 H THR A 5 -10.917 14.768 2.714 1.00 0.00 H new ATOM 0 HA THR A 5 -8.076 14.546 1.912 1.00 0.00 H new ATOM 0 HB THR A 5 -10.443 15.958 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.705 14.421 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.994 16.473 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.444 17.264 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.601 15.817 -0.340 1.00 0.00 H new ATOM 67 N LEU A 6 -9.656 16.983 3.405 1.00 0.00 N ATOM 68 CA LEU A 6 -9.479 18.231 4.138 1.00 0.00 C ATOM 69 C LEU A 6 -9.153 19.384 3.190 1.00 0.00 C ATOM 70 O LEU A 6 -8.636 20.419 3.612 1.00 0.00 O ATOM 71 CB LEU A 6 -8.366 18.084 5.178 1.00 0.00 C ATOM 72 CG LEU A 6 -8.501 16.871 6.104 1.00 0.00 C ATOM 73 CD1 LEU A 6 -7.243 16.019 6.060 1.00 0.00 C ATOM 74 CD2 LEU A 6 -8.795 17.315 7.530 1.00 0.00 C ATOM 0 H LEU A 6 -10.588 16.576 3.484 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.417 18.457 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.410 18.021 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.338 18.987 5.788 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.337 16.266 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.360 15.163 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.077 15.668 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.389 16.614 6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.887 16.439 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.981 17.945 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.727 17.880 7.550 1.00 0.00 H new ATOM 86 N ALA A 7 -9.457 19.201 1.906 1.00 0.00 N ATOM 87 CA ALA A 7 -9.194 20.225 0.902 1.00 0.00 C ATOM 88 C ALA A 7 -7.699 20.521 0.783 1.00 0.00 C ATOM 89 O ALA A 7 -7.307 21.537 0.207 1.00 0.00 O ATOM 90 CB ALA A 7 -9.959 21.497 1.234 1.00 0.00 C ATOM 0 H ALA A 7 -9.886 18.352 1.538 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.536 19.845 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.754 22.253 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.028 21.284 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.645 21.866 2.210 1.00 0.00 H new ATOM 96 N ALA A 8 -6.869 19.631 1.327 1.00 0.00 N ATOM 97 CA ALA A 8 -5.417 19.798 1.280 1.00 0.00 C ATOM 98 C ALA A 8 -4.724 18.812 2.214 1.00 0.00 C ATOM 99 O ALA A 8 -4.636 19.042 3.420 1.00 0.00 O ATOM 100 CB ALA A 8 -5.026 21.226 1.642 1.00 0.00 C ATOM 0 H ALA A 8 -7.179 18.785 1.806 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.091 19.594 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.942 21.328 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.483 21.919 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.374 21.454 2.650 1.00 0.00 H new ATOM 106 N LEU A 9 -4.232 17.714 1.651 1.00 0.00 N ATOM 107 CA LEU A 9 -3.545 16.695 2.435 1.00 0.00 C ATOM 108 C LEU A 9 -2.071 17.042 2.606 1.00 0.00 C ATOM 109 O LEU A 9 -1.422 17.514 1.672 1.00 0.00 O ATOM 110 CB LEU A 9 -3.686 15.327 1.766 1.00 0.00 C ATOM 111 CG LEU A 9 -5.124 14.866 1.530 1.00 0.00 C ATOM 112 CD1 LEU A 9 -5.164 13.756 0.492 1.00 0.00 C ATOM 113 CD2 LEU A 9 -5.756 14.402 2.834 1.00 0.00 C ATOM 0 H LEU A 9 -4.296 17.507 0.654 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.007 16.658 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.167 15.353 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.179 14.584 2.382 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.699 15.711 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.196 13.440 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.751 14.122 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.574 12.909 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.780 14.077 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.181 13.571 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.761 15.225 3.549 1.00 0.00 H new ATOM 125 N THR A 10 -1.547 16.806 3.804 1.00 0.00 N ATOM 126 CA THR A 10 -0.149 17.095 4.096 1.00 0.00 C ATOM 127 C THR A 10 0.774 16.152 3.329 1.00 0.00 C ATOM 128 O THR A 10 0.332 15.134 2.798 1.00 0.00 O ATOM 129 CB THR A 10 0.114 16.980 5.599 1.00 0.00 C ATOM 130 OG1 THR A 10 1.439 17.374 5.910 1.00 0.00 O ATOM 131 CG2 THR A 10 -0.090 15.580 6.137 1.00 0.00 C ATOM 0 H THR A 10 -2.070 16.415 4.588 1.00 0.00 H new ATOM 0 HA THR A 10 0.060 18.116 3.776 1.00 0.00 H new ATOM 0 HB THR A 10 -0.613 17.641 6.070 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.586 17.294 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.113 15.569 7.208 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.119 15.268 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.589 14.893 5.632 1.00 0.00 H new ATOM 139 N ASP A 11 2.057 16.498 3.277 1.00 0.00 N ATOM 140 CA ASP A 11 3.042 15.682 2.574 1.00 0.00 C ATOM 141 C ASP A 11 3.050 14.252 3.107 1.00 0.00 C ATOM 142 O ASP A 11 3.350 13.309 2.375 1.00 0.00 O ATOM 143 CB ASP A 11 4.435 16.298 2.711 1.00 0.00 C ATOM 144 CG ASP A 11 4.886 16.392 4.155 1.00 0.00 C ATOM 145 OD1 ASP A 11 5.504 15.426 4.649 1.00 0.00 O ATOM 146 OD2 ASP A 11 4.621 17.433 4.793 1.00 0.00 O ATOM 0 H ASP A 11 2.439 17.337 3.713 1.00 0.00 H new ATOM 0 HA ASP A 11 2.766 15.654 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.151 15.699 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.434 17.294 2.268 1.00 0.00 H new ATOM 151 N ASP A 12 2.719 14.101 4.385 1.00 0.00 N ATOM 152 CA ASP A 12 2.688 12.785 5.014 1.00 0.00 C ATOM 153 C ASP A 12 1.684 11.873 4.315 1.00 0.00 C ATOM 154 O ASP A 12 1.939 10.683 4.126 1.00 0.00 O ATOM 155 CB ASP A 12 2.334 12.915 6.499 1.00 0.00 C ATOM 156 CG ASP A 12 3.401 12.325 7.400 1.00 0.00 C ATOM 157 OD1 ASP A 12 4.356 13.052 7.744 1.00 0.00 O ATOM 158 OD2 ASP A 12 3.281 11.135 7.762 1.00 0.00 O ATOM 0 H ASP A 12 2.469 14.872 5.005 1.00 0.00 H new ATOM 0 HA ASP A 12 3.679 12.341 4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.195 13.967 6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.384 12.415 6.689 1.00 0.00 H new ATOM 163 N ASP A 13 0.545 12.439 3.933 1.00 0.00 N ATOM 164 CA ASP A 13 -0.497 11.677 3.253 1.00 0.00 C ATOM 165 C ASP A 13 0.015 11.123 1.927 1.00 0.00 C ATOM 166 O ASP A 13 -0.111 9.931 1.650 1.00 0.00 O ATOM 167 CB ASP A 13 -1.726 12.556 3.011 1.00 0.00 C ATOM 168 CG ASP A 13 -3.002 11.746 2.892 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.267 11.212 1.794 1.00 0.00 O ATOM 170 OD2 ASP A 13 -3.737 11.644 3.897 1.00 0.00 O ATOM 0 H ASP A 13 0.319 13.422 4.082 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.778 10.841 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.826 13.269 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.581 13.136 2.100 1.00 0.00 H new ATOM 175 N PHE A 14 0.594 11.999 1.112 1.00 0.00 N ATOM 176 CA PHE A 14 1.127 11.600 -0.186 1.00 0.00 C ATOM 177 C PHE A 14 2.386 10.754 -0.021 1.00 0.00 C ATOM 178 O PHE A 14 2.701 9.924 -0.874 1.00 0.00 O ATOM 179 CB PHE A 14 1.430 12.832 -1.039 1.00 0.00 C ATOM 180 CG PHE A 14 0.198 13.529 -1.545 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.524 13.003 -2.606 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.239 14.706 -0.959 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.659 13.641 -3.072 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.372 15.348 -1.422 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.083 14.814 -2.479 1.00 0.00 C ATOM 0 H PHE A 14 0.706 12.990 1.327 1.00 0.00 H new ATOM 0 HA PHE A 14 0.372 10.998 -0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.020 13.535 -0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.044 12.534 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.196 12.086 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.312 15.127 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.213 13.222 -3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.701 16.266 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.970 15.313 -2.841 1.00 0.00 H new ATOM 195 N GLN A 15 3.095 10.956 1.086 1.00 0.00 N ATOM 196 CA GLN A 15 4.305 10.197 1.359 1.00 0.00 C ATOM 197 C GLN A 15 3.934 8.775 1.739 1.00 0.00 C ATOM 198 O GLN A 15 4.609 7.815 1.362 1.00 0.00 O ATOM 199 CB GLN A 15 5.109 10.854 2.484 1.00 0.00 C ATOM 200 CG GLN A 15 6.524 10.313 2.616 1.00 0.00 C ATOM 201 CD GLN A 15 7.540 11.402 2.901 1.00 0.00 C ATOM 202 OE1 GLN A 15 7.744 11.792 4.050 1.00 0.00 O ATOM 203 NE2 GLN A 15 8.183 11.899 1.850 1.00 0.00 N ATOM 0 H GLN A 15 2.851 11.637 1.805 1.00 0.00 H new ATOM 0 HA GLN A 15 4.925 10.181 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.155 11.929 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.584 10.708 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.554 9.575 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.799 9.796 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.982 11.545 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.878 12.634 1.978 1.00 0.00 H new ATOM 212 N PHE A 16 2.837 8.650 2.476 1.00 0.00 N ATOM 213 CA PHE A 16 2.346 7.351 2.898 1.00 0.00 C ATOM 214 C PHE A 16 2.013 6.503 1.677 1.00 0.00 C ATOM 215 O PHE A 16 2.228 5.291 1.668 1.00 0.00 O ATOM 216 CB PHE A 16 1.110 7.512 3.789 1.00 0.00 C ATOM 217 CG PHE A 16 0.414 6.218 4.104 1.00 0.00 C ATOM 218 CD1 PHE A 16 0.897 5.379 5.096 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.725 5.842 3.409 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.257 4.190 5.388 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.368 4.653 3.697 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.876 3.825 4.687 1.00 0.00 C ATOM 0 H PHE A 16 2.271 9.437 2.793 1.00 0.00 H new ATOM 0 HA PHE A 16 3.123 6.850 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.407 7.990 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.405 8.182 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.783 5.658 5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.114 6.485 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.643 3.546 6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.255 4.371 3.148 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.376 2.895 4.912 1.00 0.00 H new ATOM 232 N LEU A 17 1.490 7.159 0.646 1.00 0.00 N ATOM 233 CA LEU A 17 1.126 6.482 -0.589 1.00 0.00 C ATOM 234 C LEU A 17 2.363 5.942 -1.292 1.00 0.00 C ATOM 235 O LEU A 17 2.332 4.863 -1.884 1.00 0.00 O ATOM 236 CB LEU A 17 0.367 7.435 -1.512 1.00 0.00 C ATOM 237 CG LEU A 17 -1.149 7.247 -1.513 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.830 8.362 -0.733 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.680 7.188 -2.939 1.00 0.00 C ATOM 0 H LEU A 17 1.309 8.163 0.644 1.00 0.00 H new ATOM 0 HA LEU A 17 0.478 5.642 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.593 8.460 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.737 7.306 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.376 6.300 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.909 8.209 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.475 8.354 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.594 9.323 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.762 7.054 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.439 8.117 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.220 6.351 -3.464 1.00 0.00 H new ATOM 251 N SER A 18 3.460 6.685 -1.215 1.00 0.00 N ATOM 252 CA SER A 18 4.703 6.251 -1.837 1.00 0.00 C ATOM 253 C SER A 18 5.065 4.860 -1.333 1.00 0.00 C ATOM 254 O SER A 18 5.553 4.018 -2.086 1.00 0.00 O ATOM 255 CB SER A 18 5.831 7.238 -1.525 1.00 0.00 C ATOM 256 OG SER A 18 6.638 7.468 -2.666 1.00 0.00 O ATOM 0 H SER A 18 3.514 7.582 -0.733 1.00 0.00 H new ATOM 0 HA SER A 18 4.567 6.218 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.408 8.181 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.446 6.848 -0.714 1.00 0.00 H new ATOM 0 HG SER A 18 7.350 8.103 -2.441 1.00 0.00 H new ATOM 262 N ASP A 19 4.804 4.632 -0.049 1.00 0.00 N ATOM 263 CA ASP A 19 5.079 3.345 0.575 1.00 0.00 C ATOM 264 C ASP A 19 4.015 2.312 0.212 1.00 0.00 C ATOM 265 O ASP A 19 4.341 1.189 -0.172 1.00 0.00 O ATOM 266 CB ASP A 19 5.161 3.497 2.095 1.00 0.00 C ATOM 267 CG ASP A 19 6.393 4.265 2.534 1.00 0.00 C ATOM 268 OD1 ASP A 19 6.737 5.264 1.868 1.00 0.00 O ATOM 269 OD2 ASP A 19 7.013 3.867 3.542 1.00 0.00 O ATOM 0 H ASP A 19 4.401 5.326 0.580 1.00 0.00 H new ATOM 0 HA ASP A 19 6.039 2.992 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.269 4.010 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.168 2.509 2.556 1.00 0.00 H new ATOM 274 N VAL A 20 2.739 2.687 0.336 1.00 0.00 N ATOM 275 CA VAL A 20 1.654 1.767 0.015 1.00 0.00 C ATOM 276 C VAL A 20 1.714 1.362 -1.450 1.00 0.00 C ATOM 277 O VAL A 20 1.395 0.229 -1.809 1.00 0.00 O ATOM 278 CB VAL A 20 0.267 2.363 0.346 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.301 3.034 1.708 1.00 0.00 C ATOM 280 CG2 VAL A 20 -0.195 3.338 -0.728 1.00 0.00 C ATOM 0 H VAL A 20 2.438 3.609 0.652 1.00 0.00 H new ATOM 0 HA VAL A 20 1.788 0.883 0.638 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.455 1.547 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.681 3.451 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.566 2.300 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.042 3.833 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.174 3.737 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.520 4.156 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.263 2.820 -1.685 1.00 0.00 H new ATOM 290 N LEU A 21 2.155 2.291 -2.288 1.00 0.00 N ATOM 291 CA LEU A 21 2.294 2.026 -3.710 1.00 0.00 C ATOM 292 C LEU A 21 3.522 1.154 -3.948 1.00 0.00 C ATOM 293 O LEU A 21 3.602 0.426 -4.937 1.00 0.00 O ATOM 294 CB LEU A 21 2.412 3.334 -4.491 1.00 0.00 C ATOM 295 CG LEU A 21 1.099 4.097 -4.671 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.360 5.483 -5.243 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.150 3.317 -5.570 1.00 0.00 C ATOM 0 H LEU A 21 2.422 3.234 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 21 1.406 1.500 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.125 3.982 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.827 3.116 -5.475 1.00 0.00 H new ATOM 0 HG LEU A 21 0.631 4.213 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.414 6.011 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.003 6.042 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.850 5.390 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.780 3.874 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.612 3.171 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.063 2.347 -5.120 1.00 0.00 H new ATOM 309 N ASP A 22 4.473 1.231 -3.017 1.00 0.00 N ATOM 310 CA ASP A 22 5.696 0.447 -3.101 1.00 0.00 C ATOM 311 C ASP A 22 5.443 -0.986 -2.641 1.00 0.00 C ATOM 312 O ASP A 22 6.126 -1.915 -3.069 1.00 0.00 O ATOM 313 CB ASP A 22 6.795 1.081 -2.247 1.00 0.00 C ATOM 314 CG ASP A 22 8.183 0.654 -2.682 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.651 1.137 -3.734 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.803 -0.165 -1.971 1.00 0.00 O ATOM 0 H ASP A 22 4.415 1.832 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 22 6.022 0.431 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.717 2.167 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.644 0.807 -1.203 1.00 0.00 H new ATOM 321 N CYS A 23 4.454 -1.157 -1.763 1.00 0.00 N ATOM 322 CA CYS A 23 4.108 -2.478 -1.243 1.00 0.00 C ATOM 323 C CYS A 23 4.002 -3.505 -2.368 1.00 0.00 C ATOM 324 O CYS A 23 3.813 -3.149 -3.531 1.00 0.00 O ATOM 325 CB CYS A 23 2.792 -2.411 -0.466 1.00 0.00 C ATOM 326 SG CYS A 23 3.002 -2.182 1.313 1.00 0.00 S ATOM 0 H CYS A 23 3.880 -0.397 -1.398 1.00 0.00 H new ATOM 0 HA CYS A 23 4.905 -2.795 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.191 -1.591 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.232 -3.329 -0.640 1.00 0.00 H new ATOM 0 HG CYS A 23 4.221 -1.804 1.561 1.00 0.00 H new ATOM 332 N ARG A 24 4.127 -4.779 -2.010 1.00 0.00 N ATOM 333 CA ARG A 24 4.049 -5.859 -2.988 1.00 0.00 C ATOM 334 C ARG A 24 2.697 -6.561 -2.921 1.00 0.00 C ATOM 335 O ARG A 24 2.156 -6.987 -3.941 1.00 0.00 O ATOM 336 CB ARG A 24 5.174 -6.868 -2.752 1.00 0.00 C ATOM 337 CG ARG A 24 6.446 -6.552 -3.520 1.00 0.00 C ATOM 338 CD ARG A 24 7.045 -5.222 -3.089 1.00 0.00 C ATOM 339 NE ARG A 24 7.063 -4.251 -4.180 1.00 0.00 N ATOM 340 CZ ARG A 24 7.970 -4.247 -5.154 1.00 0.00 C ATOM 341 NH1 ARG A 24 8.934 -5.160 -5.177 1.00 0.00 N ATOM 342 NH2 ARG A 24 7.913 -3.329 -6.110 1.00 0.00 N ATOM 0 H ARG A 24 4.283 -5.089 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 24 4.161 -5.425 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.402 -6.903 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.825 -7.861 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.174 -7.348 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.230 -6.525 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.471 -4.819 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.061 -5.382 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 24 6.338 -3.534 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.982 -5.869 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.626 -5.152 -5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.174 -2.626 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.608 -3.326 -6.856 1.00 0.00 H new ATOM 356 N ALA A 25 2.155 -6.676 -1.714 1.00 0.00 N ATOM 357 CA ALA A 25 0.865 -7.324 -1.513 1.00 0.00 C ATOM 358 C ALA A 25 -0.163 -6.337 -0.974 1.00 0.00 C ATOM 359 O ALA A 25 0.152 -5.497 -0.131 1.00 0.00 O ATOM 360 CB ALA A 25 1.009 -8.507 -0.568 1.00 0.00 C ATOM 0 H ALA A 25 2.590 -6.328 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 25 0.513 -7.687 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.037 -8.981 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.707 -9.229 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.386 -8.160 0.394 1.00 0.00 H new ATOM 366 N VAL A 26 -1.392 -6.442 -1.466 1.00 0.00 N ATOM 367 CA VAL A 26 -2.464 -5.553 -1.033 1.00 0.00 C ATOM 368 C VAL A 26 -3.770 -6.316 -0.842 1.00 0.00 C ATOM 369 O VAL A 26 -4.411 -6.716 -1.812 1.00 0.00 O ATOM 370 CB VAL A 26 -2.695 -4.416 -2.046 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.606 -3.349 -1.454 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.370 -3.812 -2.487 1.00 0.00 C ATOM 0 H VAL A 26 -1.671 -7.132 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.152 -5.126 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.186 -4.834 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.758 -2.554 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.567 -3.793 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.146 -2.935 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.556 -3.011 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.847 -3.410 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.757 -4.582 -2.956 1.00 0.00 H new ATOM 382 N ARG A 27 -4.162 -6.511 0.414 1.00 0.00 N ATOM 383 CA ARG A 27 -5.400 -7.221 0.718 1.00 0.00 C ATOM 384 C ARG A 27 -5.873 -6.930 2.136 1.00 0.00 C ATOM 385 O ARG A 27 -5.069 -6.796 3.057 1.00 0.00 O ATOM 386 CB ARG A 27 -5.212 -8.730 0.539 1.00 0.00 C ATOM 387 CG ARG A 27 -6.009 -9.312 -0.620 1.00 0.00 C ATOM 388 CD ARG A 27 -7.476 -8.901 -0.564 1.00 0.00 C ATOM 389 NE ARG A 27 -8.162 -9.451 0.604 1.00 0.00 N ATOM 390 CZ ARG A 27 -9.256 -8.913 1.144 1.00 0.00 C ATOM 391 NH1 ARG A 27 -9.775 -7.800 0.641 1.00 0.00 N ATOM 392 NH2 ARG A 27 -9.829 -9.485 2.192 1.00 0.00 N ATOM 0 H ARG A 27 -3.644 -6.190 1.232 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.160 -6.867 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.154 -8.939 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.504 -9.235 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.574 -8.979 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.936 -10.399 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.546 -7.813 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.980 -9.237 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.781 -10.296 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.337 -7.351 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.612 -7.393 1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.433 -10.338 2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.666 -9.072 2.604 1.00 0.00 H new ATOM 406 N SER A 28 -7.187 -6.843 2.303 1.00 0.00 N ATOM 407 CA SER A 28 -7.773 -6.577 3.608 1.00 0.00 C ATOM 408 C SER A 28 -7.593 -7.776 4.535 1.00 0.00 C ATOM 409 O SER A 28 -7.746 -8.924 4.118 1.00 0.00 O ATOM 410 CB SER A 28 -9.259 -6.239 3.465 1.00 0.00 C ATOM 411 OG SER A 28 -9.528 -4.922 3.913 1.00 0.00 O ATOM 0 H SER A 28 -7.866 -6.953 1.550 1.00 0.00 H new ATOM 0 HA SER A 28 -7.258 -5.722 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.559 -6.340 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.854 -6.950 4.038 1.00 0.00 H new ATOM 0 HG SER A 28 -10.483 -4.730 3.810 1.00 0.00 H new ATOM 417 N ALA A 29 -7.269 -7.500 5.794 1.00 0.00 N ATOM 418 CA ALA A 29 -7.070 -8.552 6.784 1.00 0.00 C ATOM 419 C ALA A 29 -8.265 -9.498 6.826 1.00 0.00 C ATOM 420 O ALA A 29 -8.138 -10.658 7.220 1.00 0.00 O ATOM 421 CB ALA A 29 -6.826 -7.945 8.157 1.00 0.00 C ATOM 0 H ALA A 29 -7.138 -6.554 6.153 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.192 -9.130 6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.679 -8.742 8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.937 -7.315 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.687 -7.342 8.447 1.00 0.00 H new ATOM 427 N MET A 30 -9.427 -8.996 6.415 1.00 0.00 N ATOM 428 CA MET A 30 -10.646 -9.799 6.404 1.00 0.00 C ATOM 429 C MET A 30 -10.430 -11.125 5.674 1.00 0.00 C ATOM 430 O MET A 30 -11.121 -12.109 5.939 1.00 0.00 O ATOM 431 CB MET A 30 -11.786 -9.022 5.742 1.00 0.00 C ATOM 432 CG MET A 30 -12.503 -8.071 6.685 1.00 0.00 C ATOM 433 SD MET A 30 -14.212 -7.767 6.200 1.00 0.00 S ATOM 434 CE MET A 30 -14.634 -6.402 7.279 1.00 0.00 C ATOM 0 H MET A 30 -9.550 -8.038 6.086 1.00 0.00 H new ATOM 0 HA MET A 30 -10.911 -10.017 7.438 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.387 -8.454 4.901 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.508 -9.730 5.335 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.484 -8.483 7.694 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.965 -7.124 6.717 1.00 0.00 H new ATOM 0 HE1 MET A 30 -15.665 -6.100 7.097 1.00 0.00 H new ATOM 0 HE2 MET A 30 -14.525 -6.712 8.318 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.969 -5.562 7.080 1.00 0.00 H new ATOM 444 N ASN A 31 -9.468 -11.146 4.754 1.00 0.00 N ATOM 445 CA ASN A 31 -9.163 -12.353 3.990 1.00 0.00 C ATOM 446 C ASN A 31 -7.931 -12.145 3.112 1.00 0.00 C ATOM 447 O ASN A 31 -8.028 -12.099 1.885 1.00 0.00 O ATOM 448 CB ASN A 31 -10.363 -12.750 3.127 1.00 0.00 C ATOM 449 CG ASN A 31 -10.537 -14.252 3.034 1.00 0.00 C ATOM 450 OD1 ASN A 31 -11.591 -14.790 3.371 1.00 0.00 O ATOM 451 ND2 ASN A 31 -9.498 -14.941 2.574 1.00 0.00 N ATOM 0 H ASN A 31 -8.887 -10.341 4.520 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.950 -13.157 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.268 -12.307 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.238 -12.339 2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.556 -15.956 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.642 -14.455 2.306 1.00 0.00 H new ATOM 458 N LEU A 32 -6.774 -12.017 3.751 1.00 0.00 N ATOM 459 CA LEU A 32 -5.518 -11.809 3.037 1.00 0.00 C ATOM 460 C LEU A 32 -5.182 -12.995 2.133 1.00 0.00 C ATOM 461 O LEU A 32 -4.352 -12.880 1.232 1.00 0.00 O ATOM 462 CB LEU A 32 -4.378 -11.574 4.033 1.00 0.00 C ATOM 463 CG LEU A 32 -3.884 -10.129 4.123 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.865 -9.981 5.243 1.00 0.00 C ATOM 465 CD2 LEU A 32 -3.287 -9.687 2.795 1.00 0.00 C ATOM 0 H LEU A 32 -6.679 -12.054 4.766 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.637 -10.928 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.709 -11.891 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.538 -12.212 3.758 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.736 -9.487 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.525 -8.946 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.325 -10.257 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.014 -10.634 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.941 -8.657 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.447 -10.333 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.045 -9.754 2.015 1.00 0.00 H new ATOM 477 N ARG A 33 -5.820 -14.136 2.384 1.00 0.00 N ATOM 478 CA ARG A 33 -5.570 -15.340 1.597 1.00 0.00 C ATOM 479 C ARG A 33 -6.385 -15.361 0.300 1.00 0.00 C ATOM 480 O ARG A 33 -6.468 -16.395 -0.363 1.00 0.00 O ATOM 481 CB ARG A 33 -5.886 -16.585 2.429 1.00 0.00 C ATOM 482 CG ARG A 33 -4.772 -17.620 2.421 1.00 0.00 C ATOM 483 CD ARG A 33 -4.972 -18.646 1.317 1.00 0.00 C ATOM 484 NE ARG A 33 -5.984 -19.639 1.668 1.00 0.00 N ATOM 485 CZ ARG A 33 -6.104 -20.819 1.064 1.00 0.00 C ATOM 486 NH1 ARG A 33 -5.280 -21.155 0.079 1.00 0.00 N ATOM 487 NH2 ARG A 33 -7.051 -21.666 1.446 1.00 0.00 N ATOM 0 H ARG A 33 -6.512 -14.252 3.124 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.515 -15.337 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.084 -16.284 3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.799 -17.043 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.812 -17.122 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.736 -18.125 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.266 -18.138 0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.026 -19.149 1.114 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.636 -19.415 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.550 -20.508 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.377 -22.061 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.687 -21.413 2.202 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.143 -22.570 0.983 1.00 0.00 H new ATOM 501 N ALA A 34 -6.982 -14.229 -0.066 1.00 0.00 N ATOM 502 CA ALA A 34 -7.776 -14.158 -1.289 1.00 0.00 C ATOM 503 C ALA A 34 -8.072 -12.715 -1.687 1.00 0.00 C ATOM 504 O ALA A 34 -8.120 -11.822 -0.840 1.00 0.00 O ATOM 505 CB ALA A 34 -9.073 -14.933 -1.118 1.00 0.00 C ATOM 0 H ALA A 34 -6.932 -13.357 0.461 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.191 -14.609 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.657 -14.873 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.847 -15.977 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.646 -14.506 -0.295 1.00 0.00 H new ATOM 511 N ALA A 35 -8.275 -12.498 -2.984 1.00 0.00 N ATOM 512 CA ALA A 35 -8.575 -11.169 -3.505 1.00 0.00 C ATOM 513 C ALA A 35 -10.078 -10.916 -3.512 1.00 0.00 C ATOM 514 O ALA A 35 -10.862 -11.801 -3.170 1.00 0.00 O ATOM 515 CB ALA A 35 -8.004 -11.011 -4.907 1.00 0.00 C ATOM 0 H ALA A 35 -8.237 -13.229 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.109 -10.432 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.235 -10.015 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.923 -11.146 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.445 -11.759 -5.566 1.00 0.00 H new ATOM 521 N LEU A 36 -10.480 -9.710 -3.906 1.00 0.00 N ATOM 522 CA LEU A 36 -11.898 -9.369 -3.951 1.00 0.00 C ATOM 523 C LEU A 36 -12.436 -9.474 -5.374 1.00 0.00 C ATOM 524 O LEU A 36 -13.244 -10.351 -5.680 1.00 0.00 O ATOM 525 CB LEU A 36 -12.113 -7.954 -3.417 1.00 0.00 C ATOM 526 CG LEU A 36 -11.370 -7.626 -2.120 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.087 -6.868 -2.423 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.259 -6.820 -1.183 1.00 0.00 C ATOM 0 H LEU A 36 -9.851 -8.961 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.441 -10.077 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.804 -7.243 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.180 -7.803 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.110 -8.561 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.569 -6.642 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.444 -7.480 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.327 -5.939 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.713 -6.596 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.549 -5.888 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.152 -7.397 -0.942 1.00 0.00 H new ATOM 540 N THR A 37 -11.971 -8.583 -6.243 1.00 0.00 N ATOM 541 CA THR A 37 -12.389 -8.579 -7.644 1.00 0.00 C ATOM 542 C THR A 37 -11.883 -7.328 -8.354 1.00 0.00 C ATOM 543 O THR A 37 -11.654 -6.294 -7.726 1.00 0.00 O ATOM 544 CB THR A 37 -13.915 -8.676 -7.766 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.336 -8.312 -9.069 1.00 0.00 O ATOM 546 CG2 THR A 37 -14.662 -7.801 -6.783 1.00 0.00 C ATOM 0 H THR A 37 -11.302 -7.851 -6.003 1.00 0.00 H new ATOM 0 HA THR A 37 -11.951 -9.455 -8.123 1.00 0.00 H new ATOM 0 HB THR A 37 -14.151 -9.717 -7.545 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.312 -8.381 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.735 -7.923 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.400 -8.091 -5.766 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.390 -6.758 -6.945 1.00 0.00 H new ATOM 554 N SER A 38 -11.703 -7.433 -9.670 1.00 0.00 N ATOM 555 CA SER A 38 -11.217 -6.314 -10.477 1.00 0.00 C ATOM 556 C SER A 38 -11.925 -5.013 -10.108 1.00 0.00 C ATOM 557 O SER A 38 -11.305 -3.952 -10.047 1.00 0.00 O ATOM 558 CB SER A 38 -11.417 -6.609 -11.965 1.00 0.00 C ATOM 559 OG SER A 38 -10.328 -7.349 -12.489 1.00 0.00 O ATOM 0 H SER A 38 -11.887 -8.284 -10.201 1.00 0.00 H new ATOM 0 HA SER A 38 -10.153 -6.193 -10.272 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.342 -7.168 -12.107 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.522 -5.673 -12.514 1.00 0.00 H new ATOM 0 HG SER A 38 -10.481 -7.526 -13.441 1.00 0.00 H new ATOM 565 N PHE A 39 -13.227 -5.106 -9.857 1.00 0.00 N ATOM 566 CA PHE A 39 -14.018 -3.939 -9.489 1.00 0.00 C ATOM 567 C PHE A 39 -13.703 -3.499 -8.063 1.00 0.00 C ATOM 568 O PHE A 39 -13.721 -2.309 -7.750 1.00 0.00 O ATOM 569 CB PHE A 39 -15.512 -4.242 -9.625 1.00 0.00 C ATOM 570 CG PHE A 39 -16.335 -3.042 -9.995 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.424 -1.956 -9.138 1.00 0.00 C ATOM 572 CD2 PHE A 39 -17.019 -2.998 -11.199 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.180 -0.849 -9.475 1.00 0.00 C ATOM 574 CE2 PHE A 39 -17.777 -1.894 -11.541 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.858 -0.819 -10.679 1.00 0.00 C ATOM 0 H PHE A 39 -13.756 -5.977 -9.902 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.759 -3.127 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.651 -5.015 -10.381 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.880 -4.648 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.896 -1.975 -8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.959 -3.836 -11.878 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -17.241 -0.009 -8.799 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -18.306 -1.872 -12.482 1.00 0.00 H new ATOM 0 HZ PHE A 39 -18.450 0.044 -10.945 1.00 0.00 H new ATOM 585 N GLN A 40 -13.419 -4.471 -7.202 1.00 0.00 N ATOM 586 CA GLN A 40 -13.105 -4.188 -5.807 1.00 0.00 C ATOM 587 C GLN A 40 -11.742 -3.520 -5.674 1.00 0.00 C ATOM 588 O GLN A 40 -11.621 -2.448 -5.080 1.00 0.00 O ATOM 589 CB GLN A 40 -13.145 -5.474 -4.981 1.00 0.00 C ATOM 590 CG GLN A 40 -14.453 -5.689 -4.226 1.00 0.00 C ATOM 591 CD GLN A 40 -15.667 -5.152 -4.963 1.00 0.00 C ATOM 592 OE1 GLN A 40 -16.276 -5.849 -5.773 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.024 -3.904 -4.681 1.00 0.00 N ATOM 0 H GLN A 40 -13.400 -5.461 -7.446 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.859 -3.499 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.976 -6.324 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.323 -5.459 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.589 -6.755 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.385 -5.206 -3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.490 -3.362 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.832 -3.488 -5.143 1.00 0.00 H new ATOM 602 N VAL A 41 -10.716 -4.155 -6.230 1.00 0.00 N ATOM 603 CA VAL A 41 -9.364 -3.615 -6.171 1.00 0.00 C ATOM 604 C VAL A 41 -9.311 -2.215 -6.776 1.00 0.00 C ATOM 605 O VAL A 41 -8.611 -1.336 -6.272 1.00 0.00 O ATOM 606 CB VAL A 41 -8.362 -4.529 -6.903 1.00 0.00 C ATOM 607 CG1 VAL A 41 -6.950 -3.968 -6.806 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.420 -5.942 -6.340 1.00 0.00 C ATOM 0 H VAL A 41 -10.795 -5.043 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.084 -3.562 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.639 -4.568 -7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.259 -4.629 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.920 -2.978 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.659 -3.895 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.706 -6.574 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.171 -5.921 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.425 -6.344 -6.469 1.00 0.00 H new ATOM 618 N ALA A 42 -10.061 -2.014 -7.853 1.00 0.00 N ATOM 619 CA ALA A 42 -10.107 -0.719 -8.522 1.00 0.00 C ATOM 620 C ALA A 42 -10.729 0.339 -7.618 1.00 0.00 C ATOM 621 O ALA A 42 -10.305 1.494 -7.614 1.00 0.00 O ATOM 622 CB ALA A 42 -10.884 -0.827 -9.825 1.00 0.00 C ATOM 0 H ALA A 42 -10.646 -2.731 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.085 -0.414 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.911 0.147 -10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.397 -1.549 -10.480 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.902 -1.156 -9.615 1.00 0.00 H new ATOM 628 N GLN A 43 -11.736 -0.065 -6.847 1.00 0.00 N ATOM 629 CA GLN A 43 -12.413 0.849 -5.933 1.00 0.00 C ATOM 630 C GLN A 43 -11.415 1.469 -4.965 1.00 0.00 C ATOM 631 O GLN A 43 -11.290 2.691 -4.881 1.00 0.00 O ATOM 632 CB GLN A 43 -13.507 0.111 -5.158 1.00 0.00 C ATOM 633 CG GLN A 43 -14.400 1.029 -4.338 1.00 0.00 C ATOM 634 CD GLN A 43 -15.792 0.462 -4.143 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.255 0.299 -3.014 1.00 0.00 O ATOM 636 NE2 GLN A 43 -16.467 0.157 -5.245 1.00 0.00 N ATOM 0 H GLN A 43 -12.100 -1.018 -6.838 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.872 1.645 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.124 -0.448 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.041 -0.617 -4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.942 1.201 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.472 1.998 -4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.044 0.309 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.409 -0.229 -5.176 1.00 0.00 H new ATOM 645 N TYR A 44 -10.693 0.616 -4.246 1.00 0.00 N ATOM 646 CA TYR A 44 -9.690 1.075 -3.294 1.00 0.00 C ATOM 647 C TYR A 44 -8.609 1.872 -4.017 1.00 0.00 C ATOM 648 O TYR A 44 -8.073 2.845 -3.483 1.00 0.00 O ATOM 649 CB TYR A 44 -9.078 -0.125 -2.563 1.00 0.00 C ATOM 650 CG TYR A 44 -7.893 0.215 -1.679 1.00 0.00 C ATOM 651 CD1 TYR A 44 -7.734 1.489 -1.146 1.00 0.00 C ATOM 652 CD2 TYR A 44 -6.936 -0.746 -1.380 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.653 1.795 -0.341 1.00 0.00 C ATOM 654 CE2 TYR A 44 -5.853 -0.448 -0.575 1.00 0.00 C ATOM 655 CZ TYR A 44 -5.715 0.823 -0.059 1.00 0.00 C ATOM 656 OH TYR A 44 -4.637 1.124 0.741 1.00 0.00 O ATOM 0 H TYR A 44 -10.785 -0.398 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.164 1.725 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.849 -0.594 -1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.765 -0.863 -3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.467 2.252 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.040 -1.743 -1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.543 2.790 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.118 -1.207 -0.351 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.875 1.854 1.350 1.00 0.00 H new ATOM 666 N ARG A 45 -8.303 1.454 -5.241 1.00 0.00 N ATOM 667 CA ARG A 45 -7.298 2.125 -6.051 1.00 0.00 C ATOM 668 C ARG A 45 -7.776 3.514 -6.463 1.00 0.00 C ATOM 669 O ARG A 45 -6.987 4.455 -6.550 1.00 0.00 O ATOM 670 CB ARG A 45 -6.979 1.293 -7.295 1.00 0.00 C ATOM 671 CG ARG A 45 -5.497 1.237 -7.629 1.00 0.00 C ATOM 672 CD ARG A 45 -5.270 0.931 -9.100 1.00 0.00 C ATOM 673 NE ARG A 45 -5.094 -0.500 -9.342 1.00 0.00 N ATOM 674 CZ ARG A 45 -5.054 -1.048 -10.553 1.00 0.00 C ATOM 675 NH1 ARG A 45 -5.179 -0.291 -11.637 1.00 0.00 N ATOM 676 NH2 ARG A 45 -4.890 -2.356 -10.683 1.00 0.00 N ATOM 0 H ARG A 45 -8.740 0.651 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.393 2.232 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.348 0.278 -7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.519 1.707 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.030 2.189 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.014 0.474 -7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.117 1.295 -9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.389 1.469 -9.450 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.996 -1.115 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.306 0.717 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.147 -0.717 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.794 -2.943 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.859 -2.776 -11.612 1.00 0.00 H new ATOM 690 N ASN A 46 -9.077 3.633 -6.714 1.00 0.00 N ATOM 691 CA ASN A 46 -9.667 4.903 -7.116 1.00 0.00 C ATOM 692 C ASN A 46 -9.575 5.925 -5.989 1.00 0.00 C ATOM 693 O ASN A 46 -9.356 7.113 -6.230 1.00 0.00 O ATOM 694 CB ASN A 46 -11.128 4.706 -7.521 1.00 0.00 C ATOM 695 CG ASN A 46 -11.539 5.614 -8.664 1.00 0.00 C ATOM 696 OD1 ASN A 46 -12.415 6.465 -8.511 1.00 0.00 O ATOM 697 ND2 ASN A 46 -10.905 5.437 -9.817 1.00 0.00 N ATOM 0 H ASN A 46 -9.742 2.863 -6.645 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.108 5.280 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.285 3.667 -7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.769 4.897 -6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.138 6.019 -10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.185 4.719 -9.898 1.00 0.00 H new ATOM 704 N ILE A 47 -9.740 5.457 -4.756 1.00 0.00 N ATOM 705 CA ILE A 47 -9.673 6.333 -3.592 1.00 0.00 C ATOM 706 C ILE A 47 -8.324 7.042 -3.526 1.00 0.00 C ATOM 707 O ILE A 47 -8.257 8.272 -3.515 1.00 0.00 O ATOM 708 CB ILE A 47 -9.900 5.551 -2.282 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.227 4.791 -2.339 1.00 0.00 C ATOM 710 CG2 ILE A 47 -9.878 6.493 -1.086 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.430 3.843 -1.177 1.00 0.00 C ATOM 0 H ILE A 47 -9.921 4.477 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.467 7.072 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.091 4.830 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.047 5.509 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.274 4.227 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.040 5.923 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.911 6.994 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.667 7.237 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.390 3.339 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.630 3.102 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.416 4.404 -0.243 1.00 0.00 H new ATOM 723 N LEU A 48 -7.251 6.259 -3.491 1.00 0.00 N ATOM 724 CA LEU A 48 -5.906 6.817 -3.435 1.00 0.00 C ATOM 725 C LEU A 48 -5.601 7.616 -4.696 1.00 0.00 C ATOM 726 O LEU A 48 -5.088 8.732 -4.628 1.00 0.00 O ATOM 727 CB LEU A 48 -4.871 5.701 -3.262 1.00 0.00 C ATOM 728 CG LEU A 48 -5.034 4.831 -2.009 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.680 4.319 -1.544 1.00 0.00 C ATOM 730 CD2 LEU A 48 -5.720 5.602 -0.889 1.00 0.00 C ATOM 0 H LEU A 48 -7.287 5.240 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.852 7.486 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.911 5.054 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.878 6.151 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.665 3.981 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.810 3.703 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.225 3.723 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.033 5.164 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.822 4.960 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.122 6.476 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.708 5.923 -1.220 1.00 0.00 H new ATOM 742 N ASN A 49 -5.928 7.040 -5.849 1.00 0.00 N ATOM 743 CA ASN A 49 -5.695 7.701 -7.128 1.00 0.00 C ATOM 744 C ASN A 49 -6.407 9.050 -7.174 1.00 0.00 C ATOM 745 O ASN A 49 -5.933 9.994 -7.808 1.00 0.00 O ATOM 746 CB ASN A 49 -6.176 6.815 -8.281 1.00 0.00 C ATOM 747 CG ASN A 49 -6.106 7.521 -9.622 1.00 0.00 C ATOM 748 OD1 ASN A 49 -5.203 7.276 -10.422 1.00 0.00 O ATOM 749 ND2 ASN A 49 -7.064 8.407 -9.871 1.00 0.00 N ATOM 0 H ASN A 49 -6.355 6.117 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.623 7.869 -7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.569 5.910 -8.318 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.203 6.502 -8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.071 8.916 -10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.793 8.578 -9.178 1.00 0.00 H new ATOM 756 N ALA A 50 -7.549 9.131 -6.502 1.00 0.00 N ATOM 757 CA ALA A 50 -8.329 10.360 -6.468 1.00 0.00 C ATOM 758 C ALA A 50 -7.616 11.448 -5.675 1.00 0.00 C ATOM 759 O ALA A 50 -7.808 12.635 -5.925 1.00 0.00 O ATOM 760 CB ALA A 50 -9.710 10.101 -5.895 1.00 0.00 C ATOM 0 H ALA A 50 -7.955 8.359 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.439 10.712 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.277 11.032 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.230 9.370 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.616 9.715 -4.880 1.00 0.00 H new ATOM 766 N SER A 51 -6.797 11.036 -4.714 1.00 0.00 N ATOM 767 CA SER A 51 -6.056 11.976 -3.882 1.00 0.00 C ATOM 768 C SER A 51 -4.962 12.675 -4.687 1.00 0.00 C ATOM 769 O SER A 51 -4.633 13.834 -4.436 1.00 0.00 O ATOM 770 CB SER A 51 -5.442 11.250 -2.682 1.00 0.00 C ATOM 771 OG SER A 51 -5.749 11.917 -1.470 1.00 0.00 O ATOM 0 H SER A 51 -6.629 10.055 -4.492 1.00 0.00 H new ATOM 0 HA SER A 51 -6.753 12.733 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.815 10.227 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.360 11.190 -2.804 1.00 0.00 H new ATOM 0 HG SER A 51 -5.487 11.354 -0.712 1.00 0.00 H new ATOM 777 N LEU A 52 -4.392 11.953 -5.644 1.00 0.00 N ATOM 778 CA LEU A 52 -3.319 12.486 -6.484 1.00 0.00 C ATOM 779 C LEU A 52 -3.796 13.664 -7.331 1.00 0.00 C ATOM 780 O LEU A 52 -3.222 14.752 -7.276 1.00 0.00 O ATOM 781 CB LEU A 52 -2.757 11.391 -7.400 1.00 0.00 C ATOM 782 CG LEU A 52 -2.896 9.958 -6.877 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.089 8.995 -7.729 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.454 9.875 -5.424 1.00 0.00 C ATOM 0 H LEU A 52 -4.655 10.992 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.534 12.841 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.258 11.457 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.701 11.595 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.947 9.674 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.202 7.983 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.448 9.031 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.037 9.279 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.560 8.850 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.411 10.181 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.074 10.535 -4.817 1.00 0.00 H new ATOM 796 N GLN A 53 -4.840 13.438 -8.122 1.00 0.00 N ATOM 797 CA GLN A 53 -5.385 14.478 -8.992 1.00 0.00 C ATOM 798 C GLN A 53 -5.745 15.740 -8.210 1.00 0.00 C ATOM 799 O GLN A 53 -5.850 16.824 -8.784 1.00 0.00 O ATOM 800 CB GLN A 53 -6.613 13.954 -9.736 1.00 0.00 C ATOM 801 CG GLN A 53 -7.772 13.590 -8.831 1.00 0.00 C ATOM 802 CD GLN A 53 -8.445 12.303 -9.255 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.668 12.236 -9.376 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.641 11.270 -9.483 1.00 0.00 N ATOM 0 H GLN A 53 -5.327 12.544 -8.180 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.611 14.743 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.944 14.710 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.327 13.076 -10.315 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.414 13.490 -7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.503 14.399 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.633 11.374 -9.369 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.032 10.373 -9.772 1.00 0.00 H new ATOM 813 N VAL A 54 -5.929 15.597 -6.903 1.00 0.00 N ATOM 814 CA VAL A 54 -6.272 16.733 -6.055 1.00 0.00 C ATOM 815 C VAL A 54 -5.054 17.237 -5.286 1.00 0.00 C ATOM 816 O VAL A 54 -5.189 17.889 -4.251 1.00 0.00 O ATOM 817 CB VAL A 54 -7.387 16.375 -5.052 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.736 16.315 -5.752 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.079 15.058 -4.357 1.00 0.00 C ATOM 0 H VAL A 54 -5.847 14.709 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.631 17.520 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.432 17.156 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.510 16.061 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.959 17.285 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.707 15.556 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.877 14.823 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.004 14.264 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.135 15.142 -3.819 1.00 0.00 H new ATOM 829 N ASP A 55 -3.866 16.935 -5.801 1.00 0.00 N ATOM 830 CA ASP A 55 -2.626 17.361 -5.162 1.00 0.00 C ATOM 831 C ASP A 55 -2.108 18.652 -5.786 1.00 0.00 C ATOM 832 O ASP A 55 -2.511 19.024 -6.889 1.00 0.00 O ATOM 833 CB ASP A 55 -1.566 16.264 -5.277 1.00 0.00 C ATOM 834 CG ASP A 55 -0.320 16.579 -4.472 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.456 17.087 -3.339 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.794 16.318 -4.975 1.00 0.00 O ATOM 0 H ASP A 55 -3.736 16.397 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.834 17.546 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.987 15.318 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.295 16.132 -6.325 1.00 0.00 H new ATOM 841 N ARG A 56 -1.215 19.331 -5.076 1.00 0.00 N ATOM 842 CA ARG A 56 -0.642 20.581 -5.562 1.00 0.00 C ATOM 843 C ARG A 56 0.493 20.313 -6.544 1.00 0.00 C ATOM 844 O ARG A 56 0.726 21.094 -7.467 1.00 0.00 O ATOM 845 CB ARG A 56 -0.134 21.423 -4.391 1.00 0.00 C ATOM 846 CG ARG A 56 -1.142 22.449 -3.897 1.00 0.00 C ATOM 847 CD ARG A 56 -1.366 23.547 -4.923 1.00 0.00 C ATOM 848 NE ARG A 56 -0.151 24.318 -5.174 1.00 0.00 N ATOM 849 CZ ARG A 56 0.038 25.072 -6.255 1.00 0.00 C ATOM 850 NH1 ARG A 56 -0.904 25.162 -7.185 1.00 0.00 N ATOM 851 NH2 ARG A 56 1.174 25.741 -6.406 1.00 0.00 N ATOM 0 H ARG A 56 -0.872 19.037 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.425 21.133 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.132 20.761 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.778 21.938 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.089 21.955 -3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.789 22.888 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.714 23.105 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.153 24.215 -4.573 1.00 0.00 H new ATOM 0 HE ARG A 56 0.596 24.276 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.780 24.652 -7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.752 25.742 -8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.902 25.677 -5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.319 26.319 -7.234 1.00 0.00 H new ATOM 865 N ASP A 57 1.197 19.205 -6.340 1.00 0.00 N ATOM 866 CA ASP A 57 2.309 18.833 -7.208 1.00 0.00 C ATOM 867 C ASP A 57 1.840 17.909 -8.327 1.00 0.00 C ATOM 868 O ASP A 57 1.711 16.700 -8.134 1.00 0.00 O ATOM 869 CB ASP A 57 3.411 18.152 -6.396 1.00 0.00 C ATOM 870 CG ASP A 57 4.117 19.115 -5.460 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.428 19.767 -4.648 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.360 19.215 -5.539 1.00 0.00 O ATOM 0 H ASP A 57 1.017 18.548 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 57 2.708 19.743 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.980 17.336 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.139 17.710 -7.076 1.00 0.00 H new ATOM 877 N ALA A 58 1.587 18.486 -9.497 1.00 0.00 N ATOM 878 CA ALA A 58 1.133 17.713 -10.648 1.00 0.00 C ATOM 879 C ALA A 58 2.223 16.765 -11.136 1.00 0.00 C ATOM 880 O ALA A 58 1.943 15.631 -11.527 1.00 0.00 O ATOM 881 CB ALA A 58 0.699 18.643 -11.770 1.00 0.00 C ATOM 0 H ALA A 58 1.688 19.485 -9.673 1.00 0.00 H new ATOM 0 HA ALA A 58 0.278 17.113 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.363 18.053 -12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.117 19.276 -11.422 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.540 19.268 -12.071 1.00 0.00 H new ATOM 887 N ALA A 59 3.466 17.235 -11.110 1.00 0.00 N ATOM 888 CA ALA A 59 4.597 16.429 -11.550 1.00 0.00 C ATOM 889 C ALA A 59 4.714 15.152 -10.724 1.00 0.00 C ATOM 890 O ALA A 59 4.866 14.060 -11.271 1.00 0.00 O ATOM 891 CB ALA A 59 5.884 17.235 -11.463 1.00 0.00 C ATOM 0 H ALA A 59 3.715 18.171 -10.789 1.00 0.00 H new ATOM 0 HA ALA A 59 4.428 16.145 -12.589 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.721 16.621 -11.795 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.805 18.116 -12.100 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.049 17.547 -10.432 1.00 0.00 H new ATOM 897 N ARG A 60 4.644 15.297 -9.405 1.00 0.00 N ATOM 898 CA ARG A 60 4.742 14.154 -8.504 1.00 0.00 C ATOM 899 C ARG A 60 3.520 13.251 -8.636 1.00 0.00 C ATOM 900 O ARG A 60 3.616 12.034 -8.475 1.00 0.00 O ATOM 901 CB ARG A 60 4.887 14.629 -7.058 1.00 0.00 C ATOM 902 CG ARG A 60 6.323 14.916 -6.651 1.00 0.00 C ATOM 903 CD ARG A 60 6.849 16.178 -7.315 1.00 0.00 C ATOM 904 NE ARG A 60 7.954 16.772 -6.566 1.00 0.00 N ATOM 905 CZ ARG A 60 9.208 16.327 -6.615 1.00 0.00 C ATOM 906 NH1 ARG A 60 9.521 15.287 -7.379 1.00 0.00 N ATOM 907 NH2 ARG A 60 10.152 16.924 -5.901 1.00 0.00 N ATOM 0 H ARG A 60 4.520 16.194 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 60 5.626 13.580 -8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.292 15.532 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.475 13.871 -6.393 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.381 15.023 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.955 14.070 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.181 15.944 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.041 16.904 -7.405 1.00 0.00 H new ATOM 0 HE ARG A 60 7.753 17.575 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.799 14.825 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.483 14.950 -7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.918 17.724 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.113 16.583 -5.939 1.00 0.00 H new ATOM 921 N SER A 61 2.373 13.854 -8.927 1.00 0.00 N ATOM 922 CA SER A 61 1.131 13.104 -9.080 1.00 0.00 C ATOM 923 C SER A 61 1.265 12.042 -10.167 1.00 0.00 C ATOM 924 O SER A 61 0.926 10.878 -9.956 1.00 0.00 O ATOM 925 CB SER A 61 -0.023 14.051 -9.415 1.00 0.00 C ATOM 926 OG SER A 61 -1.234 13.337 -9.590 1.00 0.00 O ATOM 0 H SER A 61 2.277 14.860 -9.062 1.00 0.00 H new ATOM 0 HA SER A 61 0.920 12.604 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.141 14.783 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.210 14.606 -10.324 1.00 0.00 H new ATOM 0 HG SER A 61 -1.956 13.965 -9.802 1.00 0.00 H new ATOM 932 N ARG A 62 1.760 12.454 -11.331 1.00 0.00 N ATOM 933 CA ARG A 62 1.939 11.540 -12.456 1.00 0.00 C ATOM 934 C ARG A 62 2.754 10.315 -12.050 1.00 0.00 C ATOM 935 O ARG A 62 2.529 9.214 -12.552 1.00 0.00 O ATOM 936 CB ARG A 62 2.626 12.261 -13.618 1.00 0.00 C ATOM 937 CG ARG A 62 2.126 11.826 -14.985 1.00 0.00 C ATOM 938 CD ARG A 62 2.884 12.524 -16.102 1.00 0.00 C ATOM 939 NE ARG A 62 2.117 12.563 -17.344 1.00 0.00 N ATOM 940 CZ ARG A 62 2.620 12.946 -18.515 1.00 0.00 C ATOM 941 NH1 ARG A 62 3.889 13.324 -18.609 1.00 0.00 N ATOM 942 NH2 ARG A 62 1.853 12.950 -19.597 1.00 0.00 N ATOM 0 H ARG A 62 2.044 13.415 -11.520 1.00 0.00 H new ATOM 0 HA ARG A 62 0.952 11.202 -12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.473 13.335 -13.509 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.700 12.084 -13.560 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.237 10.747 -15.088 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.062 12.047 -15.072 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.127 13.541 -15.794 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.829 12.009 -16.276 1.00 0.00 H new ATOM 0 HE ARG A 62 1.138 12.280 -17.312 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.484 13.322 -17.781 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.269 13.616 -19.509 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.877 12.660 -19.532 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.239 13.244 -20.494 1.00 0.00 H new ATOM 956 N ARG A 63 3.703 10.517 -11.142 1.00 0.00 N ATOM 957 CA ARG A 63 4.553 9.429 -10.672 1.00 0.00 C ATOM 958 C ARG A 63 3.755 8.431 -9.839 1.00 0.00 C ATOM 959 O ARG A 63 3.926 7.219 -9.972 1.00 0.00 O ATOM 960 CB ARG A 63 5.716 9.984 -9.848 1.00 0.00 C ATOM 961 CG ARG A 63 6.553 11.011 -10.593 1.00 0.00 C ATOM 962 CD ARG A 63 7.823 11.352 -9.833 1.00 0.00 C ATOM 963 NE ARG A 63 8.952 11.588 -10.729 1.00 0.00 N ATOM 964 CZ ARG A 63 9.593 10.622 -11.385 1.00 0.00 C ATOM 965 NH1 ARG A 63 9.215 9.357 -11.251 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.612 10.923 -12.178 1.00 0.00 N ATOM 0 H ARG A 63 3.903 11.423 -10.717 1.00 0.00 H new ATOM 0 HA ARG A 63 4.948 8.909 -11.544 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.322 10.439 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.358 9.159 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.811 10.625 -11.579 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.966 11.917 -10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.653 12.239 -9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.066 10.538 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 63 9.268 12.549 -10.860 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.430 9.121 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.709 8.621 -11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.905 11.894 -12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.103 10.183 -12.680 1.00 0.00 H new ATOM 980 N LEU A 64 2.883 8.947 -8.979 1.00 0.00 N ATOM 981 CA LEU A 64 2.059 8.095 -8.125 1.00 0.00 C ATOM 982 C LEU A 64 1.008 7.358 -8.946 1.00 0.00 C ATOM 983 O LEU A 64 0.796 6.159 -8.766 1.00 0.00 O ATOM 984 CB LEU A 64 1.372 8.917 -7.024 1.00 0.00 C ATOM 985 CG LEU A 64 2.042 10.245 -6.665 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.391 10.855 -5.434 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.534 10.047 -6.435 1.00 0.00 C ATOM 0 H LEU A 64 2.728 9.947 -8.854 1.00 0.00 H new ATOM 0 HA LEU A 64 2.719 7.364 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.348 9.122 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.315 8.306 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 64 1.911 10.932 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.880 11.799 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.334 11.034 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.491 10.170 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.993 11.002 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.686 9.343 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.993 9.654 -7.342 1.00 0.00 H new ATOM 999 N MET A 65 0.353 8.082 -9.850 1.00 0.00 N ATOM 1000 CA MET A 65 -0.681 7.497 -10.697 1.00 0.00 C ATOM 1001 C MET A 65 -0.150 6.269 -11.428 1.00 0.00 C ATOM 1002 O MET A 65 -0.884 5.309 -11.667 1.00 0.00 O ATOM 1003 CB MET A 65 -1.188 8.536 -11.700 1.00 0.00 C ATOM 1004 CG MET A 65 -1.793 9.765 -11.042 1.00 0.00 C ATOM 1005 SD MET A 65 -3.163 10.460 -11.985 1.00 0.00 S ATOM 1006 CE MET A 65 -4.334 10.804 -10.673 1.00 0.00 C ATOM 0 H MET A 65 0.520 9.075 -10.014 1.00 0.00 H new ATOM 0 HA MET A 65 -1.511 7.183 -10.063 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.362 8.845 -12.340 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.935 8.073 -12.345 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.142 9.502 -10.043 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.020 10.524 -10.920 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.350 10.703 -11.056 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.183 10.099 -9.856 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.183 11.820 -10.308 1.00 0.00 H new ATOM 1016 N ALA A 66 1.135 6.296 -11.758 1.00 0.00 N ATOM 1017 CA ALA A 66 1.769 5.177 -12.435 1.00 0.00 C ATOM 1018 C ALA A 66 2.035 4.051 -11.444 1.00 0.00 C ATOM 1019 O ALA A 66 2.026 2.874 -11.803 1.00 0.00 O ATOM 1020 CB ALA A 66 3.064 5.621 -13.100 1.00 0.00 C ATOM 0 H ALA A 66 1.757 7.082 -11.567 1.00 0.00 H new ATOM 0 HA ALA A 66 1.097 4.809 -13.210 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.525 4.771 -13.602 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.849 6.401 -13.831 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.746 6.010 -12.344 1.00 0.00 H new ATOM 1026 N LYS A 67 2.272 4.429 -10.191 1.00 0.00 N ATOM 1027 CA LYS A 67 2.540 3.465 -9.134 1.00 0.00 C ATOM 1028 C LYS A 67 1.300 2.627 -8.831 1.00 0.00 C ATOM 1029 O LYS A 67 1.399 1.427 -8.571 1.00 0.00 O ATOM 1030 CB LYS A 67 3.007 4.188 -7.868 1.00 0.00 C ATOM 1031 CG LYS A 67 4.345 3.697 -7.344 1.00 0.00 C ATOM 1032 CD LYS A 67 5.468 3.977 -8.328 1.00 0.00 C ATOM 1033 CE LYS A 67 5.797 5.459 -8.391 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.013 5.792 -7.599 1.00 0.00 N ATOM 0 H LYS A 67 2.283 5.402 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 67 3.330 2.796 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.077 5.256 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.254 4.063 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.564 4.183 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.289 2.626 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.357 3.418 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.181 3.624 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.948 5.753 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.951 6.035 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.203 6.812 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.860 5.535 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.826 5.262 -7.972 1.00 0.00 H new ATOM 1048 N LEU A 68 0.132 3.264 -8.871 1.00 0.00 N ATOM 1049 CA LEU A 68 -1.125 2.563 -8.603 1.00 0.00 C ATOM 1050 C LEU A 68 -1.525 1.694 -9.790 1.00 0.00 C ATOM 1051 O LEU A 68 -2.275 0.730 -9.637 1.00 0.00 O ATOM 1052 CB LEU A 68 -2.272 3.534 -8.261 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.044 5.014 -8.594 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.284 5.620 -9.237 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -1.665 5.784 -7.336 1.00 0.00 C ATOM 0 H LEU A 68 0.028 4.256 -9.084 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.951 1.929 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.167 3.201 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.479 3.453 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.223 5.084 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.100 6.670 -9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.515 5.084 -10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.126 5.540 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.506 6.833 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.469 5.703 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.749 5.368 -6.917 1.00 0.00 H new ATOM 1067 N ALA A 69 -1.018 2.032 -10.973 1.00 0.00 N ATOM 1068 CA ALA A 69 -1.328 1.267 -12.176 1.00 0.00 C ATOM 1069 C ALA A 69 -0.987 -0.209 -11.985 1.00 0.00 C ATOM 1070 O ALA A 69 -1.555 -1.079 -12.644 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.583 1.838 -13.374 1.00 0.00 C ATOM 0 H ALA A 69 -0.395 2.825 -11.123 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.399 1.345 -12.364 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.825 1.256 -14.264 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.880 2.875 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.490 1.792 -13.191 1.00 0.00 H new ATOM 1077 N ASP A 70 -0.059 -0.481 -11.072 1.00 0.00 N ATOM 1078 CA ASP A 70 0.359 -1.848 -10.781 1.00 0.00 C ATOM 1079 C ASP A 70 -0.037 -2.251 -9.360 1.00 0.00 C ATOM 1080 O ASP A 70 0.484 -3.221 -8.812 1.00 0.00 O ATOM 1081 CB ASP A 70 1.872 -1.987 -10.964 1.00 0.00 C ATOM 1082 CG ASP A 70 2.247 -3.209 -11.779 1.00 0.00 C ATOM 1083 OD1 ASP A 70 1.701 -3.371 -12.892 1.00 0.00 O ATOM 1084 OD2 ASP A 70 3.087 -4.003 -11.307 1.00 0.00 O ATOM 0 H ASP A 70 0.419 0.231 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.148 -2.514 -11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.259 -1.094 -11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.349 -2.046 -9.986 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.957 -1.494 -8.765 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.417 -1.767 -7.408 1.00 0.00 C ATOM 1091 C PHE A 71 -2.058 -3.148 -7.309 1.00 0.00 C ATOM 1092 O PHE A 71 -2.777 -3.577 -8.212 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.418 -0.696 -6.969 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.613 -0.626 -5.480 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.634 -0.082 -4.665 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.779 -1.100 -4.899 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -1.812 -0.014 -3.296 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -3.963 -1.034 -3.531 1.00 0.00 C ATOM 1099 CZ PHE A 71 -2.978 -0.490 -2.729 1.00 0.00 C ATOM 0 H PHE A 71 -1.398 -0.686 -9.204 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.550 -1.746 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.078 0.275 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.379 -0.893 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.721 0.293 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.552 -1.525 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.041 0.411 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.875 -1.407 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.120 -0.437 -1.660 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.795 -3.838 -6.203 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.347 -5.170 -5.976 1.00 0.00 C ATOM 1111 C ALA A 72 -2.036 -6.107 -7.140 1.00 0.00 C ATOM 1112 O ALA A 72 -2.939 -6.575 -7.833 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.850 -5.083 -5.753 1.00 0.00 C ATOM 0 H ALA A 72 -1.201 -3.495 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.877 -5.582 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.251 -6.082 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.053 -4.459 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.323 -4.645 -6.632 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.751 -6.379 -7.348 1.00 0.00 N ATOM 1120 CA VAL A 73 -0.324 -7.262 -8.427 1.00 0.00 C ATOM 1121 C VAL A 73 0.148 -8.607 -7.885 1.00 0.00 C ATOM 1122 O VAL A 73 0.562 -8.712 -6.731 1.00 0.00 O ATOM 1123 CB VAL A 73 0.810 -6.631 -9.258 1.00 0.00 C ATOM 1124 CG1 VAL A 73 0.258 -5.565 -10.191 1.00 0.00 C ATOM 1125 CG2 VAL A 73 1.882 -6.051 -8.347 1.00 0.00 C ATOM 0 H VAL A 73 0.011 -6.001 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.192 -7.415 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 73 1.268 -7.411 -9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.073 -5.130 -10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.468 -6.015 -10.868 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.227 -4.784 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.674 -5.610 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.442 -5.284 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.299 -6.843 -7.725 1.00 0.00 H new ATOM 1135 N GLU A 74 0.084 -9.633 -8.728 1.00 0.00 N ATOM 1136 CA GLU A 74 0.506 -10.973 -8.335 1.00 0.00 C ATOM 1137 C GLU A 74 2.027 -11.056 -8.240 1.00 0.00 C ATOM 1138 O GLU A 74 2.710 -11.271 -9.241 1.00 0.00 O ATOM 1139 CB GLU A 74 -0.012 -12.008 -9.335 1.00 0.00 C ATOM 1140 CG GLU A 74 -1.465 -11.798 -9.731 1.00 0.00 C ATOM 1141 CD GLU A 74 -2.165 -13.094 -10.090 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -1.859 -13.656 -11.163 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -3.018 -13.547 -9.298 1.00 0.00 O ATOM 0 H GLU A 74 -0.256 -9.562 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 74 0.085 -11.187 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.608 -11.977 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.098 -13.003 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.996 -11.318 -8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.511 -11.117 -10.581 1.00 0.00 H new ATOM 1150 N GLN A 75 2.549 -10.886 -7.030 1.00 0.00 N ATOM 1151 CA GLN A 75 3.989 -10.941 -6.803 1.00 0.00 C ATOM 1152 C GLN A 75 4.299 -11.415 -5.387 1.00 0.00 C ATOM 1153 O GLN A 75 3.472 -11.286 -4.484 1.00 0.00 O ATOM 1154 CB GLN A 75 4.616 -9.565 -7.046 1.00 0.00 C ATOM 1155 CG GLN A 75 5.692 -9.566 -8.119 1.00 0.00 C ATOM 1156 CD GLN A 75 6.240 -8.180 -8.396 1.00 0.00 C ATOM 1157 OE1 GLN A 75 6.281 -7.734 -9.542 1.00 0.00 O ATOM 1158 NE2 GLN A 75 6.666 -7.491 -7.343 1.00 0.00 N ATOM 0 H GLN A 75 1.997 -10.709 -6.191 1.00 0.00 H new ATOM 0 HA GLN A 75 4.417 -11.656 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.832 -8.863 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.046 -9.201 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.507 -10.220 -7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.282 -9.981 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.613 -7.900 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.046 -6.553 -7.467 1.00 0.00 H new ATOM 1167 N GLU A 76 5.495 -11.963 -5.198 1.00 0.00 N ATOM 1168 CA GLU A 76 5.912 -12.454 -3.889 1.00 0.00 C ATOM 1169 C GLU A 76 6.607 -11.357 -3.092 1.00 0.00 C ATOM 1170 O GLU A 76 7.495 -10.673 -3.601 1.00 0.00 O ATOM 1171 CB GLU A 76 6.852 -13.652 -4.041 1.00 0.00 C ATOM 1172 CG GLU A 76 7.004 -14.468 -2.767 1.00 0.00 C ATOM 1173 CD GLU A 76 5.908 -15.504 -2.605 1.00 0.00 C ATOM 1174 OE1 GLU A 76 4.754 -15.210 -2.979 1.00 0.00 O ATOM 1175 OE2 GLU A 76 6.206 -16.609 -2.105 1.00 0.00 O ATOM 0 H GLU A 76 6.192 -12.078 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 76 5.018 -12.766 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.478 -14.299 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.833 -13.296 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.973 -14.967 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.996 -13.798 -1.907 1.00 0.00 H new ATOM 1182 N VAL A 77 6.203 -11.198 -1.837 1.00 0.00 N ATOM 1183 CA VAL A 77 6.796 -10.188 -0.971 1.00 0.00 C ATOM 1184 C VAL A 77 8.104 -10.693 -0.381 1.00 0.00 C ATOM 1185 O VAL A 77 8.362 -11.896 -0.357 1.00 0.00 O ATOM 1186 CB VAL A 77 5.845 -9.784 0.172 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.385 -8.566 0.906 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.446 -9.514 -0.361 1.00 0.00 C ATOM 0 H VAL A 77 5.469 -11.754 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 77 6.985 -9.309 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 77 5.784 -10.613 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.702 -8.293 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.364 -8.798 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.477 -7.732 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.791 -9.230 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.484 -8.704 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.059 -10.414 -0.839 1.00 0.00 H new ATOM 1198 N THR A 78 8.936 -9.768 0.077 1.00 0.00 N ATOM 1199 CA THR A 78 10.224 -10.128 0.648 1.00 0.00 C ATOM 1200 C THR A 78 10.584 -9.232 1.825 1.00 0.00 C ATOM 1201 O THR A 78 10.005 -8.161 2.001 1.00 0.00 O ATOM 1202 CB THR A 78 11.307 -10.031 -0.423 1.00 0.00 C ATOM 1203 OG1 THR A 78 10.740 -10.060 -1.721 1.00 0.00 O ATOM 1204 CG2 THR A 78 12.315 -11.148 -0.342 1.00 0.00 C ATOM 0 H THR A 78 8.742 -8.767 0.064 1.00 0.00 H new ATOM 0 HA THR A 78 10.155 -11.152 1.014 1.00 0.00 H new ATOM 0 HB THR A 78 11.813 -9.083 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.452 -9.995 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.059 -11.024 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.807 -11.124 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.809 -12.105 -0.469 1.00 0.00 H new ATOM 1212 N ALA A 79 11.554 -9.672 2.623 1.00 0.00 N ATOM 1213 CA ALA A 79 11.993 -8.893 3.772 1.00 0.00 C ATOM 1214 C ALA A 79 12.552 -7.556 3.315 1.00 0.00 C ATOM 1215 O ALA A 79 13.132 -7.450 2.234 1.00 0.00 O ATOM 1216 CB ALA A 79 13.019 -9.657 4.589 1.00 0.00 C ATOM 0 H ALA A 79 12.046 -10.556 2.495 1.00 0.00 H new ATOM 0 HA ALA A 79 11.131 -8.709 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.330 -9.052 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.579 -10.588 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.886 -9.880 3.967 1.00 0.00 H new ATOM 1222 N GLY A 80 12.347 -6.531 4.127 1.00 0.00 N ATOM 1223 CA GLY A 80 12.810 -5.206 3.771 1.00 0.00 C ATOM 1224 C GLY A 80 11.711 -4.414 3.095 1.00 0.00 C ATOM 1225 O GLY A 80 11.637 -3.193 3.232 1.00 0.00 O ATOM 0 H GLY A 80 11.869 -6.592 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.145 -4.681 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.670 -5.283 3.106 1.00 0.00 H new ATOM 1229 N ASP A 81 10.839 -5.123 2.379 1.00 0.00 N ATOM 1230 CA ASP A 81 9.718 -4.494 1.696 1.00 0.00 C ATOM 1231 C ASP A 81 8.574 -4.270 2.684 1.00 0.00 C ATOM 1232 O ASP A 81 8.797 -4.227 3.894 1.00 0.00 O ATOM 1233 CB ASP A 81 9.252 -5.366 0.526 1.00 0.00 C ATOM 1234 CG ASP A 81 10.406 -5.840 -0.336 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.302 -6.529 0.196 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.413 -5.522 -1.544 1.00 0.00 O ATOM 0 H ASP A 81 10.891 -6.135 2.259 1.00 0.00 H new ATOM 0 HA ASP A 81 10.037 -3.530 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.712 -6.230 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.551 -4.801 -0.088 1.00 0.00 H new ATOM 1241 N ARG A 82 7.354 -4.133 2.177 1.00 0.00 N ATOM 1242 CA ARG A 82 6.200 -3.920 3.042 1.00 0.00 C ATOM 1243 C ARG A 82 4.923 -4.457 2.407 1.00 0.00 C ATOM 1244 O ARG A 82 4.874 -4.721 1.206 1.00 0.00 O ATOM 1245 CB ARG A 82 6.039 -2.431 3.356 1.00 0.00 C ATOM 1246 CG ARG A 82 6.605 -2.029 4.709 1.00 0.00 C ATOM 1247 CD ARG A 82 8.072 -1.642 4.609 1.00 0.00 C ATOM 1248 NE ARG A 82 8.265 -0.197 4.713 1.00 0.00 N ATOM 1249 CZ ARG A 82 9.436 0.409 4.532 1.00 0.00 C ATOM 1250 NH1 ARG A 82 10.520 -0.300 4.241 1.00 0.00 N ATOM 1251 NH2 ARG A 82 9.524 1.727 4.643 1.00 0.00 N ATOM 0 H ARG A 82 7.139 -4.165 1.180 1.00 0.00 H new ATOM 0 HA ARG A 82 6.375 -4.466 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.532 -1.849 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.980 -2.174 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.034 -1.191 5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.493 -2.855 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.633 -2.141 5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.476 -1.994 3.660 1.00 0.00 H new ATOM 0 HE ARG A 82 7.455 0.381 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.458 -1.314 4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.415 0.170 4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.694 2.276 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.421 2.192 4.504 1.00 0.00 H new ATOM 1265 N VAL A 83 3.892 -4.610 3.228 1.00 0.00 N ATOM 1266 CA VAL A 83 2.605 -5.109 2.765 1.00 0.00 C ATOM 1267 C VAL A 83 1.470 -4.257 3.322 1.00 0.00 C ATOM 1268 O VAL A 83 1.338 -4.101 4.535 1.00 0.00 O ATOM 1269 CB VAL A 83 2.394 -6.577 3.184 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.033 -7.083 2.727 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.507 -7.451 2.629 1.00 0.00 C ATOM 0 H VAL A 83 3.924 -4.394 4.224 1.00 0.00 H new ATOM 0 HA VAL A 83 2.602 -5.051 1.677 1.00 0.00 H new ATOM 0 HB VAL A 83 2.423 -6.629 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.909 -8.121 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.249 -6.475 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.966 -7.016 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.344 -8.485 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.510 -7.389 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.467 -7.106 3.014 1.00 0.00 H new ATOM 1281 N VAL A 84 0.659 -3.700 2.431 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.455 -2.859 2.842 1.00 0.00 C ATOM 1283 C VAL A 84 -1.756 -3.653 2.909 1.00 0.00 C ATOM 1284 O VAL A 84 -2.265 -4.120 1.890 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.633 -1.654 1.892 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -1.153 -2.098 0.531 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.562 -0.622 2.510 1.00 0.00 C ATOM 0 H VAL A 84 0.753 -3.816 1.422 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.219 -2.487 3.839 1.00 0.00 H new ATOM 0 HB VAL A 84 0.345 -1.196 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.268 -1.228 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.445 -2.794 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.118 -2.590 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.676 0.220 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.537 -1.074 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.141 -0.271 3.452 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.293 -3.799 4.113 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.535 -4.532 4.303 1.00 0.00 C ATOM 1299 C VAL A 85 -4.731 -3.584 4.218 1.00 0.00 C ATOM 1300 O VAL A 85 -4.878 -2.672 5.033 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.539 -5.293 5.646 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.794 -6.136 5.784 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.297 -6.164 5.753 1.00 0.00 C ATOM 0 H VAL A 85 -1.889 -3.420 4.970 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.615 -5.269 3.504 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.531 -4.566 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.775 -6.663 6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.672 -5.491 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.837 -6.860 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.308 -6.698 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.285 -6.883 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.407 -5.537 5.699 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.566 -3.795 3.201 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.742 -2.954 2.962 1.00 0.00 C ATOM 1315 C ILE A 86 -7.604 -2.770 4.213 1.00 0.00 C ATOM 1316 O ILE A 86 -8.409 -1.841 4.284 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.624 -3.511 1.826 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -6.765 -3.958 0.639 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -8.627 -2.457 1.383 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -7.576 -4.410 -0.557 1.00 0.00 C ATOM 0 H ILE A 86 -5.449 -4.548 2.523 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.345 -1.982 2.671 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.164 -4.380 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.118 -3.134 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.116 -4.774 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.246 -2.858 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.260 -2.180 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.095 -1.576 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.903 -4.712 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -8.204 -5.254 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.206 -3.589 -0.901 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.430 -3.642 5.198 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.184 -3.550 6.441 1.00 0.00 C ATOM 1334 C ASP A 87 -7.292 -2.985 7.536 1.00 0.00 C ATOM 1335 O ASP A 87 -7.704 -2.130 8.316 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.717 -4.924 6.853 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.039 -4.833 7.590 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -11.030 -4.381 6.980 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.083 -5.216 8.779 1.00 0.00 O ATOM 0 H ASP A 87 -6.773 -4.421 5.160 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.035 -2.886 6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.841 -5.544 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.983 -5.420 7.488 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.060 -3.470 7.571 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.095 -3.012 8.551 1.00 0.00 C ATOM 1346 C GLY A 88 -4.324 -4.166 9.158 1.00 0.00 C ATOM 1347 O GLY A 88 -4.475 -5.310 8.730 1.00 0.00 O ATOM 0 H GLY A 88 -5.708 -4.181 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.400 -2.317 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.609 -2.463 9.340 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.506 -3.880 10.163 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.731 -4.924 10.820 1.00 0.00 C ATOM 1353 C LEU A 89 -1.905 -4.358 11.972 1.00 0.00 C ATOM 1354 O LEU A 89 -0.897 -3.686 11.758 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.817 -5.629 9.812 1.00 0.00 C ATOM 1356 CG LEU A 89 -2.064 -7.132 9.644 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -0.905 -7.781 8.904 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -2.274 -7.799 10.996 1.00 0.00 C ATOM 0 H LEU A 89 -3.363 -2.942 10.538 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.432 -5.651 11.230 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.934 -5.147 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.782 -5.480 10.119 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.971 -7.266 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.096 -8.848 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.802 -7.326 7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.015 -7.634 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.448 -8.865 10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.388 -7.656 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.137 -7.354 11.491 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.338 -4.649 13.194 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.639 -4.183 14.386 1.00 0.00 C ATOM 1372 C ASP A 90 -1.043 -5.362 15.145 1.00 0.00 C ATOM 1373 O ASP A 90 -1.168 -5.456 16.367 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.594 -3.403 15.291 1.00 0.00 C ATOM 1375 CG ASP A 90 -2.917 -2.026 14.743 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -2.133 -1.518 13.915 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -3.956 -1.458 15.141 1.00 0.00 O ATOM 0 H ASP A 90 -3.171 -5.206 13.385 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.830 -3.521 14.077 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.518 -3.968 15.412 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.150 -3.302 16.281 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.405 -6.270 14.411 1.00 0.00 N ATOM 1383 CA ARG A 91 0.198 -7.449 15.018 1.00 0.00 C ATOM 1384 C ARG A 91 1.083 -8.196 14.021 1.00 0.00 C ATOM 1385 O ARG A 91 0.822 -8.189 12.818 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.897 -8.381 15.535 1.00 0.00 C ATOM 1387 CG ARG A 91 -0.368 -9.603 16.263 1.00 0.00 C ATOM 1388 CD ARG A 91 -0.240 -10.799 15.336 1.00 0.00 C ATOM 1389 NE ARG A 91 -1.326 -11.757 15.527 1.00 0.00 N ATOM 1390 CZ ARG A 91 -1.644 -12.704 14.647 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -0.964 -12.822 13.514 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -2.645 -13.535 14.902 1.00 0.00 N ATOM 0 H ARG A 91 -0.293 -6.211 13.399 1.00 0.00 H new ATOM 0 HA ARG A 91 0.824 -7.120 15.848 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.549 -7.823 16.207 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.510 -8.707 14.695 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.605 -9.374 16.698 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.035 -9.852 17.088 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.236 -10.457 14.301 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.715 -11.294 15.512 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.873 -11.697 16.386 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.193 -12.185 13.313 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.212 -13.550 12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.171 -13.448 15.772 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.889 -14.261 14.228 1.00 0.00 H new ATOM 1406 N MET A 92 2.125 -8.847 14.534 1.00 0.00 N ATOM 1407 CA MET A 92 3.042 -9.609 13.693 1.00 0.00 C ATOM 1408 C MET A 92 2.312 -10.768 13.025 1.00 0.00 C ATOM 1409 O MET A 92 1.848 -11.688 13.698 1.00 0.00 O ATOM 1410 CB MET A 92 4.211 -10.136 14.528 1.00 0.00 C ATOM 1411 CG MET A 92 5.505 -9.368 14.314 1.00 0.00 C ATOM 1412 SD MET A 92 5.998 -8.414 15.763 1.00 0.00 S ATOM 1413 CE MET A 92 4.515 -7.457 16.061 1.00 0.00 C ATOM 0 H MET A 92 2.354 -8.861 15.528 1.00 0.00 H new ATOM 0 HA MET A 92 3.431 -8.949 12.918 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.942 -10.092 15.583 1.00 0.00 H new ATOM 0 HB3 MET A 92 4.376 -11.186 14.285 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.300 -10.068 14.058 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.387 -8.695 13.464 1.00 0.00 H new ATOM 0 HE1 MET A 92 4.785 -6.489 16.482 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.983 -7.308 15.121 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.872 -7.991 16.761 1.00 0.00 H new ATOM 1423 N ALA A 93 2.198 -10.716 11.702 1.00 0.00 N ATOM 1424 CA ALA A 93 1.504 -11.766 10.964 1.00 0.00 C ATOM 1425 C ALA A 93 2.391 -12.414 9.908 1.00 0.00 C ATOM 1426 O ALA A 93 2.966 -11.736 9.060 1.00 0.00 O ATOM 1427 CB ALA A 93 0.241 -11.211 10.323 1.00 0.00 C ATOM 0 H ALA A 93 2.573 -9.965 11.123 1.00 0.00 H new ATOM 0 HA ALA A 93 1.236 -12.542 11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.268 -12.004 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.420 -10.823 11.098 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.505 -10.407 9.636 1.00 0.00 H new ATOM 1433 N HIS A 94 2.484 -13.739 9.962 1.00 0.00 N ATOM 1434 CA HIS A 94 3.290 -14.494 9.010 1.00 0.00 C ATOM 1435 C HIS A 94 2.772 -14.307 7.587 1.00 0.00 C ATOM 1436 O HIS A 94 1.569 -14.169 7.364 1.00 0.00 O ATOM 1437 CB HIS A 94 3.291 -15.979 9.385 1.00 0.00 C ATOM 1438 CG HIS A 94 3.831 -16.883 8.318 1.00 0.00 C ATOM 1439 ND1 HIS A 94 3.121 -17.212 7.184 1.00 0.00 N ATOM 1440 CD2 HIS A 94 5.014 -17.533 8.222 1.00 0.00 C ATOM 1441 CE1 HIS A 94 3.843 -18.028 6.437 1.00 0.00 C ATOM 1442 NE2 HIS A 94 4.997 -18.239 7.044 1.00 0.00 N ATOM 0 H HIS A 94 2.009 -14.314 10.658 1.00 0.00 H new ATOM 0 HA HIS A 94 4.312 -14.117 9.050 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.881 -16.113 10.291 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.271 -16.283 9.621 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.184 -16.878 6.957 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.821 -17.502 8.939 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.541 -18.451 5.490 1.00 0.00 H new ATOM 1451 N PHE A 95 3.693 -14.301 6.628 1.00 0.00 N ATOM 1452 CA PHE A 95 3.337 -14.127 5.226 1.00 0.00 C ATOM 1453 C PHE A 95 3.839 -15.293 4.372 1.00 0.00 C ATOM 1454 O PHE A 95 3.262 -15.594 3.327 1.00 0.00 O ATOM 1455 CB PHE A 95 3.904 -12.805 4.702 1.00 0.00 C ATOM 1456 CG PHE A 95 3.711 -12.605 3.225 1.00 0.00 C ATOM 1457 CD1 PHE A 95 2.526 -12.079 2.733 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.712 -12.942 2.329 1.00 0.00 C ATOM 1459 CE1 PHE A 95 2.345 -11.894 1.375 1.00 0.00 C ATOM 1460 CE2 PHE A 95 4.538 -12.759 0.971 1.00 0.00 C ATOM 1461 CZ PHE A 95 3.352 -12.233 0.493 1.00 0.00 C ATOM 0 H PHE A 95 4.692 -14.415 6.798 1.00 0.00 H new ATOM 0 HA PHE A 95 2.250 -14.106 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.431 -11.981 5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.969 -12.762 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.736 -11.811 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.640 -13.353 2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.417 -11.485 1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.327 -13.026 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.213 -12.088 -0.568 1.00 0.00 H new ATOM 1471 N LYS A 96 4.911 -15.948 4.817 1.00 0.00 N ATOM 1472 CA LYS A 96 5.476 -17.077 4.078 1.00 0.00 C ATOM 1473 C LYS A 96 6.683 -17.656 4.807 1.00 0.00 C ATOM 1474 O LYS A 96 7.473 -16.919 5.396 1.00 0.00 O ATOM 1475 CB LYS A 96 5.881 -16.645 2.666 1.00 0.00 C ATOM 1476 CG LYS A 96 7.021 -15.639 2.639 1.00 0.00 C ATOM 1477 CD LYS A 96 7.211 -15.047 1.250 1.00 0.00 C ATOM 1478 CE LYS A 96 8.679 -15.010 0.855 1.00 0.00 C ATOM 1479 NZ LYS A 96 9.029 -16.109 -0.087 1.00 0.00 N ATOM 0 H LYS A 96 5.403 -15.718 5.680 1.00 0.00 H new ATOM 0 HA LYS A 96 4.709 -17.848 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.172 -17.527 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.015 -16.213 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.819 -14.839 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.943 -16.124 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.652 -15.636 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.801 -14.037 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.906 -14.049 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.298 -15.088 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.030 -16.028 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.868 -17.027 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.434 -16.041 -0.937 1.00 0.00 H new ATOM 1493 N ASP A 97 6.820 -18.981 4.763 1.00 0.00 N ATOM 1494 CA ASP A 97 7.932 -19.666 5.420 1.00 0.00 C ATOM 1495 C ASP A 97 8.106 -19.168 6.856 1.00 0.00 C ATOM 1496 O ASP A 97 7.494 -19.700 7.781 1.00 0.00 O ATOM 1497 CB ASP A 97 9.225 -19.472 4.622 1.00 0.00 C ATOM 1498 CG ASP A 97 9.509 -20.633 3.691 1.00 0.00 C ATOM 1499 OD1 ASP A 97 8.559 -21.122 3.044 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.682 -21.055 3.608 1.00 0.00 O ATOM 0 H ASP A 97 6.173 -19.602 4.278 1.00 0.00 H new ATOM 0 HA ASP A 97 7.704 -20.731 5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.156 -18.552 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.060 -19.351 5.312 1.00 0.00 H new ATOM 1505 N ASP A 98 8.930 -18.139 7.037 1.00 0.00 N ATOM 1506 CA ASP A 98 9.159 -17.572 8.361 1.00 0.00 C ATOM 1507 C ASP A 98 9.140 -16.045 8.318 1.00 0.00 C ATOM 1508 O ASP A 98 9.423 -15.387 9.319 1.00 0.00 O ATOM 1509 CB ASP A 98 10.490 -18.065 8.936 1.00 0.00 C ATOM 1510 CG ASP A 98 10.722 -19.542 8.682 1.00 0.00 C ATOM 1511 OD1 ASP A 98 10.201 -20.367 9.461 1.00 0.00 O ATOM 1512 OD2 ASP A 98 11.425 -19.873 7.704 1.00 0.00 O ATOM 0 H ASP A 98 9.448 -17.683 6.286 1.00 0.00 H new ATOM 0 HA ASP A 98 8.349 -17.906 9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.306 -17.492 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.510 -17.877 10.009 1.00 0.00 H new ATOM 1517 N LEU A 99 8.798 -15.482 7.161 1.00 0.00 N ATOM 1518 CA LEU A 99 8.734 -14.036 7.007 1.00 0.00 C ATOM 1519 C LEU A 99 7.370 -13.521 7.442 1.00 0.00 C ATOM 1520 O LEU A 99 6.345 -13.908 6.880 1.00 0.00 O ATOM 1521 CB LEU A 99 9.000 -13.645 5.551 1.00 0.00 C ATOM 1522 CG LEU A 99 10.464 -13.359 5.211 1.00 0.00 C ATOM 1523 CD1 LEU A 99 10.607 -13.002 3.740 1.00 0.00 C ATOM 1524 CD2 LEU A 99 11.008 -12.240 6.090 1.00 0.00 C ATOM 0 H LEU A 99 8.562 -16.007 6.319 1.00 0.00 H new ATOM 0 HA LEU A 99 9.500 -13.585 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.644 -14.447 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.409 -12.760 5.315 1.00 0.00 H new ATOM 0 HG LEU A 99 11.046 -14.260 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.654 -12.801 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.257 -13.833 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.012 -12.115 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.050 -12.050 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.424 -11.334 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.939 -12.534 7.137 1.00 0.00 H new ATOM 1536 N VAL A 100 7.355 -12.653 8.445 1.00 0.00 N ATOM 1537 CA VAL A 100 6.105 -12.102 8.945 1.00 0.00 C ATOM 1538 C VAL A 100 5.980 -10.619 8.641 1.00 0.00 C ATOM 1539 O VAL A 100 6.908 -9.989 8.138 1.00 0.00 O ATOM 1540 CB VAL A 100 5.944 -12.302 10.465 1.00 0.00 C ATOM 1541 CG1 VAL A 100 5.948 -13.778 10.828 1.00 0.00 C ATOM 1542 CG2 VAL A 100 7.023 -11.554 11.233 1.00 0.00 C ATOM 0 H VAL A 100 8.190 -12.317 8.925 1.00 0.00 H new ATOM 0 HA VAL A 100 5.318 -12.650 8.427 1.00 0.00 H new ATOM 0 HB VAL A 100 4.977 -11.888 10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.833 -13.888 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.123 -14.279 10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.891 -14.227 10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.885 -11.713 12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.004 -11.924 10.935 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.954 -10.489 11.013 1.00 0.00 H new ATOM 1552 N LEU A 101 4.817 -10.075 8.965 1.00 0.00 N ATOM 1553 CA LEU A 101 4.533 -8.669 8.749 1.00 0.00 C ATOM 1554 C LEU A 101 4.297 -7.973 10.085 1.00 0.00 C ATOM 1555 O LEU A 101 3.426 -8.376 10.854 1.00 0.00 O ATOM 1556 CB LEU A 101 3.299 -8.525 7.860 1.00 0.00 C ATOM 1557 CG LEU A 101 3.565 -8.629 6.359 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.267 -8.864 5.604 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.260 -7.373 5.858 1.00 0.00 C ATOM 0 H LEU A 101 4.047 -10.596 9.384 1.00 0.00 H new ATOM 0 HA LEU A 101 5.386 -8.203 8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.578 -9.293 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.834 -7.561 8.065 1.00 0.00 H new ATOM 0 HG LEU A 101 4.222 -9.480 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.475 -8.936 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.809 -9.792 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.585 -8.034 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.443 -7.461 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.627 -6.506 6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.209 -7.250 6.380 1.00 0.00 H new ATOM 1571 N VAL A 102 5.074 -6.933 10.357 1.00 0.00 N ATOM 1572 CA VAL A 102 4.938 -6.196 11.607 1.00 0.00 C ATOM 1573 C VAL A 102 4.286 -4.838 11.377 1.00 0.00 C ATOM 1574 O VAL A 102 4.636 -4.129 10.435 1.00 0.00 O ATOM 1575 CB VAL A 102 6.304 -5.980 12.287 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.123 -5.379 13.673 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.084 -7.284 12.362 1.00 0.00 C ATOM 0 H VAL A 102 5.801 -6.582 9.733 1.00 0.00 H new ATOM 0 HA VAL A 102 4.305 -6.799 12.258 1.00 0.00 H new ATOM 0 HB VAL A 102 6.878 -5.278 11.682 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.099 -5.234 14.137 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.615 -4.418 13.590 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.526 -6.053 14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.044 -7.106 12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.517 -8.015 12.939 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.250 -7.667 11.355 1.00 0.00 H new ATOM 1587 N PRO A 103 3.334 -4.445 12.243 1.00 0.00 N ATOM 1588 CA PRO A 103 2.645 -3.157 12.128 1.00 0.00 C ATOM 1589 C PRO A 103 3.627 -2.012 11.910 1.00 0.00 C ATOM 1590 O PRO A 103 4.553 -1.817 12.698 1.00 0.00 O ATOM 1591 CB PRO A 103 1.926 -3.003 13.480 1.00 0.00 C ATOM 1592 CG PRO A 103 2.416 -4.127 14.338 1.00 0.00 C ATOM 1593 CD PRO A 103 2.856 -5.211 13.399 1.00 0.00 C ATOM 0 HA PRO A 103 1.967 -3.128 11.275 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.152 -2.038 13.934 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.844 -3.051 13.354 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.242 -3.802 14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.627 -4.483 15.001 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.643 -5.829 13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.036 -5.878 13.134 1.00 0.00 H new ATOM 1601 N LEU A 104 3.432 -1.268 10.826 1.00 0.00 N ATOM 1602 CA LEU A 104 4.318 -0.158 10.498 1.00 0.00 C ATOM 1603 C LEU A 104 3.561 1.165 10.405 1.00 0.00 C ATOM 1604 O LEU A 104 3.951 2.151 11.029 1.00 0.00 O ATOM 1605 CB LEU A 104 5.038 -0.443 9.180 1.00 0.00 C ATOM 1606 CG LEU A 104 6.409 0.212 9.038 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.362 -0.307 10.105 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.977 -0.033 7.648 1.00 0.00 C ATOM 0 H LEU A 104 2.671 -1.413 10.162 1.00 0.00 H new ATOM 0 HA LEU A 104 5.047 -0.064 11.303 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.155 -1.521 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.405 -0.108 8.358 1.00 0.00 H new ATOM 0 HG LEU A 104 6.292 1.287 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.334 0.171 9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.962 -0.078 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.473 -1.386 10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.955 0.442 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.079 -1.105 7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.305 0.389 6.901 1.00 0.00 H new ATOM 1620 N THR A 105 2.485 1.191 9.621 1.00 0.00 N ATOM 1621 CA THR A 105 1.701 2.413 9.461 1.00 0.00 C ATOM 1622 C THR A 105 0.243 2.115 9.147 1.00 0.00 C ATOM 1623 O THR A 105 -0.066 1.430 8.177 1.00 0.00 O ATOM 1624 CB THR A 105 2.303 3.286 8.358 1.00 0.00 C ATOM 1625 OG1 THR A 105 3.716 3.318 8.460 1.00 0.00 O ATOM 1626 CG2 THR A 105 1.809 4.716 8.390 1.00 0.00 C ATOM 0 H THR A 105 2.139 0.390 9.093 1.00 0.00 H new ATOM 0 HA THR A 105 1.734 2.949 10.410 1.00 0.00 H new ATOM 0 HB THR A 105 1.984 2.829 7.421 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.083 3.880 7.746 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.275 5.280 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.726 4.730 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.070 5.170 9.346 1.00 0.00 H new ATOM 1634 N THR A 106 -0.650 2.648 9.980 1.00 0.00 N ATOM 1635 CA THR A 106 -2.085 2.455 9.802 1.00 0.00 C ATOM 1636 C THR A 106 -2.775 3.778 9.485 1.00 0.00 C ATOM 1637 O THR A 106 -2.852 4.666 10.334 1.00 0.00 O ATOM 1638 CB THR A 106 -2.697 1.836 11.059 1.00 0.00 C ATOM 1639 OG1 THR A 106 -2.032 0.634 11.402 1.00 0.00 O ATOM 1640 CG2 THR A 106 -4.170 1.521 10.912 1.00 0.00 C ATOM 0 H THR A 106 -0.401 3.219 10.788 1.00 0.00 H new ATOM 0 HA THR A 106 -2.235 1.777 8.962 1.00 0.00 H new ATOM 0 HB THR A 106 -2.578 2.588 11.839 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.370 0.307 12.262 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.543 1.084 11.838 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.718 2.438 10.697 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.311 0.813 10.095 1.00 0.00 H new ATOM 1648 N LYS A 107 -3.275 3.902 8.260 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.959 5.117 7.835 1.00 0.00 C ATOM 1650 C LYS A 107 -5.249 4.785 7.092 1.00 0.00 C ATOM 1651 O LYS A 107 -5.352 3.746 6.440 1.00 0.00 O ATOM 1652 CB LYS A 107 -3.042 5.958 6.942 1.00 0.00 C ATOM 1653 CG LYS A 107 -2.390 7.124 7.667 1.00 0.00 C ATOM 1654 CD LYS A 107 -1.227 7.695 6.873 1.00 0.00 C ATOM 1655 CE LYS A 107 -0.159 8.273 7.787 1.00 0.00 C ATOM 1656 NZ LYS A 107 1.052 8.692 7.030 1.00 0.00 N ATOM 0 H LYS A 107 -3.219 3.177 7.545 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.213 5.691 8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.263 5.317 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.620 6.341 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.130 7.905 7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.037 6.794 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.791 6.913 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.591 8.472 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.566 9.130 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.119 7.531 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.651 9.288 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.587 7.850 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.766 9.231 6.188 1.00 0.00 H new ATOM 1670 N VAL A 108 -6.232 5.673 7.197 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.516 5.475 6.536 1.00 0.00 C ATOM 1672 C VAL A 108 -7.720 6.489 5.416 1.00 0.00 C ATOM 1673 O VAL A 108 -7.469 7.681 5.591 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.686 5.587 7.532 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.986 5.138 6.883 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -8.400 4.774 8.786 1.00 0.00 C ATOM 0 H VAL A 108 -6.164 6.537 7.734 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.502 4.469 6.116 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.793 6.633 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.801 5.224 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -10.197 5.767 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.893 4.100 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.237 4.865 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.264 3.726 8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.493 5.147 9.263 1.00 0.00 H new ATOM 1686 N VAL A 109 -8.175 6.007 4.263 1.00 0.00 N ATOM 1687 CA VAL A 109 -8.413 6.872 3.115 1.00 0.00 C ATOM 1688 C VAL A 109 -9.758 6.567 2.466 1.00 0.00 C ATOM 1689 O VAL A 109 -10.020 5.434 2.060 1.00 0.00 O ATOM 1690 CB VAL A 109 -7.302 6.724 2.059 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -7.445 7.787 0.979 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.930 6.799 2.712 1.00 0.00 C ATOM 0 H VAL A 109 -8.386 5.022 4.100 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.416 7.896 3.488 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.402 5.746 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.651 7.666 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.413 7.681 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.373 8.776 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.158 6.692 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.817 7.761 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.831 5.997 3.443 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.609 7.583 2.373 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.918 7.402 1.775 1.00 0.00 C ATOM 1704 C GLY A 110 -12.881 6.680 2.697 1.00 0.00 C ATOM 1705 O GLY A 110 -13.905 7.235 3.095 1.00 0.00 O ATOM 0 H GLY A 110 -10.415 8.529 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.332 8.376 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.816 6.838 0.848 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.552 5.438 3.037 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.404 4.659 3.916 1.00 0.00 C ATOM 1711 C GLY A 111 -12.902 3.241 4.107 1.00 0.00 C ATOM 1712 O GLY A 111 -13.670 2.284 4.003 1.00 0.00 O ATOM 0 H GLY A 111 -11.710 4.957 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.467 5.152 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.414 4.631 3.507 1.00 0.00 H new ATOM 1716 N SER A 112 -11.609 3.105 4.388 1.00 0.00 N ATOM 1717 CA SER A 112 -11.008 1.792 4.594 1.00 0.00 C ATOM 1718 C SER A 112 -9.650 1.913 5.279 1.00 0.00 C ATOM 1719 O SER A 112 -8.795 2.690 4.853 1.00 0.00 O ATOM 1720 CB SER A 112 -10.854 1.064 3.257 1.00 0.00 C ATOM 1721 OG SER A 112 -11.978 0.243 2.990 1.00 0.00 O ATOM 0 H SER A 112 -10.959 3.886 4.478 1.00 0.00 H new ATOM 0 HA SER A 112 -11.670 1.216 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.733 1.792 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.950 0.455 3.273 1.00 0.00 H new ATOM 0 HG SER A 112 -12.796 0.711 3.258 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.459 1.136 6.340 1.00 0.00 N ATOM 1728 CA ARG A 113 -8.204 1.150 7.085 1.00 0.00 C ATOM 1729 C ARG A 113 -7.095 0.468 6.294 1.00 0.00 C ATOM 1730 O ARG A 113 -7.166 -0.729 6.018 1.00 0.00 O ATOM 1731 CB ARG A 113 -8.380 0.449 8.430 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.990 1.336 9.505 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.276 1.176 10.838 1.00 0.00 C ATOM 1734 NE ARG A 113 -9.177 0.711 11.890 1.00 0.00 N ATOM 1735 CZ ARG A 113 -8.809 0.536 13.158 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -7.561 0.786 13.534 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -9.691 0.111 14.051 1.00 0.00 N ATOM 0 H ARG A 113 -10.158 0.488 6.704 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.924 2.190 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.012 -0.428 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.409 0.092 8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.941 2.378 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.045 1.089 9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.454 0.469 10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.838 2.130 11.131 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.145 0.509 11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.878 1.114 12.851 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.284 0.650 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.652 -0.082 13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.409 -0.023 15.022 1.00 0.00 H new ATOM 1751 N CYS A 114 -6.073 1.230 5.928 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.956 0.687 5.165 1.00 0.00 C ATOM 1753 C CYS A 114 -3.661 0.728 5.970 1.00 0.00 C ATOM 1754 O CYS A 114 -2.970 1.747 5.997 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.780 1.464 3.859 1.00 0.00 C ATOM 1756 SG CYS A 114 -6.330 1.830 3.002 1.00 0.00 S ATOM 0 H CYS A 114 -5.994 2.223 6.146 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.183 -0.355 4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.266 2.401 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.135 0.891 3.192 1.00 0.00 H new ATOM 0 HG CYS A 114 -6.327 1.255 1.836 1.00 0.00 H new ATOM 1762 N THR A 115 -3.331 -0.387 6.616 1.00 0.00 N ATOM 1763 CA THR A 115 -2.110 -0.472 7.409 1.00 0.00 C ATOM 1764 C THR A 115 -0.989 -1.117 6.604 1.00 0.00 C ATOM 1765 O THR A 115 -1.237 -1.933 5.718 1.00 0.00 O ATOM 1766 CB THR A 115 -2.341 -1.267 8.693 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.363 -0.670 9.475 1.00 0.00 O ATOM 1768 CG2 THR A 115 -1.097 -1.373 9.550 1.00 0.00 C ATOM 0 H THR A 115 -3.890 -1.240 6.606 1.00 0.00 H new ATOM 0 HA THR A 115 -1.820 0.545 7.675 1.00 0.00 H new ATOM 0 HB THR A 115 -2.631 -2.268 8.375 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.023 -0.491 10.377 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.322 -1.948 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.309 -1.873 8.987 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.764 -0.374 9.833 1.00 0.00 H new ATOM 1776 N ILE A 116 0.245 -0.757 6.933 1.00 0.00 N ATOM 1777 CA ILE A 116 1.408 -1.309 6.255 1.00 0.00 C ATOM 1778 C ILE A 116 2.335 -1.969 7.270 1.00 0.00 C ATOM 1779 O ILE A 116 2.487 -1.477 8.388 1.00 0.00 O ATOM 1780 CB ILE A 116 2.164 -0.225 5.450 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.757 -0.827 4.176 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.255 0.431 6.283 1.00 0.00 C ATOM 1783 CD1 ILE A 116 3.555 0.165 3.357 1.00 0.00 C ATOM 0 H ILE A 116 0.465 -0.084 7.667 1.00 0.00 H new ATOM 0 HA ILE A 116 1.063 -2.060 5.545 1.00 0.00 H new ATOM 0 HB ILE A 116 1.446 0.548 5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.400 -1.666 4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.950 -1.227 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.764 1.187 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.810 0.901 7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.973 -0.324 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.947 -0.329 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.911 0.992 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.383 0.547 3.954 1.00 0.00 H new ATOM 1795 N CYS A 117 2.930 -3.094 6.895 1.00 0.00 N ATOM 1796 CA CYS A 117 3.806 -3.813 7.809 1.00 0.00 C ATOM 1797 C CYS A 117 5.117 -4.226 7.153 1.00 0.00 C ATOM 1798 O CYS A 117 5.141 -4.684 6.010 1.00 0.00 O ATOM 1799 CB CYS A 117 3.090 -5.054 8.335 1.00 0.00 C ATOM 1800 SG CYS A 117 1.568 -4.702 9.243 1.00 0.00 S ATOM 0 H CYS A 117 2.824 -3.524 5.976 1.00 0.00 H new ATOM 0 HA CYS A 117 4.047 -3.135 8.628 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.856 -5.708 7.495 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.770 -5.603 8.987 1.00 0.00 H new ATOM 0 HG CYS A 117 1.298 -5.694 10.039 1.00 0.00 H new ATOM 1806 N ASP A 118 6.207 -4.086 7.905 1.00 0.00 N ATOM 1807 CA ASP A 118 7.525 -4.470 7.421 1.00 0.00 C ATOM 1808 C ASP A 118 7.651 -5.988 7.416 1.00 0.00 C ATOM 1809 O ASP A 118 7.243 -6.654 8.368 1.00 0.00 O ATOM 1810 CB ASP A 118 8.617 -3.856 8.299 1.00 0.00 C ATOM 1811 CG ASP A 118 9.916 -3.646 7.547 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.675 -4.625 7.388 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.176 -2.503 7.117 1.00 0.00 O ATOM 0 H ASP A 118 6.200 -3.709 8.853 1.00 0.00 H new ATOM 0 HA ASP A 118 7.648 -4.097 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.269 -2.900 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.798 -4.505 9.156 1.00 0.00 H new ATOM 1818 N VAL A 119 8.211 -6.534 6.344 1.00 0.00 N ATOM 1819 CA VAL A 119 8.377 -7.973 6.232 1.00 0.00 C ATOM 1820 C VAL A 119 9.678 -8.407 6.892 1.00 0.00 C ATOM 1821 O VAL A 119 10.763 -8.048 6.438 1.00 0.00 O ATOM 1822 CB VAL A 119 8.362 -8.428 4.759 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.034 -9.909 4.663 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.368 -7.604 3.949 1.00 0.00 C ATOM 0 H VAL A 119 8.556 -6.003 5.544 1.00 0.00 H new ATOM 0 HA VAL A 119 7.537 -8.444 6.743 1.00 0.00 H new ATOM 0 HB VAL A 119 9.356 -8.267 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.028 -10.213 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.786 -10.484 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.053 -10.093 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.374 -7.942 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.368 -7.728 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.650 -6.552 3.989 1.00 0.00 H new ATOM 1834 N VAL A 120 9.564 -9.161 7.981 1.00 0.00 N ATOM 1835 CA VAL A 120 10.745 -9.614 8.706 1.00 0.00 C ATOM 1836 C VAL A 120 10.692 -11.112 8.983 1.00 0.00 C ATOM 1837 O VAL A 120 9.624 -11.676 9.212 1.00 0.00 O ATOM 1838 CB VAL A 120 10.908 -8.855 10.039 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.732 -7.594 9.833 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.551 -8.517 10.637 1.00 0.00 C ATOM 0 H VAL A 120 8.676 -9.468 8.377 1.00 0.00 H new ATOM 0 HA VAL A 120 11.604 -9.405 8.068 1.00 0.00 H new ATOM 0 HB VAL A 120 11.435 -9.502 10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.838 -7.070 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.718 -7.862 9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.231 -6.945 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.690 -7.982 11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.993 -7.890 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.996 -9.437 10.822 1.00 0.00 H new ATOM 1850 N LYS A 121 11.859 -11.748 8.955 1.00 0.00 N ATOM 1851 CA LYS A 121 11.957 -13.183 9.198 1.00 0.00 C ATOM 1852 C LYS A 121 11.781 -13.503 10.678 1.00 0.00 C ATOM 1853 O LYS A 121 12.081 -12.680 11.543 1.00 0.00 O ATOM 1854 CB LYS A 121 13.306 -13.710 8.705 1.00 0.00 C ATOM 1855 CG LYS A 121 13.293 -15.193 8.365 1.00 0.00 C ATOM 1856 CD LYS A 121 13.507 -15.430 6.878 1.00 0.00 C ATOM 1857 CE LYS A 121 12.508 -16.434 6.323 1.00 0.00 C ATOM 1858 NZ LYS A 121 13.018 -17.830 6.409 1.00 0.00 N ATOM 0 H LYS A 121 12.751 -11.291 8.766 1.00 0.00 H new ATOM 0 HA LYS A 121 11.156 -13.675 8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.606 -13.146 7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.060 -13.528 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.073 -15.703 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.341 -15.628 8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.412 -14.486 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.521 -15.793 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.570 -16.355 6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.289 -16.191 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.231 -18.181 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.883 -17.849 6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.296 -18.437 6.848 1.00 0.00 H new ATOM 1872 N GLU A 122 11.290 -14.704 10.959 1.00 0.00 N ATOM 1873 CA GLU A 122 11.069 -15.142 12.333 1.00 0.00 C ATOM 1874 C GLU A 122 12.312 -15.826 12.892 1.00 0.00 C ATOM 1875 O GLU A 122 13.038 -16.507 12.168 1.00 0.00 O ATOM 1876 CB GLU A 122 9.872 -16.095 12.395 1.00 0.00 C ATOM 1877 CG GLU A 122 9.607 -16.655 13.783 1.00 0.00 C ATOM 1878 CD GLU A 122 8.187 -16.403 14.254 1.00 0.00 C ATOM 1879 OE1 GLU A 122 7.767 -15.227 14.269 1.00 0.00 O ATOM 1880 OE2 GLU A 122 7.497 -17.381 14.608 1.00 0.00 O ATOM 0 H GLU A 122 11.037 -15.394 10.252 1.00 0.00 H new ATOM 0 HA GLU A 122 10.858 -14.263 12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.982 -15.569 12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 122 10.041 -16.922 11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.800 -17.728 13.780 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.305 -16.207 14.490 1.00 0.00 H new ATOM 1887 N GLU A 123 12.551 -15.640 14.187 1.00 0.00 N ATOM 1888 CA GLU A 123 13.705 -16.240 14.846 1.00 0.00 C ATOM 1889 C GLU A 123 13.522 -16.255 16.360 1.00 0.00 C ATOM 1890 O GLU A 123 14.133 -17.120 17.021 1.00 0.00 O ATOM 1891 CB GLU A 123 14.980 -15.478 14.482 1.00 0.00 C ATOM 1892 CG GLU A 123 14.855 -13.971 14.640 1.00 0.00 C ATOM 1893 CD GLU A 123 16.172 -13.312 15.002 1.00 0.00 C ATOM 1894 OE1 GLU A 123 16.639 -13.505 16.144 1.00 0.00 O ATOM 1895 OE2 GLU A 123 16.737 -12.602 14.143 1.00 0.00 O ATOM 1896 OXT GLU A 123 12.768 -15.400 16.872 1.00 0.00 O ATOM 0 H GLU A 123 11.960 -15.078 14.800 1.00 0.00 H new ATOM 0 HA GLU A 123 13.794 -17.270 14.500 1.00 0.00 H new ATOM 0 HB2 GLU A 123 15.797 -15.834 15.109 1.00 0.00 H new ATOM 0 HB3 GLU A 123 15.247 -15.706 13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.481 -13.542 13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.118 -13.750 15.412 1.00 0.00 H new TER 1903 GLU A 123