USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 MET CE :methyl 156:sc= -4.12! (180deg=-7.07!) USER MOD Set 2.1: A 26 SER OG : rot 132:sc= 1.01 USER MOD Set 2.2: A 62 GLN : amide:sc= 0.524 K(o=1.5,f=-9.1!) USER MOD Single : A 5 THR OG1 : rot -61:sc= 0.141 USER MOD Single : A 8 GLN : amide:sc= -2.76! C(o=-2.8!,f=-4.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.68! K(o=-1.7!,f=-1.1) USER MOD Single : A 24 ASN : amide:sc= -11.5! C(o=-12!,f=-11!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 61:sc= 0.24 USER MOD Single : A 44 SER OG : rot 40:sc= 0.94 USER MOD Single : A 49 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.66) USER MOD Single : A 53 ASN : amide:sc= -0.0301 X(o=-0.03,f=0) USER MOD Single : A 60 ASN : amide:sc= -4.54! C(o=-4.5!,f=-13!) USER MOD Single : A 61 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-2.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -118:sc= -0.568 (180deg=-2.71) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.492 0.381 -18.997 1.00 0.00 N ATOM 40 CA LEU A 4 -14.617 0.448 -17.793 1.00 0.00 C ATOM 41 C LEU A 4 -15.405 0.028 -16.544 1.00 0.00 C ATOM 42 O LEU A 4 -15.850 -1.097 -16.438 1.00 0.00 O ATOM 43 CB LEU A 4 -14.178 1.912 -17.709 1.00 0.00 C ATOM 44 CG LEU A 4 -13.643 2.362 -19.069 1.00 0.00 C ATOM 45 CD1 LEU A 4 -13.054 3.769 -18.946 1.00 0.00 C ATOM 46 CD2 LEU A 4 -12.554 1.393 -19.534 1.00 0.00 C ATOM 0 HA LEU A 4 -13.761 -0.223 -17.856 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.019 2.539 -17.412 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.408 2.029 -16.946 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.457 2.371 -19.794 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.673 4.090 -19.915 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.829 4.460 -18.614 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.240 3.761 -18.221 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.172 1.713 -20.503 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.741 1.384 -18.808 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.972 0.390 -19.622 1.00 0.00 H new ATOM 58 N THR A 5 -15.586 0.913 -15.598 1.00 0.00 N ATOM 59 CA THR A 5 -16.350 0.542 -14.371 1.00 0.00 C ATOM 60 C THR A 5 -15.770 -0.735 -13.756 1.00 0.00 C ATOM 61 O THR A 5 -14.582 -0.977 -13.816 1.00 0.00 O ATOM 62 CB THR A 5 -17.790 0.300 -14.843 1.00 0.00 C ATOM 63 OG1 THR A 5 -17.906 -1.025 -15.344 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.156 1.297 -15.946 1.00 0.00 C ATOM 0 H THR A 5 -15.239 1.872 -15.622 1.00 0.00 H new ATOM 0 HA THR A 5 -16.300 1.320 -13.609 1.00 0.00 H new ATOM 0 HB THR A 5 -18.469 0.436 -14.001 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.300 -1.141 -16.106 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.180 1.117 -16.274 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.072 2.313 -15.561 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.477 1.172 -16.790 1.00 0.00 H new ATOM 72 N GLU A 6 -16.600 -1.550 -13.165 1.00 0.00 N ATOM 73 CA GLU A 6 -16.099 -2.812 -12.547 1.00 0.00 C ATOM 74 C GLU A 6 -15.065 -3.474 -13.462 1.00 0.00 C ATOM 75 O GLU A 6 -14.156 -4.141 -13.010 1.00 0.00 O ATOM 76 CB GLU A 6 -17.339 -3.695 -12.402 1.00 0.00 C ATOM 77 CG GLU A 6 -17.719 -4.285 -13.762 1.00 0.00 C ATOM 78 CD GLU A 6 -16.886 -5.541 -14.025 1.00 0.00 C ATOM 79 OE1 GLU A 6 -16.374 -6.098 -13.070 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.776 -5.924 -15.178 1.00 0.00 O ATOM 0 H GLU A 6 -17.605 -1.397 -13.083 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.607 -2.641 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.144 -4.497 -11.689 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.169 -3.110 -12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.781 -4.530 -13.780 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.548 -3.551 -14.549 1.00 0.00 H new ATOM 87 N GLU A 7 -15.197 -3.285 -14.745 1.00 0.00 N ATOM 88 CA GLU A 7 -14.223 -3.893 -15.692 1.00 0.00 C ATOM 89 C GLU A 7 -12.871 -3.196 -15.548 1.00 0.00 C ATOM 90 O GLU A 7 -11.841 -3.831 -15.427 1.00 0.00 O ATOM 91 CB GLU A 7 -14.811 -3.646 -17.082 1.00 0.00 C ATOM 92 CG GLU A 7 -14.611 -4.890 -17.949 1.00 0.00 C ATOM 93 CD GLU A 7 -15.960 -5.350 -18.503 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.479 -4.678 -19.379 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.453 -6.366 -18.040 1.00 0.00 O ATOM 0 H GLU A 7 -15.938 -2.735 -15.179 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.064 -4.955 -15.507 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.873 -3.412 -17.003 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.328 -2.785 -17.545 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.926 -4.669 -18.768 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.157 -5.687 -17.360 1.00 0.00 H new ATOM 102 N GLN A 8 -12.869 -1.892 -15.540 1.00 0.00 N ATOM 103 CA GLN A 8 -11.584 -1.158 -15.384 1.00 0.00 C ATOM 104 C GLN A 8 -11.093 -1.314 -13.944 1.00 0.00 C ATOM 105 O GLN A 8 -9.942 -1.607 -13.694 1.00 0.00 O ATOM 106 CB GLN A 8 -11.904 0.307 -15.723 1.00 0.00 C ATOM 107 CG GLN A 8 -12.343 1.069 -14.467 1.00 0.00 C ATOM 108 CD GLN A 8 -12.517 2.551 -14.803 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.838 3.074 -15.665 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.404 3.255 -14.155 1.00 0.00 N ATOM 0 H GLN A 8 -13.698 -1.306 -15.634 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.793 -1.535 -16.033 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.026 0.786 -16.157 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.693 0.348 -16.474 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.279 0.659 -14.089 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.601 0.949 -13.678 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.974 2.816 -13.432 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.528 4.244 -14.372 1.00 0.00 H new ATOM 119 N ILE A 9 -11.972 -1.136 -12.995 1.00 0.00 N ATOM 120 CA ILE A 9 -11.576 -1.288 -11.572 1.00 0.00 C ATOM 121 C ILE A 9 -10.900 -2.641 -11.370 1.00 0.00 C ATOM 122 O ILE A 9 -9.737 -2.720 -11.038 1.00 0.00 O ATOM 123 CB ILE A 9 -12.882 -1.229 -10.787 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.526 0.147 -10.967 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.597 -1.472 -9.305 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.041 0.024 -10.806 1.00 0.00 C ATOM 0 H ILE A 9 -12.950 -0.891 -13.148 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.874 -0.518 -11.251 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.562 -1.997 -11.156 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.127 0.846 -10.232 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.285 0.547 -11.952 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.530 -1.430 -8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.141 -2.454 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.916 -0.706 -8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.501 1.004 -10.934 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.432 -0.662 -11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.271 -0.358 -9.811 1.00 0.00 H new ATOM 138 N ALA A 10 -11.620 -3.710 -11.576 1.00 0.00 N ATOM 139 CA ALA A 10 -11.009 -5.059 -11.401 1.00 0.00 C ATOM 140 C ALA A 10 -9.620 -5.080 -12.043 1.00 0.00 C ATOM 141 O ALA A 10 -8.647 -5.493 -11.437 1.00 0.00 O ATOM 142 CB ALA A 10 -11.952 -6.021 -12.124 1.00 0.00 C ATOM 0 H ALA A 10 -12.601 -3.708 -11.857 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.886 -5.331 -10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.569 -7.038 -12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.943 -5.968 -11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.018 -5.744 -13.176 1.00 0.00 H new ATOM 148 N GLU A 11 -9.519 -4.627 -13.262 1.00 0.00 N ATOM 149 CA GLU A 11 -8.193 -4.610 -13.941 1.00 0.00 C ATOM 150 C GLU A 11 -7.218 -3.745 -13.140 1.00 0.00 C ATOM 151 O GLU A 11 -6.067 -4.089 -12.959 1.00 0.00 O ATOM 152 CB GLU A 11 -8.457 -3.993 -15.316 1.00 0.00 C ATOM 153 CG GLU A 11 -7.235 -4.200 -16.212 1.00 0.00 C ATOM 154 CD GLU A 11 -7.657 -4.920 -17.493 1.00 0.00 C ATOM 155 OE1 GLU A 11 -8.326 -4.302 -18.304 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.305 -6.079 -17.642 1.00 0.00 O ATOM 0 H GLU A 11 -10.296 -4.268 -13.817 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.752 -5.603 -14.025 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.335 -4.452 -15.770 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.670 -2.929 -15.214 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.782 -3.239 -16.455 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.480 -4.784 -15.686 1.00 0.00 H new ATOM 163 N PHE A 12 -7.678 -2.626 -12.649 1.00 0.00 N ATOM 164 CA PHE A 12 -6.787 -1.741 -11.850 1.00 0.00 C ATOM 165 C PHE A 12 -6.382 -2.452 -10.557 1.00 0.00 C ATOM 166 O PHE A 12 -5.227 -2.477 -10.187 1.00 0.00 O ATOM 167 CB PHE A 12 -7.630 -0.501 -11.551 1.00 0.00 C ATOM 168 CG PHE A 12 -7.782 0.317 -12.813 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.652 0.639 -13.573 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.049 0.752 -13.223 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.786 1.395 -14.743 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.182 1.508 -14.394 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.051 1.830 -15.154 1.00 0.00 C ATOM 0 H PHE A 12 -8.633 -2.288 -12.767 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.867 -1.483 -12.374 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.610 -0.795 -11.175 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.156 0.096 -10.772 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.675 0.304 -13.256 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.922 0.505 -12.637 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.913 1.643 -15.329 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.158 1.843 -14.711 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.155 2.414 -16.057 1.00 0.00 H new ATOM 183 N LYS A 13 -7.327 -3.043 -9.876 1.00 0.00 N ATOM 184 CA LYS A 13 -6.997 -3.765 -8.616 1.00 0.00 C ATOM 185 C LYS A 13 -5.734 -4.595 -8.827 1.00 0.00 C ATOM 186 O LYS A 13 -4.765 -4.467 -8.105 1.00 0.00 O ATOM 187 CB LYS A 13 -8.197 -4.675 -8.350 1.00 0.00 C ATOM 188 CG LYS A 13 -9.032 -4.107 -7.200 1.00 0.00 C ATOM 189 CD LYS A 13 -8.130 -3.844 -5.992 1.00 0.00 C ATOM 190 CE LYS A 13 -8.759 -4.463 -4.741 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.205 -5.844 -4.676 1.00 0.00 N ATOM 0 H LYS A 13 -8.313 -3.056 -10.139 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.813 -3.090 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.808 -4.759 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.855 -5.680 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.518 -3.182 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.823 -4.807 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.141 -4.270 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.995 -2.771 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.504 -3.893 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.847 -4.477 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.590 -6.334 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.469 -6.365 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.169 -5.799 -4.603 1.00 0.00 H new ATOM 205 N GLU A 14 -5.731 -5.438 -9.825 1.00 0.00 N ATOM 206 CA GLU A 14 -4.521 -6.263 -10.091 1.00 0.00 C ATOM 207 C GLU A 14 -3.309 -5.345 -10.264 1.00 0.00 C ATOM 208 O GLU A 14 -2.250 -5.584 -9.719 1.00 0.00 O ATOM 209 CB GLU A 14 -4.823 -7.009 -11.390 1.00 0.00 C ATOM 210 CG GLU A 14 -3.994 -8.294 -11.445 1.00 0.00 C ATOM 211 CD GLU A 14 -4.770 -9.370 -12.209 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.688 -9.379 -13.427 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.433 -10.165 -11.564 1.00 0.00 O ATOM 0 H GLU A 14 -6.511 -5.589 -10.464 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.295 -6.953 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.885 -7.246 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.591 -6.377 -12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.039 -8.103 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.771 -8.639 -10.435 1.00 0.00 H new ATOM 220 N ALA A 15 -3.464 -4.286 -11.014 1.00 0.00 N ATOM 221 CA ALA A 15 -2.327 -3.344 -11.216 1.00 0.00 C ATOM 222 C ALA A 15 -1.943 -2.704 -9.882 1.00 0.00 C ATOM 223 O ALA A 15 -0.791 -2.696 -9.496 1.00 0.00 O ATOM 224 CB ALA A 15 -2.850 -2.286 -12.186 1.00 0.00 C ATOM 0 H ALA A 15 -4.328 -4.034 -11.494 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.439 -3.842 -11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.066 -1.555 -12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.145 -2.763 -13.120 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.712 -1.784 -11.747 1.00 0.00 H new ATOM 230 N PHE A 16 -2.899 -2.168 -9.169 1.00 0.00 N ATOM 231 CA PHE A 16 -2.573 -1.536 -7.861 1.00 0.00 C ATOM 232 C PHE A 16 -1.641 -2.449 -7.066 1.00 0.00 C ATOM 233 O PHE A 16 -0.510 -2.104 -6.785 1.00 0.00 O ATOM 234 CB PHE A 16 -3.907 -1.383 -7.129 1.00 0.00 C ATOM 235 CG PHE A 16 -3.630 -0.979 -5.703 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.279 0.344 -5.408 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.708 -1.927 -4.676 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.008 0.718 -4.086 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.437 -1.552 -3.355 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.088 -0.229 -3.061 1.00 0.00 C ATOM 0 H PHE A 16 -3.883 -2.141 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.072 -0.576 -7.986 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.525 -0.632 -7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.463 -2.320 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.217 1.076 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.977 -2.948 -4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.737 1.738 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.497 -2.283 -2.563 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.880 0.060 -2.041 1.00 0.00 H new ATOM 250 N ALA A 17 -2.108 -3.613 -6.702 1.00 0.00 N ATOM 251 CA ALA A 17 -1.245 -4.550 -5.930 1.00 0.00 C ATOM 252 C ALA A 17 0.159 -4.565 -6.534 1.00 0.00 C ATOM 253 O ALA A 17 1.148 -4.473 -5.834 1.00 0.00 O ATOM 254 CB ALA A 17 -1.910 -5.919 -6.074 1.00 0.00 C ATOM 0 H ALA A 17 -3.047 -3.954 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.145 -4.263 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.330 -6.664 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.920 -5.877 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.955 -6.193 -7.128 1.00 0.00 H new ATOM 260 N LEU A 18 0.254 -4.667 -7.832 1.00 0.00 N ATOM 261 CA LEU A 18 1.595 -4.670 -8.478 1.00 0.00 C ATOM 262 C LEU A 18 2.400 -3.469 -7.979 1.00 0.00 C ATOM 263 O LEU A 18 3.588 -3.557 -7.742 1.00 0.00 O ATOM 264 CB LEU A 18 1.317 -4.550 -9.977 1.00 0.00 C ATOM 265 CG LEU A 18 2.150 -5.583 -10.735 1.00 0.00 C ATOM 266 CD1 LEU A 18 2.066 -5.305 -12.237 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.609 -5.494 -10.283 1.00 0.00 C ATOM 0 H LEU A 18 -0.537 -4.748 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 18 2.171 -5.567 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.257 -4.707 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.561 -3.546 -10.323 1.00 0.00 H new ATOM 0 HG LEU A 18 1.765 -6.581 -10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.660 -6.042 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.027 -5.368 -12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.451 -4.306 -12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.203 -6.231 -10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.994 -4.495 -10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.671 -5.692 -9.213 1.00 0.00 H new ATOM 279 N PHE A 19 1.753 -2.346 -7.808 1.00 0.00 N ATOM 280 CA PHE A 19 2.471 -1.140 -7.311 1.00 0.00 C ATOM 281 C PHE A 19 2.847 -1.336 -5.841 1.00 0.00 C ATOM 282 O PHE A 19 3.985 -1.162 -5.452 1.00 0.00 O ATOM 283 CB PHE A 19 1.470 0.009 -7.459 1.00 0.00 C ATOM 284 CG PHE A 19 1.299 0.353 -8.919 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.416 0.421 -9.759 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.021 0.608 -9.434 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.258 0.743 -11.111 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.137 0.931 -10.786 1.00 0.00 C ATOM 289 CZ PHE A 19 0.981 0.999 -11.625 1.00 0.00 C ATOM 0 H PHE A 19 0.758 -2.214 -7.992 1.00 0.00 H new ATOM 0 HA PHE A 19 3.392 -0.946 -7.860 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.510 -0.275 -7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.821 0.882 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.401 0.225 -9.363 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.842 0.555 -8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.121 0.794 -11.758 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.122 1.128 -11.182 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.859 1.249 -12.669 1.00 0.00 H new ATOM 299 N ASP A 20 1.899 -1.706 -5.023 1.00 0.00 N ATOM 300 CA ASP A 20 2.201 -1.923 -3.579 1.00 0.00 C ATOM 301 C ASP A 20 3.117 -3.142 -3.417 1.00 0.00 C ATOM 302 O ASP A 20 3.257 -3.947 -4.316 1.00 0.00 O ATOM 303 CB ASP A 20 0.840 -2.177 -2.922 1.00 0.00 C ATOM 304 CG ASP A 20 1.042 -2.848 -1.563 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.528 -3.966 -1.545 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.708 -2.232 -0.564 1.00 0.00 O ATOM 0 H ASP A 20 0.929 -1.867 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 20 2.715 -1.074 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.304 -1.236 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.228 -2.810 -3.564 1.00 0.00 H new ATOM 311 N LYS A 21 3.742 -3.283 -2.280 1.00 0.00 N ATOM 312 CA LYS A 21 4.646 -4.451 -2.068 1.00 0.00 C ATOM 313 C LYS A 21 4.345 -5.116 -0.723 1.00 0.00 C ATOM 314 O LYS A 21 5.043 -6.011 -0.291 1.00 0.00 O ATOM 315 CB LYS A 21 6.059 -3.866 -2.074 1.00 0.00 C ATOM 316 CG LYS A 21 6.482 -3.566 -3.513 1.00 0.00 C ATOM 317 CD LYS A 21 7.474 -4.631 -3.986 1.00 0.00 C ATOM 318 CE LYS A 21 6.894 -5.369 -5.194 1.00 0.00 C ATOM 319 NZ LYS A 21 7.401 -6.764 -5.072 1.00 0.00 N ATOM 0 H LYS A 21 3.667 -2.642 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 21 4.519 -5.215 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.089 -2.954 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.757 -4.568 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.608 -3.552 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.938 -2.578 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.423 -4.166 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.679 -5.336 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.804 -5.343 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.218 -4.912 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.045 -7.333 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.441 -6.758 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.071 -7.176 -4.176 1.00 0.00 H new ATOM 333 N ASP A 22 3.309 -4.683 -0.058 1.00 0.00 N ATOM 334 CA ASP A 22 2.961 -5.288 1.260 1.00 0.00 C ATOM 335 C ASP A 22 1.500 -5.749 1.260 1.00 0.00 C ATOM 336 O ASP A 22 1.034 -6.368 2.195 1.00 0.00 O ATOM 337 CB ASP A 22 3.168 -4.163 2.274 1.00 0.00 C ATOM 338 CG ASP A 22 4.555 -3.549 2.082 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.526 -4.276 2.209 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.622 -2.361 1.810 1.00 0.00 O ATOM 0 H ASP A 22 2.688 -3.936 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 22 3.570 -6.163 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.400 -3.400 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.068 -4.550 3.288 1.00 0.00 H new ATOM 345 N ASN A 23 0.776 -5.448 0.217 1.00 0.00 N ATOM 346 CA ASN A 23 -0.655 -5.865 0.153 1.00 0.00 C ATOM 347 C ASN A 23 -1.461 -5.145 1.234 1.00 0.00 C ATOM 348 O ASN A 23 -2.595 -5.483 1.504 1.00 0.00 O ATOM 349 CB ASN A 23 -0.655 -7.367 0.421 1.00 0.00 C ATOM 350 CG ASN A 23 0.522 -8.028 -0.302 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.502 -8.181 -1.508 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.554 -8.430 0.387 1.00 0.00 N ATOM 0 H ASN A 23 1.113 -4.931 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.104 -5.622 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.585 -7.554 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.593 -7.805 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.342 -8.872 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.573 -8.303 1.399 1.00 0.00 H new ATOM 359 N ASN A 24 -0.885 -4.151 1.853 1.00 0.00 N ATOM 360 CA ASN A 24 -1.625 -3.410 2.913 1.00 0.00 C ATOM 361 C ASN A 24 -2.726 -2.553 2.284 1.00 0.00 C ATOM 362 O ASN A 24 -3.451 -1.859 2.968 1.00 0.00 O ATOM 363 CB ASN A 24 -0.579 -2.520 3.586 1.00 0.00 C ATOM 364 CG ASN A 24 0.701 -3.320 3.832 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.762 -2.750 3.999 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.648 -4.624 3.862 1.00 0.00 N ATOM 0 H ASN A 24 0.063 -3.821 1.671 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.106 -4.082 3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.364 -1.656 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.967 -2.138 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.497 -5.165 4.026 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.242 -5.102 3.722 1.00 0.00 H new ATOM 373 N GLY A 25 -2.853 -2.588 0.984 1.00 0.00 N ATOM 374 CA GLY A 25 -3.903 -1.767 0.323 1.00 0.00 C ATOM 375 C GLY A 25 -3.399 -0.330 0.185 1.00 0.00 C ATOM 376 O GLY A 25 -4.157 0.584 -0.071 1.00 0.00 O ATOM 0 H GLY A 25 -2.277 -3.148 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.140 -2.178 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.822 -1.789 0.909 1.00 0.00 H new ATOM 380 N SER A 26 -2.121 -0.129 0.350 1.00 0.00 N ATOM 381 CA SER A 26 -1.557 1.246 0.227 1.00 0.00 C ATOM 382 C SER A 26 -0.188 1.191 -0.456 1.00 0.00 C ATOM 383 O SER A 26 0.597 0.293 -0.225 1.00 0.00 O ATOM 384 CB SER A 26 -1.425 1.751 1.665 1.00 0.00 C ATOM 385 OG SER A 26 -0.129 2.307 1.852 1.00 0.00 O ATOM 0 H SER A 26 -1.441 -0.858 0.565 1.00 0.00 H new ATOM 0 HA SER A 26 -2.186 1.902 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.188 2.502 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.586 0.932 2.366 1.00 0.00 H new ATOM 0 HG SER A 26 -0.208 3.179 2.292 1.00 0.00 H new ATOM 391 N ILE A 27 0.099 2.144 -1.298 1.00 0.00 N ATOM 392 CA ILE A 27 1.415 2.149 -2.002 1.00 0.00 C ATOM 393 C ILE A 27 2.346 3.190 -1.370 1.00 0.00 C ATOM 394 O ILE A 27 1.974 4.329 -1.163 1.00 0.00 O ATOM 395 CB ILE A 27 1.073 2.509 -3.456 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.818 1.225 -4.246 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.228 3.277 -4.110 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.437 1.396 -5.100 1.00 0.00 C ATOM 0 H ILE A 27 -0.520 2.921 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 27 1.937 1.194 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 27 0.184 3.139 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.675 0.999 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.695 0.384 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.965 3.522 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.415 4.196 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.126 2.659 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.621 0.482 -5.664 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.291 1.602 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.296 2.227 -5.791 1.00 0.00 H new ATOM 410 N SER A 28 3.556 2.807 -1.069 1.00 0.00 N ATOM 411 CA SER A 28 4.517 3.771 -0.459 1.00 0.00 C ATOM 412 C SER A 28 5.555 4.204 -1.497 1.00 0.00 C ATOM 413 O SER A 28 5.438 3.902 -2.669 1.00 0.00 O ATOM 414 CB SER A 28 5.183 2.999 0.678 1.00 0.00 C ATOM 415 OG SER A 28 5.494 3.897 1.736 1.00 0.00 O ATOM 0 H SER A 28 3.922 1.867 -1.219 1.00 0.00 H new ATOM 0 HA SER A 28 4.027 4.677 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.519 2.212 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.090 2.512 0.320 1.00 0.00 H new ATOM 0 HG SER A 28 5.920 3.405 2.468 1.00 0.00 H new ATOM 421 N SER A 29 6.570 4.908 -1.078 1.00 0.00 N ATOM 422 CA SER A 29 7.612 5.361 -2.043 1.00 0.00 C ATOM 423 C SER A 29 8.208 4.161 -2.786 1.00 0.00 C ATOM 424 O SER A 29 7.788 3.822 -3.875 1.00 0.00 O ATOM 425 CB SER A 29 8.678 6.040 -1.183 1.00 0.00 C ATOM 426 OG SER A 29 8.375 7.424 -1.065 1.00 0.00 O ATOM 0 H SER A 29 6.723 5.189 -0.110 1.00 0.00 H new ATOM 0 HA SER A 29 7.207 6.033 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.714 5.578 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.662 5.908 -1.632 1.00 0.00 H new ATOM 0 HG SER A 29 9.056 7.862 -0.513 1.00 0.00 H new ATOM 432 N SER A 30 9.183 3.517 -2.206 1.00 0.00 N ATOM 433 CA SER A 30 9.808 2.341 -2.879 1.00 0.00 C ATOM 434 C SER A 30 8.731 1.438 -3.488 1.00 0.00 C ATOM 435 O SER A 30 8.851 0.981 -4.607 1.00 0.00 O ATOM 436 CB SER A 30 10.560 1.606 -1.771 1.00 0.00 C ATOM 437 OG SER A 30 11.093 0.395 -2.290 1.00 0.00 O ATOM 0 H SER A 30 9.575 3.754 -1.295 1.00 0.00 H new ATOM 0 HA SER A 30 10.468 2.637 -3.695 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.362 2.233 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.889 1.394 -0.939 1.00 0.00 H new ATOM 0 HG SER A 30 11.578 -0.079 -1.582 1.00 0.00 H new ATOM 443 N GLU A 31 7.682 1.173 -2.758 1.00 0.00 N ATOM 444 CA GLU A 31 6.601 0.296 -3.295 1.00 0.00 C ATOM 445 C GLU A 31 6.304 0.650 -4.756 1.00 0.00 C ATOM 446 O GLU A 31 6.747 -0.021 -5.667 1.00 0.00 O ATOM 447 CB GLU A 31 5.385 0.578 -2.413 1.00 0.00 C ATOM 448 CG GLU A 31 5.141 -0.614 -1.487 1.00 0.00 C ATOM 449 CD GLU A 31 3.864 -0.382 -0.676 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.929 0.353 0.296 1.00 0.00 O ATOM 451 OE2 GLU A 31 2.844 -0.944 -1.040 1.00 0.00 O ATOM 0 H GLU A 31 7.526 1.525 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 31 6.879 -0.758 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.550 1.481 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.506 0.757 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.051 -1.529 -2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.990 -0.746 -0.817 1.00 0.00 H new ATOM 458 N LEU A 32 5.559 1.697 -4.987 1.00 0.00 N ATOM 459 CA LEU A 32 5.240 2.083 -6.392 1.00 0.00 C ATOM 460 C LEU A 32 6.496 1.984 -7.261 1.00 0.00 C ATOM 461 O LEU A 32 6.438 1.603 -8.414 1.00 0.00 O ATOM 462 CB LEU A 32 4.757 3.532 -6.309 1.00 0.00 C ATOM 463 CG LEU A 32 3.902 3.862 -7.536 1.00 0.00 C ATOM 464 CD1 LEU A 32 4.611 3.379 -8.802 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.547 3.163 -7.417 1.00 0.00 C ATOM 0 H LEU A 32 5.159 2.299 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 32 4.489 1.432 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.176 3.680 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.611 4.208 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 32 3.754 4.940 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.000 3.615 -9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.577 3.876 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.762 2.301 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.938 3.398 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.698 2.085 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.038 3.507 -6.517 1.00 0.00 H new ATOM 477 N ALA A 33 7.633 2.321 -6.716 1.00 0.00 N ATOM 478 CA ALA A 33 8.893 2.244 -7.511 1.00 0.00 C ATOM 479 C ALA A 33 9.154 0.799 -7.945 1.00 0.00 C ATOM 480 O ALA A 33 9.660 0.545 -9.019 1.00 0.00 O ATOM 481 CB ALA A 33 9.990 2.726 -6.563 1.00 0.00 C ATOM 0 H ALA A 33 7.745 2.646 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 33 8.847 2.846 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.952 2.699 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.776 3.747 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.026 2.076 -5.688 1.00 0.00 H new ATOM 487 N THR A 34 8.810 -0.149 -7.116 1.00 0.00 N ATOM 488 CA THR A 34 9.038 -1.577 -7.481 1.00 0.00 C ATOM 489 C THR A 34 7.889 -2.088 -8.355 1.00 0.00 C ATOM 490 O THR A 34 7.006 -2.782 -7.891 1.00 0.00 O ATOM 491 CB THR A 34 9.074 -2.326 -6.148 1.00 0.00 C ATOM 492 OG1 THR A 34 8.475 -1.524 -5.140 1.00 0.00 O ATOM 493 CG2 THR A 34 10.525 -2.627 -5.769 1.00 0.00 C ATOM 0 H THR A 34 8.382 0.003 -6.203 1.00 0.00 H new ATOM 0 HA THR A 34 9.957 -1.717 -8.051 1.00 0.00 H new ATOM 0 HB THR A 34 8.524 -3.262 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.540 -1.348 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.550 -3.161 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.983 -3.243 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.078 -1.692 -5.674 1.00 0.00 H new ATOM 501 N VAL A 35 7.894 -1.751 -9.615 1.00 0.00 N ATOM 502 CA VAL A 35 6.801 -2.219 -10.516 1.00 0.00 C ATOM 503 C VAL A 35 7.287 -2.247 -11.968 1.00 0.00 C ATOM 504 O VAL A 35 7.017 -3.173 -12.705 1.00 0.00 O ATOM 505 CB VAL A 35 5.681 -1.195 -10.345 1.00 0.00 C ATOM 506 CG1 VAL A 35 6.130 0.153 -10.911 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.435 -1.672 -11.096 1.00 0.00 C ATOM 0 H VAL A 35 8.606 -1.172 -10.060 1.00 0.00 H new ATOM 0 HA VAL A 35 6.470 -3.229 -10.273 1.00 0.00 H new ATOM 0 HB VAL A 35 5.449 -1.085 -9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.330 0.884 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.018 0.494 -10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.363 0.044 -11.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.635 -0.942 -10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.668 -1.782 -12.155 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.113 -2.633 -10.694 1.00 0.00 H new ATOM 639 N SER A 44 13.780 7.209 -9.839 1.00 0.00 N ATOM 640 CA SER A 44 14.263 7.576 -8.477 1.00 0.00 C ATOM 641 C SER A 44 13.141 8.249 -7.681 1.00 0.00 C ATOM 642 O SER A 44 12.144 8.665 -8.237 1.00 0.00 O ATOM 643 CB SER A 44 15.413 8.554 -8.713 1.00 0.00 C ATOM 644 OG SER A 44 15.983 8.306 -9.992 1.00 0.00 O ATOM 0 HA SER A 44 14.581 6.705 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.051 9.580 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.169 8.439 -7.936 1.00 0.00 H new ATOM 0 HG SER A 44 15.270 8.107 -10.635 1.00 0.00 H new ATOM 650 N GLU A 45 13.298 8.345 -6.385 1.00 0.00 N ATOM 651 CA GLU A 45 12.249 8.983 -5.532 1.00 0.00 C ATOM 652 C GLU A 45 11.576 10.142 -6.274 1.00 0.00 C ATOM 653 O GLU A 45 10.366 10.244 -6.313 1.00 0.00 O ATOM 654 CB GLU A 45 12.999 9.500 -4.304 1.00 0.00 C ATOM 655 CG GLU A 45 14.212 10.321 -4.750 1.00 0.00 C ATOM 656 CD GLU A 45 15.176 10.488 -3.573 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.719 10.419 -2.444 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.353 10.683 -3.822 1.00 0.00 O ATOM 0 H GLU A 45 14.115 8.006 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 45 11.458 8.281 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.337 10.113 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.322 8.664 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.716 9.824 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.890 11.298 -5.112 1.00 0.00 H new ATOM 665 N ALA A 46 12.345 11.013 -6.867 1.00 0.00 N ATOM 666 CA ALA A 46 11.735 12.154 -7.607 1.00 0.00 C ATOM 667 C ALA A 46 10.561 11.656 -8.455 1.00 0.00 C ATOM 668 O ALA A 46 9.454 12.144 -8.348 1.00 0.00 O ATOM 669 CB ALA A 46 12.853 12.695 -8.498 1.00 0.00 C ATOM 0 H ALA A 46 13.365 10.985 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 46 11.345 12.922 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.480 13.540 -9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.688 13.020 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.189 11.911 -9.176 1.00 0.00 H new ATOM 675 N GLU A 47 10.795 10.682 -9.291 1.00 0.00 N ATOM 676 CA GLU A 47 9.693 10.146 -10.141 1.00 0.00 C ATOM 677 C GLU A 47 8.801 9.219 -9.312 1.00 0.00 C ATOM 678 O GLU A 47 7.596 9.202 -9.460 1.00 0.00 O ATOM 679 CB GLU A 47 10.395 9.366 -11.253 1.00 0.00 C ATOM 680 CG GLU A 47 11.406 10.273 -11.955 1.00 0.00 C ATOM 681 CD GLU A 47 10.747 10.932 -13.167 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.991 11.870 -12.969 1.00 0.00 O ATOM 683 OE2 GLU A 47 11.008 10.490 -14.273 1.00 0.00 O ATOM 0 H GLU A 47 11.702 10.234 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 47 9.053 10.933 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.900 8.495 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.662 8.997 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.767 11.036 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.273 9.693 -12.270 1.00 0.00 H new ATOM 690 N VAL A 48 9.388 8.450 -8.436 1.00 0.00 N ATOM 691 CA VAL A 48 8.582 7.526 -7.589 1.00 0.00 C ATOM 692 C VAL A 48 7.636 8.338 -6.705 1.00 0.00 C ATOM 693 O VAL A 48 6.431 8.303 -6.860 1.00 0.00 O ATOM 694 CB VAL A 48 9.607 6.787 -6.725 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.930 5.627 -5.999 1.00 0.00 C ATOM 696 CG2 VAL A 48 10.728 6.244 -7.610 1.00 0.00 C ATOM 0 H VAL A 48 10.394 8.422 -8.270 1.00 0.00 H new ATOM 0 HA VAL A 48 7.975 6.839 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 48 10.023 7.480 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.664 5.104 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.133 6.012 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.510 4.936 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.457 5.718 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.310 5.555 -8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.218 7.070 -8.125 1.00 0.00 H new ATOM 706 N ASN A 49 8.184 9.073 -5.781 1.00 0.00 N ATOM 707 CA ASN A 49 7.343 9.904 -4.879 1.00 0.00 C ATOM 708 C ASN A 49 6.429 10.812 -5.710 1.00 0.00 C ATOM 709 O ASN A 49 5.292 11.056 -5.355 1.00 0.00 O ATOM 710 CB ASN A 49 8.360 10.716 -4.070 1.00 0.00 C ATOM 711 CG ASN A 49 7.741 12.041 -3.613 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.636 12.067 -3.109 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.413 13.149 -3.768 1.00 0.00 N ATOM 0 H ASN A 49 9.188 9.134 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 49 6.686 9.319 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.687 10.142 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.245 10.910 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.010 14.036 -3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.341 13.128 -4.191 1.00 0.00 H new ATOM 720 N ASP A 50 6.915 11.311 -6.815 1.00 0.00 N ATOM 721 CA ASP A 50 6.070 12.200 -7.664 1.00 0.00 C ATOM 722 C ASP A 50 4.796 11.462 -8.084 1.00 0.00 C ATOM 723 O ASP A 50 3.716 12.021 -8.089 1.00 0.00 O ATOM 724 CB ASP A 50 6.934 12.522 -8.884 1.00 0.00 C ATOM 725 CG ASP A 50 6.053 13.093 -9.998 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.117 13.807 -9.678 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.330 12.806 -11.151 1.00 0.00 O ATOM 0 H ASP A 50 7.858 11.142 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 50 5.758 13.104 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.709 13.240 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.440 11.622 -9.232 1.00 0.00 H new ATOM 732 N LEU A 51 4.913 10.211 -8.437 1.00 0.00 N ATOM 733 CA LEU A 51 3.708 9.438 -8.854 1.00 0.00 C ATOM 734 C LEU A 51 2.741 9.299 -7.676 1.00 0.00 C ATOM 735 O LEU A 51 1.581 9.646 -7.767 1.00 0.00 O ATOM 736 CB LEU A 51 4.241 8.069 -9.277 1.00 0.00 C ATOM 737 CG LEU A 51 3.743 7.741 -10.685 1.00 0.00 C ATOM 738 CD1 LEU A 51 2.220 7.597 -10.668 1.00 0.00 C ATOM 739 CD2 LEU A 51 4.137 8.869 -11.641 1.00 0.00 C ATOM 0 H LEU A 51 5.790 9.691 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 51 3.160 9.926 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.331 8.069 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.908 7.305 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 51 4.192 6.806 -11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.865 7.363 -11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.938 6.794 -9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.770 8.531 -10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.782 8.636 -12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.688 9.804 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.222 8.972 -11.654 1.00 0.00 H new ATOM 751 N MET A 52 3.211 8.794 -6.567 1.00 0.00 N ATOM 752 CA MET A 52 2.319 8.634 -5.383 1.00 0.00 C ATOM 753 C MET A 52 1.441 9.876 -5.211 1.00 0.00 C ATOM 754 O MET A 52 0.235 9.786 -5.102 1.00 0.00 O ATOM 755 CB MET A 52 3.264 8.478 -4.191 1.00 0.00 C ATOM 756 CG MET A 52 2.761 7.354 -3.283 1.00 0.00 C ATOM 757 SD MET A 52 4.142 6.700 -2.312 1.00 0.00 S ATOM 758 CE MET A 52 4.921 8.287 -1.928 1.00 0.00 C ATOM 0 H MET A 52 4.174 8.486 -6.430 1.00 0.00 H new ATOM 0 HA MET A 52 1.648 7.781 -5.485 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.272 8.254 -4.540 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.320 9.413 -3.633 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.981 7.729 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.315 6.560 -3.882 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.518 8.189 -1.021 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.564 8.586 -2.755 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.151 9.043 -1.776 1.00 0.00 H new ATOM 768 N ASN A 53 2.038 11.037 -5.187 1.00 0.00 N ATOM 769 CA ASN A 53 1.238 12.284 -5.023 1.00 0.00 C ATOM 770 C ASN A 53 0.094 12.316 -6.039 1.00 0.00 C ATOM 771 O ASN A 53 -1.063 12.430 -5.683 1.00 0.00 O ATOM 772 CB ASN A 53 2.222 13.425 -5.288 1.00 0.00 C ATOM 773 CG ASN A 53 1.931 14.583 -4.332 1.00 0.00 C ATOM 774 OD1 ASN A 53 1.538 15.652 -4.756 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.109 14.416 -3.050 1.00 0.00 N ATOM 0 H ASN A 53 3.045 11.176 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 53 0.786 12.357 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.245 13.076 -5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.135 13.762 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.918 15.182 -2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.439 13.519 -2.693 1.00 0.00 H new ATOM 782 N GLU A 54 0.406 12.214 -7.302 1.00 0.00 N ATOM 783 CA GLU A 54 -0.665 12.237 -8.340 1.00 0.00 C ATOM 784 C GLU A 54 -1.849 11.374 -7.895 1.00 0.00 C ATOM 785 O GLU A 54 -2.976 11.598 -8.289 1.00 0.00 O ATOM 786 CB GLU A 54 -0.015 11.651 -9.593 1.00 0.00 C ATOM 787 CG GLU A 54 0.700 12.762 -10.365 1.00 0.00 C ATOM 788 CD GLU A 54 0.919 12.320 -11.813 1.00 0.00 C ATOM 789 OE1 GLU A 54 1.264 11.167 -12.014 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.738 13.142 -12.696 1.00 0.00 O ATOM 0 H GLU A 54 1.356 12.116 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.051 13.241 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.695 10.871 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.772 11.184 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.108 13.677 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.657 12.988 -9.894 1.00 0.00 H new ATOM 797 N ILE A 55 -1.601 10.391 -7.074 1.00 0.00 N ATOM 798 CA ILE A 55 -2.711 9.514 -6.602 1.00 0.00 C ATOM 799 C ILE A 55 -2.920 9.691 -5.094 1.00 0.00 C ATOM 800 O ILE A 55 -3.879 9.205 -4.528 1.00 0.00 O ATOM 801 CB ILE A 55 -2.255 8.091 -6.916 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.945 7.975 -8.411 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.364 7.104 -6.548 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.591 7.285 -8.600 1.00 0.00 C ATOM 0 H ILE A 55 -0.678 10.157 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.659 9.753 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.360 7.861 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.728 7.406 -8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.928 8.965 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.037 6.089 -6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.586 7.186 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.260 7.332 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.370 7.202 -9.664 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.188 7.872 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.625 6.289 -8.158 1.00 0.00 H new ATOM 816 N ASP A 56 -2.027 10.385 -4.442 1.00 0.00 N ATOM 817 CA ASP A 56 -2.173 10.593 -2.972 1.00 0.00 C ATOM 818 C ASP A 56 -3.274 11.619 -2.690 1.00 0.00 C ATOM 819 O ASP A 56 -3.009 12.782 -2.461 1.00 0.00 O ATOM 820 CB ASP A 56 -0.815 11.123 -2.510 1.00 0.00 C ATOM 821 CG ASP A 56 -0.570 10.705 -1.060 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.537 10.401 -0.380 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.580 10.695 -0.653 1.00 0.00 O ATOM 0 H ASP A 56 -1.204 10.816 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.452 9.677 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.024 10.733 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.789 12.209 -2.596 1.00 0.00 H new ATOM 828 N VAL A 57 -4.508 11.197 -2.707 1.00 0.00 N ATOM 829 CA VAL A 57 -5.625 12.148 -2.440 1.00 0.00 C ATOM 830 C VAL A 57 -5.492 12.736 -1.033 1.00 0.00 C ATOM 831 O VAL A 57 -5.843 13.874 -0.790 1.00 0.00 O ATOM 832 CB VAL A 57 -6.897 11.308 -2.554 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.072 10.838 -4.000 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.788 10.090 -1.634 1.00 0.00 C ATOM 0 H VAL A 57 -4.792 10.235 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.629 12.987 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.756 11.911 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.979 10.239 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.149 11.704 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.212 10.236 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.695 9.491 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.928 9.488 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.664 10.422 -0.603 1.00 0.00 H new ATOM 844 N ASP A 58 -4.988 11.971 -0.105 1.00 0.00 N ATOM 845 CA ASP A 58 -4.832 12.488 1.285 1.00 0.00 C ATOM 846 C ASP A 58 -3.468 13.163 1.446 1.00 0.00 C ATOM 847 O ASP A 58 -3.329 14.144 2.150 1.00 0.00 O ATOM 848 CB ASP A 58 -4.928 11.252 2.180 1.00 0.00 C ATOM 849 CG ASP A 58 -6.123 10.399 1.747 1.00 0.00 C ATOM 850 OD1 ASP A 58 -7.217 10.668 2.213 1.00 0.00 O ATOM 851 OD2 ASP A 58 -5.921 9.493 0.956 1.00 0.00 O ATOM 0 H ASP A 58 -4.677 11.010 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.587 13.233 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.009 10.670 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.041 11.552 3.222 1.00 0.00 H new ATOM 856 N GLY A 59 -2.459 12.646 0.800 1.00 0.00 N ATOM 857 CA GLY A 59 -1.105 13.258 0.915 1.00 0.00 C ATOM 858 C GLY A 59 -0.353 12.624 2.087 1.00 0.00 C ATOM 859 O GLY A 59 0.149 13.307 2.956 1.00 0.00 O ATOM 0 H GLY A 59 -2.514 11.825 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.548 13.110 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.193 14.334 1.065 1.00 0.00 H new ATOM 863 N ASN A 60 -0.270 11.321 2.115 1.00 0.00 N ATOM 864 CA ASN A 60 0.452 10.646 3.232 1.00 0.00 C ATOM 865 C ASN A 60 1.645 9.852 2.692 1.00 0.00 C ATOM 866 O ASN A 60 1.964 8.784 3.176 1.00 0.00 O ATOM 867 CB ASN A 60 -0.578 9.706 3.865 1.00 0.00 C ATOM 868 CG ASN A 60 -1.342 8.966 2.765 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.004 9.064 1.603 1.00 0.00 O ATOM 870 ND2 ASN A 60 -2.367 8.225 3.086 1.00 0.00 N ATOM 0 H ASN A 60 -0.670 10.696 1.415 1.00 0.00 H new ATOM 0 HA ASN A 60 0.848 11.360 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.079 8.991 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.272 10.274 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.884 7.728 2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.651 8.143 4.062 1.00 0.00 H new ATOM 877 N HIS A 61 2.308 10.369 1.693 1.00 0.00 N ATOM 878 CA HIS A 61 3.485 9.648 1.123 1.00 0.00 C ATOM 879 C HIS A 61 3.056 8.296 0.547 1.00 0.00 C ATOM 880 O HIS A 61 3.865 7.412 0.346 1.00 0.00 O ATOM 881 CB HIS A 61 4.438 9.449 2.303 1.00 0.00 C ATOM 882 CG HIS A 61 4.560 10.734 3.074 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.153 11.952 2.552 1.00 0.00 N ATOM 884 CD2 HIS A 61 5.041 11.008 4.331 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.394 12.893 3.482 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.935 12.371 4.587 1.00 0.00 N ATOM 0 H HIS A 61 2.087 11.259 1.246 1.00 0.00 H new ATOM 0 HA HIS A 61 3.952 10.204 0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.067 8.657 2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.418 9.134 1.943 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.441 10.276 5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.177 13.943 3.352 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.211 12.866 5.435 1.00 0.00 H new ATOM 894 N GLN A 62 1.790 8.127 0.278 1.00 0.00 N ATOM 895 CA GLN A 62 1.315 6.830 -0.286 1.00 0.00 C ATOM 896 C GLN A 62 -0.140 6.949 -0.741 1.00 0.00 C ATOM 897 O GLN A 62 -0.837 7.880 -0.391 1.00 0.00 O ATOM 898 CB GLN A 62 1.435 5.821 0.859 1.00 0.00 C ATOM 899 CG GLN A 62 0.954 6.460 2.164 1.00 0.00 C ATOM 900 CD GLN A 62 0.061 5.473 2.918 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.553 4.612 2.320 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.037 5.561 4.217 1.00 0.00 N ATOM 0 H GLN A 62 1.065 8.829 0.424 1.00 0.00 H new ATOM 0 HA GLN A 62 1.898 6.527 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.842 4.933 0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.470 5.495 0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.808 6.738 2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.403 7.376 1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.478 6.284 4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.629 4.907 4.729 1.00 0.00 H new ATOM 911 N ILE A 63 -0.603 6.014 -1.523 1.00 0.00 N ATOM 912 CA ILE A 63 -2.008 6.075 -2.003 1.00 0.00 C ATOM 913 C ILE A 63 -2.673 4.700 -1.880 1.00 0.00 C ATOM 914 O ILE A 63 -2.019 3.677 -1.931 1.00 0.00 O ATOM 915 CB ILE A 63 -1.900 6.486 -3.469 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.386 5.308 -4.295 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.932 7.663 -3.601 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.561 4.402 -4.673 1.00 0.00 C ATOM 0 H ILE A 63 -0.067 5.210 -1.850 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.614 6.771 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.883 6.782 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.887 5.670 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.647 4.745 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.856 7.956 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.301 8.505 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.051 7.368 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.197 3.561 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.040 4.030 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.284 4.969 -5.259 1.00 0.00 H new ATOM 930 N GLU A 64 -3.967 4.670 -1.731 1.00 0.00 N ATOM 931 CA GLU A 64 -4.677 3.365 -1.618 1.00 0.00 C ATOM 932 C GLU A 64 -5.252 2.976 -2.981 1.00 0.00 C ATOM 933 O GLU A 64 -5.306 3.780 -3.890 1.00 0.00 O ATOM 934 CB GLU A 64 -5.799 3.607 -0.608 1.00 0.00 C ATOM 935 CG GLU A 64 -5.203 4.125 0.703 1.00 0.00 C ATOM 936 CD GLU A 64 -6.138 5.172 1.311 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.332 5.082 1.071 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.647 6.044 2.008 1.00 0.00 O ATOM 0 H GLU A 64 -4.566 5.494 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.020 2.556 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.512 4.329 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.348 2.682 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.061 3.300 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.221 4.561 0.521 1.00 0.00 H new ATOM 945 N PHE A 65 -5.679 1.755 -3.139 1.00 0.00 N ATOM 946 CA PHE A 65 -6.242 1.340 -4.455 1.00 0.00 C ATOM 947 C PHE A 65 -7.195 2.415 -4.983 1.00 0.00 C ATOM 948 O PHE A 65 -6.890 3.109 -5.932 1.00 0.00 O ATOM 949 CB PHE A 65 -7.002 0.043 -4.189 1.00 0.00 C ATOM 950 CG PHE A 65 -7.817 -0.288 -5.412 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.173 -0.653 -6.598 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.213 -0.212 -5.365 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.924 -0.941 -7.741 1.00 0.00 C ATOM 954 CE2 PHE A 65 -9.965 -0.503 -6.508 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.321 -0.867 -7.695 1.00 0.00 C ATOM 0 H PHE A 65 -5.663 1.031 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.462 1.202 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.306 -0.766 -3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.650 0.154 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.095 -0.712 -6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.709 0.071 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.427 -1.220 -8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.043 -0.447 -6.474 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.902 -1.091 -8.577 1.00 0.00 H new ATOM 965 N SER A 66 -8.348 2.546 -4.377 1.00 0.00 N ATOM 966 CA SER A 66 -9.338 3.572 -4.833 1.00 0.00 C ATOM 967 C SER A 66 -8.620 4.831 -5.331 1.00 0.00 C ATOM 968 O SER A 66 -8.936 5.361 -6.377 1.00 0.00 O ATOM 969 CB SER A 66 -10.175 3.889 -3.595 1.00 0.00 C ATOM 970 OG SER A 66 -11.318 4.641 -3.981 1.00 0.00 O ATOM 0 H SER A 66 -8.649 1.983 -3.581 1.00 0.00 H new ATOM 0 HA SER A 66 -9.948 3.212 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.482 2.966 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.581 4.452 -2.875 1.00 0.00 H new ATOM 0 HG SER A 66 -11.858 4.845 -3.189 1.00 0.00 H new ATOM 976 N GLU A 67 -7.648 5.305 -4.599 1.00 0.00 N ATOM 977 CA GLU A 67 -6.909 6.518 -5.049 1.00 0.00 C ATOM 978 C GLU A 67 -6.227 6.226 -6.386 1.00 0.00 C ATOM 979 O GLU A 67 -6.281 7.012 -7.310 1.00 0.00 O ATOM 980 CB GLU A 67 -5.874 6.786 -3.956 1.00 0.00 C ATOM 981 CG GLU A 67 -6.576 6.869 -2.600 1.00 0.00 C ATOM 982 CD GLU A 67 -5.644 7.525 -1.581 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.675 8.135 -2.000 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.915 7.407 -0.397 1.00 0.00 O ATOM 0 H GLU A 67 -7.335 4.907 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.560 7.380 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.128 5.991 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.345 7.717 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.497 7.446 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.856 5.871 -2.262 1.00 0.00 H new ATOM 991 N PHE A 68 -5.600 5.086 -6.501 1.00 0.00 N ATOM 992 CA PHE A 68 -4.931 4.727 -7.782 1.00 0.00 C ATOM 993 C PHE A 68 -5.962 4.771 -8.915 1.00 0.00 C ATOM 994 O PHE A 68 -5.638 5.038 -10.055 1.00 0.00 O ATOM 995 CB PHE A 68 -4.397 3.305 -7.556 1.00 0.00 C ATOM 996 CG PHE A 68 -4.327 2.548 -8.865 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.624 3.085 -9.950 1.00 0.00 C ATOM 998 CD2 PHE A 68 -4.964 1.308 -8.987 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.560 2.379 -11.159 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.899 0.603 -10.194 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.197 1.139 -11.281 1.00 0.00 C ATOM 0 H PHE A 68 -5.523 4.388 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.127 5.408 -8.060 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.407 3.350 -7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.044 2.775 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.132 4.042 -9.856 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.506 0.895 -8.149 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.019 2.792 -11.997 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.390 -0.354 -10.287 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.147 0.596 -12.213 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.204 4.520 -8.601 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.263 4.557 -9.649 1.00 0.00 C ATOM 1013 C LEU A 69 -8.591 6.010 -9.998 1.00 0.00 C ATOM 1014 O LEU A 69 -8.842 6.345 -11.139 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.475 3.875 -9.012 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.450 2.380 -9.334 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.740 2.173 -10.820 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.069 1.812 -9.001 1.00 0.00 C ATOM 0 H LEU A 69 -7.531 4.291 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.957 4.062 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.464 4.025 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.396 4.323 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.208 1.868 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.722 1.108 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.723 2.579 -11.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.982 2.685 -11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.049 0.746 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.312 2.325 -9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.861 1.960 -7.941 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.586 6.875 -9.021 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.892 8.308 -9.286 1.00 0.00 C ATOM 1032 C ALA A 70 -7.885 8.884 -10.285 1.00 0.00 C ATOM 1033 O ALA A 70 -8.244 9.585 -11.210 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.755 8.995 -7.927 1.00 0.00 C ATOM 0 H ALA A 70 -8.382 6.649 -8.047 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.883 8.450 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.965 10.059 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.462 8.555 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.740 8.862 -7.553 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.626 8.591 -10.106 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.596 9.118 -11.047 1.00 0.00 C ATOM 1042 C LEU A 71 -5.474 8.201 -12.265 1.00 0.00 C ATOM 1043 O LEU A 71 -5.442 8.651 -13.393 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.294 9.122 -10.245 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.253 9.983 -10.964 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.904 9.344 -12.310 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -3.826 11.382 -11.199 1.00 0.00 C ATOM 0 H LEU A 71 -6.266 8.010 -9.349 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.847 10.110 -11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.473 9.511 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.922 8.104 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.354 10.055 -10.352 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.163 9.957 -12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.498 8.346 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.802 9.273 -12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.086 11.997 -11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.724 11.309 -11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.077 11.838 -10.241 1.00 0.00 H new ATOM 1059 N MET A 72 -5.408 6.916 -12.048 1.00 0.00 N ATOM 1060 CA MET A 72 -5.289 5.970 -13.194 1.00 0.00 C ATOM 1061 C MET A 72 -6.423 6.210 -14.195 1.00 0.00 C ATOM 1062 O MET A 72 -6.210 6.708 -15.283 1.00 0.00 O ATOM 1063 CB MET A 72 -5.407 4.577 -12.575 1.00 0.00 C ATOM 1064 CG MET A 72 -5.286 3.518 -13.672 1.00 0.00 C ATOM 1065 SD MET A 72 -3.722 3.742 -14.556 1.00 0.00 S ATOM 1066 CE MET A 72 -3.229 2.001 -14.588 1.00 0.00 C ATOM 0 H MET A 72 -5.431 6.480 -11.126 1.00 0.00 H new ATOM 0 HA MET A 72 -4.352 6.095 -13.737 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.627 4.432 -11.828 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.363 4.476 -12.061 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.330 2.520 -13.236 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.123 3.600 -14.365 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.295 1.877 -14.040 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.006 1.394 -14.123 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.089 1.681 -15.621 1.00 0.00 H new