USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 45 MET CE :methyl 155:sc= -3.2! (180deg=-5.37!) USER MOD Set 1.2: A 80 MET CE :methyl -163:sc= -1.49 (180deg=-1.07) USER MOD Single : A 5 TYR OH : rot 180:sc=-0.00111 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -14:sc= -0.553 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -83:sc= 0.632 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0291) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0418 X(o=-0.042,f=-0.46) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.725 USER MOD Single : A 58 GLN : amide:sc= -0.784 X(o=-0.78,f=-0.43) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -81:sc= 0.885 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -27:sc= 0.416 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.786 -4.112 -17.851 1.00 0.00 N ATOM 47 CA ILE A 4 7.641 -4.896 -17.371 1.00 0.00 C ATOM 48 C ILE A 4 6.365 -4.048 -17.362 1.00 0.00 C ATOM 49 O ILE A 4 5.260 -4.576 -17.480 1.00 0.00 O ATOM 50 CB ILE A 4 7.887 -5.459 -15.956 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.775 -4.339 -14.897 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.268 -6.122 -15.890 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.012 -3.432 -14.916 1.00 0.00 C ATOM 0 HA ILE A 4 7.518 -5.731 -18.060 1.00 0.00 H new ATOM 0 HB ILE A 4 7.125 -6.208 -15.741 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.882 -3.744 -15.086 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.660 -4.781 -13.907 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.434 -6.517 -14.888 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.316 -6.936 -16.613 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.037 -5.385 -16.122 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.904 -2.654 -14.160 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.901 -4.025 -14.702 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.111 -2.972 -15.899 1.00 0.00 H new ATOM 65 N TYR A 5 6.534 -2.728 -17.225 1.00 0.00 N ATOM 66 CA TYR A 5 5.394 -1.808 -17.208 1.00 0.00 C ATOM 67 C TYR A 5 4.730 -1.768 -18.581 1.00 0.00 C ATOM 68 O TYR A 5 3.508 -1.672 -18.693 1.00 0.00 O ATOM 69 CB TYR A 5 5.850 -0.392 -16.842 1.00 0.00 C ATOM 70 CG TYR A 5 6.604 -0.427 -15.536 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.931 -0.732 -14.351 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.978 -0.162 -15.514 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.630 -0.769 -13.139 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.678 -0.200 -14.305 1.00 0.00 C ATOM 75 CZ TYR A 5 8.004 -0.504 -13.116 1.00 0.00 C ATOM 76 OH TYR A 5 8.695 -0.543 -11.923 1.00 0.00 O ATOM 0 H TYR A 5 7.443 -2.276 -17.125 1.00 0.00 H new ATOM 0 HA TYR A 5 4.684 -2.166 -16.462 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.486 0.012 -17.630 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.987 0.269 -16.758 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.871 -0.939 -14.370 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.497 0.072 -16.432 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.109 -1.002 -12.222 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.738 0.005 -14.288 1.00 0.00 H new ATOM 0 HH TYR A 5 9.639 -0.336 -12.085 1.00 0.00 H new ATOM 86 N LYS A 6 5.561 -1.851 -19.623 1.00 0.00 N ATOM 87 CA LYS A 6 5.062 -1.832 -21.002 1.00 0.00 C ATOM 88 C LYS A 6 4.405 -3.165 -21.332 1.00 0.00 C ATOM 89 O LYS A 6 3.348 -3.215 -21.964 1.00 0.00 O ATOM 90 CB LYS A 6 6.201 -1.574 -22.001 1.00 0.00 C ATOM 91 CG LYS A 6 7.096 -0.429 -21.507 1.00 0.00 C ATOM 92 CD LYS A 6 6.231 0.726 -20.991 1.00 0.00 C ATOM 93 CE LYS A 6 7.110 1.725 -20.234 1.00 0.00 C ATOM 94 NZ LYS A 6 6.418 3.045 -20.154 1.00 0.00 N ATOM 0 H LYS A 6 6.574 -1.931 -19.541 1.00 0.00 H new ATOM 0 HA LYS A 6 4.334 -1.025 -21.084 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.794 -2.479 -22.128 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.787 -1.325 -22.978 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.752 -0.786 -20.713 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.736 -0.081 -22.318 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.734 1.222 -21.824 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.449 0.344 -20.335 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.320 1.352 -19.231 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.069 1.836 -20.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.018 3.721 -19.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.239 3.402 -21.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.514 2.933 -19.653 1.00 0.00 H new ATOM 108 N ALA A 7 5.040 -4.245 -20.873 1.00 0.00 N ATOM 109 CA ALA A 7 4.512 -5.590 -21.097 1.00 0.00 C ATOM 110 C ALA A 7 3.214 -5.776 -20.308 1.00 0.00 C ATOM 111 O ALA A 7 2.283 -6.431 -20.773 1.00 0.00 O ATOM 112 CB ALA A 7 5.527 -6.648 -20.657 1.00 0.00 C ATOM 0 H ALA A 7 5.914 -4.215 -20.348 1.00 0.00 H new ATOM 0 HA ALA A 7 4.316 -5.709 -22.163 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.115 -7.642 -20.832 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.447 -6.530 -21.230 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.743 -6.526 -19.596 1.00 0.00 H new ATOM 118 N ALA A 8 3.164 -5.176 -19.112 1.00 0.00 N ATOM 119 CA ALA A 8 1.979 -5.263 -18.258 1.00 0.00 C ATOM 120 C ALA A 8 0.819 -4.464 -18.852 1.00 0.00 C ATOM 121 O ALA A 8 -0.339 -4.848 -18.710 1.00 0.00 O ATOM 122 CB ALA A 8 2.280 -4.720 -16.859 1.00 0.00 C ATOM 0 H ALA A 8 3.928 -4.628 -18.717 1.00 0.00 H new ATOM 0 HA ALA A 8 1.701 -6.315 -18.193 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.386 -4.794 -16.240 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.083 -5.303 -16.408 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.586 -3.676 -16.932 1.00 0.00 H new ATOM 128 N VAL A 9 1.145 -3.345 -19.512 1.00 0.00 N ATOM 129 CA VAL A 9 0.122 -2.487 -20.122 1.00 0.00 C ATOM 130 C VAL A 9 -0.747 -3.278 -21.110 1.00 0.00 C ATOM 131 O VAL A 9 -1.971 -3.153 -21.110 1.00 0.00 O ATOM 132 CB VAL A 9 0.794 -1.306 -20.847 1.00 0.00 C ATOM 133 CG1 VAL A 9 -0.117 -0.762 -21.952 1.00 0.00 C ATOM 134 CG2 VAL A 9 1.085 -0.191 -19.837 1.00 0.00 C ATOM 0 H VAL A 9 2.102 -3.015 -19.637 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.522 -2.109 -19.328 1.00 0.00 H new ATOM 0 HB VAL A 9 1.723 -1.655 -21.298 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.376 0.072 -22.452 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.321 -1.550 -22.676 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.055 -0.420 -21.515 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.561 0.647 -20.347 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.151 0.143 -19.384 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.750 -0.568 -19.060 1.00 0.00 H new ATOM 144 N GLU A 10 -0.103 -4.085 -21.953 1.00 0.00 N ATOM 145 CA GLU A 10 -0.834 -4.884 -22.942 1.00 0.00 C ATOM 146 C GLU A 10 -1.483 -6.128 -22.313 1.00 0.00 C ATOM 147 O GLU A 10 -2.205 -6.862 -22.993 1.00 0.00 O ATOM 148 CB GLU A 10 0.108 -5.332 -24.064 1.00 0.00 C ATOM 149 CG GLU A 10 0.362 -4.161 -25.018 1.00 0.00 C ATOM 150 CD GLU A 10 0.635 -4.693 -26.422 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.319 -4.869 -27.164 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.793 -4.917 -26.736 1.00 0.00 O ATOM 0 H GLU A 10 0.910 -4.204 -21.974 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.623 -4.248 -23.343 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.050 -5.683 -23.643 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.330 -6.169 -24.608 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.502 -3.496 -25.032 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.211 -3.573 -24.670 1.00 0.00 H new ATOM 159 N GLN A 11 -1.218 -6.373 -21.021 1.00 0.00 N ATOM 160 CA GLN A 11 -1.777 -7.544 -20.341 1.00 0.00 C ATOM 161 C GLN A 11 -2.866 -7.162 -19.334 1.00 0.00 C ATOM 162 O GLN A 11 -3.721 -7.987 -19.004 1.00 0.00 O ATOM 163 CB GLN A 11 -0.674 -8.297 -19.598 1.00 0.00 C ATOM 164 CG GLN A 11 0.461 -8.630 -20.566 1.00 0.00 C ATOM 165 CD GLN A 11 0.123 -9.900 -21.342 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.394 -11.007 -20.880 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.458 -9.805 -22.509 1.00 0.00 N ATOM 0 H GLN A 11 -0.628 -5.783 -20.435 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.222 -8.174 -21.111 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.297 -7.691 -18.774 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.074 -9.212 -19.163 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.617 -7.801 -21.257 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.392 -8.766 -20.016 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.683 -8.887 -22.893 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.686 -10.648 -23.035 1.00 0.00 H new ATOM 176 N LEU A 12 -2.829 -5.921 -18.838 1.00 0.00 N ATOM 177 CA LEU A 12 -3.824 -5.479 -17.857 1.00 0.00 C ATOM 178 C LEU A 12 -5.198 -5.315 -18.508 1.00 0.00 C ATOM 179 O LEU A 12 -5.324 -5.257 -19.733 1.00 0.00 O ATOM 180 CB LEU A 12 -3.409 -4.155 -17.192 1.00 0.00 C ATOM 181 CG LEU A 12 -2.874 -3.061 -18.126 1.00 0.00 C ATOM 182 CD1 LEU A 12 -3.940 -2.693 -19.157 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.513 -1.824 -17.303 1.00 0.00 C ATOM 0 H LEU A 12 -2.136 -5.218 -19.093 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.882 -6.251 -17.089 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.271 -3.756 -16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.644 -4.372 -16.447 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.988 -3.430 -18.642 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.555 -1.916 -19.817 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.197 -3.574 -19.745 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.830 -2.326 -18.645 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.133 -1.045 -17.964 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.401 -1.459 -16.786 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.748 -2.084 -16.571 1.00 0.00 H new ATOM 195 N THR A 13 -6.225 -5.245 -17.662 1.00 0.00 N ATOM 196 CA THR A 13 -7.600 -5.089 -18.140 1.00 0.00 C ATOM 197 C THR A 13 -8.193 -3.773 -17.643 1.00 0.00 C ATOM 198 O THR A 13 -7.646 -3.126 -16.749 1.00 0.00 O ATOM 199 CB THR A 13 -8.486 -6.244 -17.646 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.986 -6.747 -16.413 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.498 -7.363 -18.687 1.00 0.00 C ATOM 0 H THR A 13 -6.133 -5.293 -16.647 1.00 0.00 H new ATOM 0 HA THR A 13 -7.571 -5.094 -19.230 1.00 0.00 H new ATOM 0 HB THR A 13 -9.501 -5.875 -17.496 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.557 -7.481 -16.104 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.127 -8.181 -18.335 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.894 -6.980 -19.628 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.482 -7.727 -18.842 1.00 0.00 H new ATOM 209 N ASP A 14 -9.330 -3.393 -18.227 1.00 0.00 N ATOM 210 CA ASP A 14 -10.011 -2.161 -17.829 1.00 0.00 C ATOM 211 C ASP A 14 -10.530 -2.280 -16.393 1.00 0.00 C ATOM 212 O ASP A 14 -10.609 -1.289 -15.665 1.00 0.00 O ATOM 213 CB ASP A 14 -11.190 -1.877 -18.764 1.00 0.00 C ATOM 214 CG ASP A 14 -11.659 -0.436 -18.583 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.953 0.457 -19.022 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.718 -0.248 -18.007 1.00 0.00 O ATOM 0 H ASP A 14 -9.795 -3.915 -18.970 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.294 -1.342 -17.890 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.893 -2.045 -19.799 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.008 -2.565 -18.551 1.00 0.00 H new ATOM 221 N GLU A 15 -10.884 -3.511 -15.999 1.00 0.00 N ATOM 222 CA GLU A 15 -11.398 -3.771 -14.653 1.00 0.00 C ATOM 223 C GLU A 15 -10.323 -3.545 -13.588 1.00 0.00 C ATOM 224 O GLU A 15 -10.616 -3.035 -12.506 1.00 0.00 O ATOM 225 CB GLU A 15 -11.902 -5.211 -14.544 1.00 0.00 C ATOM 226 CG GLU A 15 -13.176 -5.379 -15.378 1.00 0.00 C ATOM 227 CD GLU A 15 -13.153 -6.734 -16.079 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.533 -6.825 -17.128 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.754 -7.659 -15.559 1.00 0.00 O ATOM 0 H GLU A 15 -10.823 -4.338 -16.593 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.218 -3.074 -14.481 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.134 -5.902 -14.892 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.104 -5.458 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.055 -5.304 -14.737 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.249 -4.578 -16.114 1.00 0.00 H new ATOM 236 N GLN A 16 -9.075 -3.933 -13.896 1.00 0.00 N ATOM 237 CA GLN A 16 -7.978 -3.761 -12.936 1.00 0.00 C ATOM 238 C GLN A 16 -7.781 -2.282 -12.586 1.00 0.00 C ATOM 239 O GLN A 16 -7.407 -1.948 -11.462 1.00 0.00 O ATOM 240 CB GLN A 16 -6.665 -4.369 -13.474 1.00 0.00 C ATOM 241 CG GLN A 16 -5.955 -3.404 -14.437 1.00 0.00 C ATOM 242 CD GLN A 16 -4.685 -2.862 -13.782 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.652 -3.532 -13.773 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.697 -1.680 -13.228 1.00 0.00 N ATOM 0 H GLN A 16 -8.806 -4.359 -14.783 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.251 -4.295 -12.026 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.004 -4.606 -12.641 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.880 -5.306 -13.988 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.706 -3.919 -15.365 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.620 -2.581 -14.698 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.551 -1.123 -13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.852 -1.314 -12.789 1.00 0.00 H new ATOM 253 N LYS A 17 -8.057 -1.400 -13.555 1.00 0.00 N ATOM 254 CA LYS A 17 -7.925 0.040 -13.328 1.00 0.00 C ATOM 255 C LYS A 17 -9.194 0.588 -12.673 1.00 0.00 C ATOM 256 O LYS A 17 -9.141 1.555 -11.914 1.00 0.00 O ATOM 257 CB LYS A 17 -7.671 0.781 -14.643 1.00 0.00 C ATOM 258 CG LYS A 17 -6.165 0.999 -14.820 1.00 0.00 C ATOM 259 CD LYS A 17 -5.612 -0.017 -15.826 1.00 0.00 C ATOM 260 CE LYS A 17 -5.561 0.613 -17.221 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.311 1.416 -17.363 1.00 0.00 N ATOM 0 H LYS A 17 -8.369 -1.656 -14.492 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.074 0.200 -12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.067 0.206 -15.480 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.191 1.739 -14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.973 2.013 -15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.657 0.891 -13.862 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.615 -0.336 -15.524 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.241 -0.907 -15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.594 -0.165 -17.984 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.433 1.248 -17.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.278 1.843 -18.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.298 2.167 -16.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.485 0.798 -17.233 1.00 0.00 H new ATOM 275 N ASN A 18 -10.334 -0.054 -12.962 1.00 0.00 N ATOM 276 CA ASN A 18 -11.611 0.362 -12.381 1.00 0.00 C ATOM 277 C ASN A 18 -11.599 0.126 -10.870 1.00 0.00 C ATOM 278 O ASN A 18 -12.044 0.973 -10.093 1.00 0.00 O ATOM 279 CB ASN A 18 -12.770 -0.425 -13.005 1.00 0.00 C ATOM 280 CG ASN A 18 -13.490 0.455 -14.023 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.584 0.952 -13.760 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.935 0.680 -15.184 1.00 0.00 N ATOM 0 H ASN A 18 -10.395 -0.856 -13.589 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.750 1.423 -12.586 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.393 -1.326 -13.489 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.465 -0.746 -12.229 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.409 1.267 -15.871 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.028 0.269 -15.404 1.00 0.00 H new ATOM 289 N GLU A 19 -11.060 -1.031 -10.463 1.00 0.00 N ATOM 290 CA GLU A 19 -10.965 -1.372 -9.041 1.00 0.00 C ATOM 291 C GLU A 19 -9.888 -0.522 -8.376 1.00 0.00 C ATOM 292 O GLU A 19 -10.057 -0.053 -7.252 1.00 0.00 O ATOM 293 CB GLU A 19 -10.603 -2.850 -8.852 1.00 0.00 C ATOM 294 CG GLU A 19 -11.644 -3.732 -9.546 1.00 0.00 C ATOM 295 CD GLU A 19 -11.778 -5.053 -8.794 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.595 -5.119 -7.891 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.060 -5.979 -9.134 1.00 0.00 O ATOM 0 H GLU A 19 -10.686 -1.740 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.937 -1.180 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.613 -3.047 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.560 -3.090 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.606 -3.221 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.348 -3.918 -10.578 1.00 0.00 H new ATOM 304 N PHE A 20 -8.777 -0.332 -9.093 1.00 0.00 N ATOM 305 CA PHE A 20 -7.659 0.465 -8.582 1.00 0.00 C ATOM 306 C PHE A 20 -8.075 1.923 -8.392 1.00 0.00 C ATOM 307 O PHE A 20 -7.769 2.536 -7.368 1.00 0.00 O ATOM 308 CB PHE A 20 -6.469 0.406 -9.551 1.00 0.00 C ATOM 309 CG PHE A 20 -5.611 -0.807 -9.260 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.137 -1.903 -8.558 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.283 -0.832 -9.697 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.335 -3.016 -8.295 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.480 -1.946 -9.433 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.006 -3.039 -8.732 1.00 0.00 C ATOM 0 H PHE A 20 -8.628 -0.718 -10.025 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.366 0.047 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.830 0.366 -10.579 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.871 1.313 -9.459 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.163 -1.886 -8.221 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.877 0.010 -10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.741 -3.858 -7.755 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.454 -1.964 -9.770 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.386 -3.899 -8.529 1.00 0.00 H new ATOM 324 N LYS A 21 -8.783 2.467 -9.388 1.00 0.00 N ATOM 325 CA LYS A 21 -9.245 3.852 -9.321 1.00 0.00 C ATOM 326 C LYS A 21 -10.241 4.019 -8.176 1.00 0.00 C ATOM 327 O LYS A 21 -10.075 4.891 -7.324 1.00 0.00 O ATOM 328 CB LYS A 21 -9.907 4.271 -10.642 1.00 0.00 C ATOM 329 CG LYS A 21 -10.242 5.767 -10.607 1.00 0.00 C ATOM 330 CD LYS A 21 -8.955 6.582 -10.444 1.00 0.00 C ATOM 331 CE LYS A 21 -9.249 8.064 -10.697 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.006 8.631 -9.544 1.00 0.00 N ATOM 0 H LYS A 21 -9.045 1.973 -10.241 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.379 4.490 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.239 4.059 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.815 3.690 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.753 6.056 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.924 5.977 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.552 6.447 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.197 6.227 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.316 8.611 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.826 8.179 -11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.204 9.637 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.903 8.117 -9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.440 8.536 -8.677 1.00 0.00 H new ATOM 346 N ALA A 22 -11.269 3.160 -8.156 1.00 0.00 N ATOM 347 CA ALA A 22 -12.286 3.210 -7.099 1.00 0.00 C ATOM 348 C ALA A 22 -11.641 3.023 -5.726 1.00 0.00 C ATOM 349 O ALA A 22 -11.917 3.773 -4.794 1.00 0.00 O ATOM 350 CB ALA A 22 -13.338 2.120 -7.307 1.00 0.00 C ATOM 0 H ALA A 22 -11.417 2.430 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.766 4.187 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.082 2.176 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.826 2.264 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.857 1.142 -7.286 1.00 0.00 H new ATOM 356 N ALA A 23 -10.764 2.020 -5.620 1.00 0.00 N ATOM 357 CA ALA A 23 -10.062 1.746 -4.362 1.00 0.00 C ATOM 358 C ALA A 23 -9.175 2.932 -3.960 1.00 0.00 C ATOM 359 O ALA A 23 -8.784 3.061 -2.799 1.00 0.00 O ATOM 360 CB ALA A 23 -9.186 0.498 -4.495 1.00 0.00 C ATOM 0 H ALA A 23 -10.524 1.388 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.818 1.584 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.673 0.311 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.810 -0.360 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.450 0.653 -5.284 1.00 0.00 H new ATOM 366 N PHE A 24 -8.862 3.796 -4.935 1.00 0.00 N ATOM 367 CA PHE A 24 -8.028 4.964 -4.680 1.00 0.00 C ATOM 368 C PHE A 24 -8.879 6.154 -4.231 1.00 0.00 C ATOM 369 O PHE A 24 -8.634 6.728 -3.171 1.00 0.00 O ATOM 370 CB PHE A 24 -7.254 5.354 -5.947 1.00 0.00 C ATOM 371 CG PHE A 24 -6.009 6.129 -5.577 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.812 5.449 -5.319 1.00 0.00 C ATOM 373 CD2 PHE A 24 -6.050 7.528 -5.495 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.658 6.165 -4.980 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.894 8.243 -5.156 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.700 7.562 -4.899 1.00 0.00 C ATOM 0 H PHE A 24 -9.175 3.704 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.327 4.705 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.982 4.459 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.887 5.957 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.779 4.371 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.972 8.054 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.735 5.640 -4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.925 9.321 -5.093 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.809 8.114 -4.638 1.00 0.00 H new ATOM 386 N ASP A 25 -9.870 6.533 -5.054 1.00 0.00 N ATOM 387 CA ASP A 25 -10.723 7.685 -4.730 1.00 0.00 C ATOM 388 C ASP A 25 -11.486 7.506 -3.414 1.00 0.00 C ATOM 389 O ASP A 25 -11.771 8.490 -2.730 1.00 0.00 O ATOM 390 CB ASP A 25 -11.718 7.992 -5.863 1.00 0.00 C ATOM 391 CG ASP A 25 -12.484 6.742 -6.303 1.00 0.00 C ATOM 392 OD1 ASP A 25 -13.202 6.181 -5.490 1.00 0.00 O ATOM 393 OD2 ASP A 25 -12.360 6.381 -7.462 1.00 0.00 O ATOM 0 H ASP A 25 -10.097 6.068 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.044 8.529 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.424 8.752 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.181 8.408 -6.715 1.00 0.00 H new ATOM 398 N ILE A 26 -11.811 6.258 -3.053 1.00 0.00 N ATOM 399 CA ILE A 26 -12.535 6.013 -1.797 1.00 0.00 C ATOM 400 C ILE A 26 -11.738 6.566 -0.611 1.00 0.00 C ATOM 401 O ILE A 26 -12.311 7.095 0.345 1.00 0.00 O ATOM 402 CB ILE A 26 -12.797 4.516 -1.583 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.478 3.738 -1.683 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.779 4.015 -2.649 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.726 2.258 -1.396 1.00 0.00 C ATOM 0 H ILE A 26 -11.592 5.422 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.495 6.524 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.226 4.360 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.049 3.858 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.754 4.139 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.967 2.952 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.717 4.564 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.352 4.172 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.786 1.711 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.135 2.146 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.434 1.860 -2.123 1.00 0.00 H new ATOM 417 N PHE A 27 -10.408 6.456 -0.700 1.00 0.00 N ATOM 418 CA PHE A 27 -9.525 6.963 0.349 1.00 0.00 C ATOM 419 C PHE A 27 -9.189 8.436 0.095 1.00 0.00 C ATOM 420 O PHE A 27 -8.976 9.204 1.034 1.00 0.00 O ATOM 421 CB PHE A 27 -8.223 6.156 0.396 1.00 0.00 C ATOM 422 CG PHE A 27 -8.456 4.860 1.137 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.531 4.854 2.536 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.602 3.664 0.425 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.751 3.653 3.220 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.821 2.463 1.109 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.897 2.457 2.506 1.00 0.00 C ATOM 0 H PHE A 27 -9.924 6.022 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.045 6.865 1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.874 5.950 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.443 6.734 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.419 5.776 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.546 3.668 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.808 3.648 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.931 1.540 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.068 1.530 3.034 1.00 0.00 H new ATOM 437 N ILE A 28 -9.143 8.818 -1.190 1.00 0.00 N ATOM 438 CA ILE A 28 -8.830 10.202 -1.567 1.00 0.00 C ATOM 439 C ILE A 28 -10.117 11.025 -1.737 1.00 0.00 C ATOM 440 O ILE A 28 -10.187 11.927 -2.575 1.00 0.00 O ATOM 441 CB ILE A 28 -8.030 10.237 -2.884 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.895 9.199 -2.862 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.418 11.624 -3.092 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.269 9.107 -1.466 1.00 0.00 C ATOM 0 H ILE A 28 -9.317 8.194 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.230 10.636 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.717 10.005 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.282 8.224 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.132 9.472 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.855 11.637 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.212 12.369 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.750 11.855 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.469 8.367 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.862 10.078 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.030 8.810 -0.745 1.00 0.00 H new ATOM 456 N GLN A 29 -11.134 10.718 -0.923 1.00 0.00 N ATOM 457 CA GLN A 29 -12.401 11.451 -0.994 1.00 0.00 C ATOM 458 C GLN A 29 -12.219 12.882 -0.473 1.00 0.00 C ATOM 459 O GLN A 29 -12.905 13.806 -0.913 1.00 0.00 O ATOM 460 CB GLN A 29 -13.498 10.745 -0.180 1.00 0.00 C ATOM 461 CG GLN A 29 -13.036 10.532 1.267 1.00 0.00 C ATOM 462 CD GLN A 29 -14.255 10.427 2.179 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.645 9.331 2.580 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.888 11.515 2.531 1.00 0.00 N ATOM 0 H GLN A 29 -11.106 9.980 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.708 11.481 -2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.410 11.341 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.738 9.785 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.435 9.625 1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.402 11.360 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.565 12.423 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.705 11.456 3.138 1.00 0.00 H new ATOM 473 N ASP A 30 -11.277 13.049 0.462 1.00 0.00 N ATOM 474 CA ASP A 30 -10.994 14.363 1.033 1.00 0.00 C ATOM 475 C ASP A 30 -9.565 14.405 1.590 1.00 0.00 C ATOM 476 O ASP A 30 -9.321 14.915 2.687 1.00 0.00 O ATOM 477 CB ASP A 30 -11.996 14.686 2.151 1.00 0.00 C ATOM 478 CG ASP A 30 -12.304 16.180 2.145 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.200 16.577 1.418 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.639 16.906 2.866 1.00 0.00 O ATOM 0 H ASP A 30 -10.703 12.293 0.835 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.090 15.109 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.913 14.115 2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.585 14.393 3.117 1.00 0.00 H new ATOM 485 N ALA A 31 -8.620 13.859 0.813 1.00 0.00 N ATOM 486 CA ALA A 31 -7.216 13.834 1.226 1.00 0.00 C ATOM 487 C ALA A 31 -6.614 15.238 1.174 1.00 0.00 C ATOM 488 O ALA A 31 -7.135 16.131 0.502 1.00 0.00 O ATOM 489 CB ALA A 31 -6.409 12.907 0.312 1.00 0.00 C ATOM 0 H ALA A 31 -8.802 13.433 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.173 13.463 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.367 12.898 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.814 11.897 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.471 13.265 -0.716 1.00 0.00 H new ATOM 495 N GLU A 32 -5.507 15.419 1.897 1.00 0.00 N ATOM 496 CA GLU A 32 -4.827 16.719 1.938 1.00 0.00 C ATOM 497 C GLU A 32 -4.149 17.016 0.602 1.00 0.00 C ATOM 498 O GLU A 32 -4.322 18.092 0.029 1.00 0.00 O ATOM 499 CB GLU A 32 -3.768 16.742 3.047 1.00 0.00 C ATOM 500 CG GLU A 32 -4.446 16.611 4.414 1.00 0.00 C ATOM 501 CD GLU A 32 -3.679 15.604 5.268 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.960 14.422 5.151 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.823 16.030 6.027 1.00 0.00 O ATOM 0 H GLU A 32 -5.064 14.691 2.458 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.582 17.479 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.059 15.927 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.199 17.671 3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.474 17.580 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.479 16.286 4.290 1.00 0.00 H new ATOM 510 N ASP A 33 -3.373 16.046 0.118 1.00 0.00 N ATOM 511 CA ASP A 33 -2.660 16.197 -1.154 1.00 0.00 C ATOM 512 C ASP A 33 -3.392 15.462 -2.281 1.00 0.00 C ATOM 513 O ASP A 33 -3.374 15.899 -3.433 1.00 0.00 O ATOM 514 CB ASP A 33 -1.238 15.636 -1.040 1.00 0.00 C ATOM 515 CG ASP A 33 -0.466 16.407 0.030 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.546 16.020 1.186 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.193 17.372 -0.322 1.00 0.00 O ATOM 0 H ASP A 33 -3.221 15.151 0.583 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.619 17.261 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.274 14.577 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.727 15.716 -2.000 1.00 0.00 H new ATOM 522 N GLY A 34 -4.032 14.341 -1.934 1.00 0.00 N ATOM 523 CA GLY A 34 -4.766 13.541 -2.918 1.00 0.00 C ATOM 524 C GLY A 34 -4.124 12.163 -3.094 1.00 0.00 C ATOM 525 O GLY A 34 -4.112 11.610 -4.197 1.00 0.00 O ATOM 0 H GLY A 34 -4.057 13.969 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.802 13.425 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.784 14.062 -3.875 1.00 0.00 H new ATOM 529 N CYS A 35 -3.590 11.619 -1.995 1.00 0.00 N ATOM 530 CA CYS A 35 -2.942 10.307 -2.024 1.00 0.00 C ATOM 531 C CYS A 35 -3.181 9.573 -0.704 1.00 0.00 C ATOM 532 O CYS A 35 -3.755 10.130 0.235 1.00 0.00 O ATOM 533 CB CYS A 35 -1.432 10.459 -2.234 1.00 0.00 C ATOM 534 SG CYS A 35 -1.109 11.542 -3.649 1.00 0.00 S ATOM 0 H CYS A 35 -3.594 12.066 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.369 9.737 -2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.972 10.872 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.980 9.482 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.205 11.706 -4.329 1.00 0.00 H new ATOM 540 N ILE A 36 -2.721 8.322 -0.637 1.00 0.00 N ATOM 541 CA ILE A 36 -2.879 7.529 0.582 1.00 0.00 C ATOM 542 C ILE A 36 -1.549 7.457 1.330 1.00 0.00 C ATOM 543 O ILE A 36 -0.541 7.996 0.877 1.00 0.00 O ATOM 544 CB ILE A 36 -3.369 6.108 0.257 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.376 5.406 -0.679 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.741 6.181 -0.421 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.642 4.299 0.084 1.00 0.00 C ATOM 0 H ILE A 36 -2.243 7.843 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.626 8.015 1.210 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.446 5.541 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.904 4.983 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.659 6.127 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.087 5.173 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.452 6.665 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.661 6.756 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.938 3.802 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.101 4.734 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.365 3.572 0.455 1.00 0.00 H new ATOM 559 N SER A 37 -1.554 6.788 2.481 1.00 0.00 N ATOM 560 CA SER A 37 -0.338 6.657 3.275 1.00 0.00 C ATOM 561 C SER A 37 0.415 5.390 2.881 1.00 0.00 C ATOM 562 O SER A 37 -0.176 4.315 2.755 1.00 0.00 O ATOM 563 CB SER A 37 -0.669 6.604 4.768 1.00 0.00 C ATOM 564 OG SER A 37 0.437 7.094 5.514 1.00 0.00 O ATOM 0 H SER A 37 -2.376 6.334 2.879 1.00 0.00 H new ATOM 0 HA SER A 37 0.288 7.528 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.556 7.202 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.897 5.580 5.065 1.00 0.00 H new ATOM 0 HG SER A 37 0.226 7.062 6.471 1.00 0.00 H new ATOM 570 N THR A 38 1.729 5.530 2.695 1.00 0.00 N ATOM 571 CA THR A 38 2.574 4.389 2.321 1.00 0.00 C ATOM 572 C THR A 38 2.453 3.273 3.362 1.00 0.00 C ATOM 573 O THR A 38 2.460 2.090 3.023 1.00 0.00 O ATOM 574 CB THR A 38 4.048 4.807 2.203 1.00 0.00 C ATOM 575 OG1 THR A 38 4.458 5.471 3.396 1.00 0.00 O ATOM 576 CG2 THR A 38 4.227 5.739 1.000 1.00 0.00 C ATOM 0 H THR A 38 2.230 6.413 2.796 1.00 0.00 H new ATOM 0 HA THR A 38 2.230 4.027 1.352 1.00 0.00 H new ATOM 0 HB THR A 38 4.663 3.918 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.188 6.412 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.274 6.033 0.920 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.925 5.221 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.610 6.627 1.133 1.00 0.00 H new ATOM 584 N LYS A 39 2.328 3.671 4.632 1.00 0.00 N ATOM 585 CA LYS A 39 2.192 2.706 5.725 1.00 0.00 C ATOM 586 C LYS A 39 0.773 2.126 5.773 1.00 0.00 C ATOM 587 O LYS A 39 0.560 1.038 6.312 1.00 0.00 O ATOM 588 CB LYS A 39 2.503 3.373 7.070 1.00 0.00 C ATOM 589 CG LYS A 39 3.941 3.906 7.067 1.00 0.00 C ATOM 590 CD LYS A 39 3.926 5.429 6.915 1.00 0.00 C ATOM 591 CE LYS A 39 5.331 5.984 7.162 1.00 0.00 C ATOM 592 NZ LYS A 39 5.238 7.411 7.581 1.00 0.00 N ATOM 0 H LYS A 39 2.318 4.648 4.926 1.00 0.00 H new ATOM 0 HA LYS A 39 2.902 1.899 5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.804 4.189 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.373 2.656 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.444 3.628 7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.505 3.455 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.587 5.701 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.221 5.868 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.833 5.400 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.931 5.899 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.193 7.787 7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.775 7.964 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.681 7.480 8.456 1.00 0.00 H new ATOM 606 N GLU A 40 -0.197 2.861 5.205 1.00 0.00 N ATOM 607 CA GLU A 40 -1.590 2.408 5.195 1.00 0.00 C ATOM 608 C GLU A 40 -1.933 1.649 3.904 1.00 0.00 C ATOM 609 O GLU A 40 -3.109 1.392 3.628 1.00 0.00 O ATOM 610 CB GLU A 40 -2.535 3.605 5.330 1.00 0.00 C ATOM 611 CG GLU A 40 -2.503 4.125 6.770 1.00 0.00 C ATOM 612 CD GLU A 40 -3.885 4.646 7.154 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.711 3.838 7.554 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.098 5.843 7.044 1.00 0.00 O ATOM 0 H GLU A 40 -0.041 3.762 4.752 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.715 1.731 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.238 4.395 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.550 3.312 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.202 3.328 7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.764 4.920 6.864 1.00 0.00 H new ATOM 621 N LEU A 41 -0.910 1.284 3.118 1.00 0.00 N ATOM 622 CA LEU A 41 -1.139 0.547 1.869 1.00 0.00 C ATOM 623 C LEU A 41 -1.810 -0.804 2.136 1.00 0.00 C ATOM 624 O LEU A 41 -2.497 -1.345 1.271 1.00 0.00 O ATOM 625 CB LEU A 41 0.176 0.312 1.126 1.00 0.00 C ATOM 626 CG LEU A 41 0.418 1.257 -0.048 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.760 0.928 -0.708 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.711 1.096 -1.071 1.00 0.00 C ATOM 0 H LEU A 41 0.069 1.484 3.321 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.800 1.157 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.000 0.412 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.193 -0.714 0.759 1.00 0.00 H new ATOM 0 HG LEU A 41 0.439 2.285 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.929 1.605 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.562 1.045 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.745 -0.100 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.540 1.770 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.732 0.067 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.665 1.336 -0.601 1.00 0.00 H new ATOM 640 N GLY A 42 -1.615 -1.338 3.344 1.00 0.00 N ATOM 641 CA GLY A 42 -2.225 -2.619 3.710 1.00 0.00 C ATOM 642 C GLY A 42 -3.756 -2.522 3.748 1.00 0.00 C ATOM 643 O GLY A 42 -4.448 -3.542 3.737 1.00 0.00 O ATOM 0 H GLY A 42 -1.048 -0.911 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.925 -3.384 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.855 -2.934 4.686 1.00 0.00 H new ATOM 647 N LYS A 43 -4.279 -1.286 3.791 1.00 0.00 N ATOM 648 CA LYS A 43 -5.723 -1.067 3.832 1.00 0.00 C ATOM 649 C LYS A 43 -6.334 -1.183 2.435 1.00 0.00 C ATOM 650 O LYS A 43 -7.387 -1.800 2.262 1.00 0.00 O ATOM 651 CB LYS A 43 -6.032 0.322 4.399 1.00 0.00 C ATOM 652 CG LYS A 43 -7.454 0.343 4.958 1.00 0.00 C ATOM 653 CD LYS A 43 -7.409 0.258 6.485 1.00 0.00 C ATOM 654 CE LYS A 43 -8.820 0.022 7.030 1.00 0.00 C ATOM 655 NZ LYS A 43 -9.647 1.250 6.837 1.00 0.00 N ATOM 0 H LYS A 43 -3.722 -0.431 3.798 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.158 -1.833 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.318 0.572 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.926 1.076 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.963 1.256 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.026 -0.492 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.749 -0.552 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.998 1.179 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.281 -0.823 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.773 -0.234 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.577 1.116 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.168 2.063 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.774 1.427 5.820 1.00 0.00 H new ATOM 669 N VAL A 44 -5.665 -0.587 1.440 1.00 0.00 N ATOM 670 CA VAL A 44 -6.163 -0.635 0.061 1.00 0.00 C ATOM 671 C VAL A 44 -6.102 -2.065 -0.483 1.00 0.00 C ATOM 672 O VAL A 44 -6.972 -2.481 -1.250 1.00 0.00 O ATOM 673 CB VAL A 44 -5.360 0.300 -0.856 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.657 1.754 -0.488 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.860 0.038 -0.698 1.00 0.00 C ATOM 0 H VAL A 44 -4.792 -0.074 1.561 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.200 -0.299 0.075 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.649 0.112 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.087 2.418 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.722 1.950 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.374 1.932 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.303 0.707 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.567 0.216 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.641 -0.996 -0.965 1.00 0.00 H new ATOM 685 N MET A 45 -5.076 -2.819 -0.065 1.00 0.00 N ATOM 686 CA MET A 45 -4.926 -4.210 -0.503 1.00 0.00 C ATOM 687 C MET A 45 -6.098 -5.051 0.001 1.00 0.00 C ATOM 688 O MET A 45 -6.577 -5.946 -0.694 1.00 0.00 O ATOM 689 CB MET A 45 -3.618 -4.825 0.017 1.00 0.00 C ATOM 690 CG MET A 45 -2.429 -3.911 -0.311 1.00 0.00 C ATOM 691 SD MET A 45 -1.665 -4.446 -1.861 1.00 0.00 S ATOM 692 CE MET A 45 -3.036 -3.983 -2.944 1.00 0.00 C ATOM 0 H MET A 45 -4.346 -2.492 0.569 1.00 0.00 H new ATOM 0 HA MET A 45 -4.906 -4.208 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.683 -4.975 1.095 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.466 -5.806 -0.433 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.764 -2.877 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.698 -3.943 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.659 -3.800 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.767 -4.791 -2.971 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.510 -3.078 -2.564 1.00 0.00 H new ATOM 702 N ARG A 46 -6.561 -4.736 1.214 1.00 0.00 N ATOM 703 CA ARG A 46 -7.693 -5.453 1.810 1.00 0.00 C ATOM 704 C ARG A 46 -8.975 -5.160 1.030 1.00 0.00 C ATOM 705 O ARG A 46 -9.821 -6.037 0.853 1.00 0.00 O ATOM 706 CB ARG A 46 -7.890 -5.032 3.270 1.00 0.00 C ATOM 707 CG ARG A 46 -6.901 -5.787 4.161 1.00 0.00 C ATOM 708 CD ARG A 46 -6.708 -5.023 5.473 1.00 0.00 C ATOM 709 NE ARG A 46 -6.621 -5.945 6.607 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.499 -5.503 7.867 1.00 0.00 C ATOM 711 NH1 ARG A 46 -6.448 -4.217 8.124 1.00 0.00 N ATOM 712 NH2 ARG A 46 -6.429 -6.363 8.850 1.00 0.00 N ATOM 0 H ARG A 46 -6.174 -3.996 1.799 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.475 -6.520 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.740 -3.957 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.912 -5.242 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.272 -6.791 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.945 -5.898 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.801 -4.421 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.539 -4.334 5.623 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.654 -6.950 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.501 -3.542 7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.355 -3.893 9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.467 -7.364 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.336 -6.033 9.811 1.00 0.00 H new ATOM 726 N MET A 47 -9.099 -3.913 0.559 1.00 0.00 N ATOM 727 CA MET A 47 -10.272 -3.501 -0.214 1.00 0.00 C ATOM 728 C MET A 47 -10.290 -4.200 -1.575 1.00 0.00 C ATOM 729 O MET A 47 -11.350 -4.592 -2.070 1.00 0.00 O ATOM 730 CB MET A 47 -10.266 -1.984 -0.435 1.00 0.00 C ATOM 731 CG MET A 47 -10.453 -1.263 0.905 1.00 0.00 C ATOM 732 SD MET A 47 -12.154 -1.487 1.483 1.00 0.00 S ATOM 733 CE MET A 47 -11.758 -2.328 3.035 1.00 0.00 C ATOM 0 H MET A 47 -8.406 -3.178 0.699 1.00 0.00 H new ATOM 0 HA MET A 47 -11.160 -3.782 0.352 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.326 -1.678 -0.895 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.064 -1.704 -1.123 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.753 -1.657 1.642 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.233 -0.201 0.792 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.680 -2.565 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.215 -3.249 2.822 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.140 -1.678 3.654 1.00 0.00 H new ATOM 743 N LEU A 48 -9.101 -4.357 -2.169 1.00 0.00 N ATOM 744 CA LEU A 48 -8.981 -5.017 -3.472 1.00 0.00 C ATOM 745 C LEU A 48 -9.242 -6.519 -3.338 1.00 0.00 C ATOM 746 O LEU A 48 -10.071 -7.083 -4.055 1.00 0.00 O ATOM 747 CB LEU A 48 -7.580 -4.802 -4.059 1.00 0.00 C ATOM 748 CG LEU A 48 -7.489 -3.772 -5.192 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.393 -4.197 -6.353 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.933 -2.401 -4.676 1.00 0.00 C ATOM 0 H LEU A 48 -8.217 -4.039 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.723 -4.578 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.912 -4.492 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.210 -5.758 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.458 -3.714 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.325 -3.462 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.074 -5.171 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.424 -4.261 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.868 -1.670 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.963 -2.461 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.285 -2.094 -3.855 1.00 0.00 H new ATOM 762 N GLY A 49 -8.525 -7.153 -2.408 1.00 0.00 N ATOM 763 CA GLY A 49 -8.675 -8.591 -2.175 1.00 0.00 C ATOM 764 C GLY A 49 -7.323 -9.234 -1.878 1.00 0.00 C ATOM 765 O GLY A 49 -6.879 -10.133 -2.594 1.00 0.00 O ATOM 0 H GLY A 49 -7.839 -6.697 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.355 -8.760 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.122 -9.061 -3.051 1.00 0.00 H new ATOM 769 N GLN A 50 -6.675 -8.755 -0.813 1.00 0.00 N ATOM 770 CA GLN A 50 -5.367 -9.278 -0.415 1.00 0.00 C ATOM 771 C GLN A 50 -5.173 -9.140 1.094 1.00 0.00 C ATOM 772 O GLN A 50 -5.643 -8.179 1.708 1.00 0.00 O ATOM 773 CB GLN A 50 -4.243 -8.520 -1.131 1.00 0.00 C ATOM 774 CG GLN A 50 -3.795 -9.311 -2.364 1.00 0.00 C ATOM 775 CD GLN A 50 -2.458 -8.769 -2.858 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.406 -9.339 -2.569 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.434 -7.690 -3.595 1.00 0.00 N ATOM 0 H GLN A 50 -7.033 -8.010 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.330 -10.331 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.590 -7.530 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.401 -8.373 -0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.702 -10.368 -2.117 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.545 -9.233 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.305 -7.217 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.544 -7.321 -3.930 1.00 0.00 H new ATOM 786 N ASN A 51 -4.476 -10.113 1.684 1.00 0.00 N ATOM 787 CA ASN A 51 -4.226 -10.095 3.126 1.00 0.00 C ATOM 788 C ASN A 51 -2.803 -10.577 3.439 1.00 0.00 C ATOM 789 O ASN A 51 -2.604 -11.701 3.909 1.00 0.00 O ATOM 790 CB ASN A 51 -5.245 -10.984 3.851 1.00 0.00 C ATOM 791 CG ASN A 51 -5.262 -10.644 5.341 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.324 -9.473 5.717 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.212 -11.609 6.220 1.00 0.00 N ATOM 0 H ASN A 51 -4.079 -10.914 1.193 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.331 -9.068 3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.237 -10.838 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.989 -12.034 3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.224 -11.392 7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.161 -12.579 5.910 1.00 0.00 H new ATOM 800 N PRO A 52 -1.800 -9.724 3.191 1.00 0.00 N ATOM 801 CA PRO A 52 -0.387 -10.060 3.457 1.00 0.00 C ATOM 802 C PRO A 52 0.003 -9.823 4.920 1.00 0.00 C ATOM 803 O PRO A 52 -0.856 -9.634 5.783 1.00 0.00 O ATOM 804 CB PRO A 52 0.351 -9.089 2.540 1.00 0.00 C ATOM 805 CG PRO A 52 -0.585 -7.913 2.289 1.00 0.00 C ATOM 806 CD PRO A 52 -2.007 -8.374 2.627 1.00 0.00 C ATOM 0 HA PRO A 52 -0.161 -11.111 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.279 -8.752 3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.621 -9.574 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.302 -7.060 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.524 -7.590 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.487 -7.707 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.643 -8.401 1.742 1.00 0.00 H new ATOM 814 N THR A 53 1.312 -9.823 5.180 1.00 0.00 N ATOM 815 CA THR A 53 1.821 -9.593 6.535 1.00 0.00 C ATOM 816 C THR A 53 2.385 -8.170 6.622 1.00 0.00 C ATOM 817 O THR A 53 2.455 -7.466 5.614 1.00 0.00 O ATOM 818 CB THR A 53 2.920 -10.618 6.892 1.00 0.00 C ATOM 819 OG1 THR A 53 4.182 -10.162 6.421 1.00 0.00 O ATOM 820 CG2 THR A 53 2.606 -11.973 6.255 1.00 0.00 C ATOM 0 H THR A 53 2.034 -9.978 4.477 1.00 0.00 H new ATOM 0 HA THR A 53 1.004 -9.713 7.246 1.00 0.00 H new ATOM 0 HB THR A 53 2.952 -10.727 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.874 -10.817 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.388 -12.687 6.514 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.647 -12.335 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.559 -11.864 5.172 1.00 0.00 H new ATOM 828 N PRO A 54 2.807 -7.730 7.814 1.00 0.00 N ATOM 829 CA PRO A 54 3.375 -6.377 7.981 1.00 0.00 C ATOM 830 C PRO A 54 4.789 -6.269 7.406 1.00 0.00 C ATOM 831 O PRO A 54 5.211 -5.200 6.966 1.00 0.00 O ATOM 832 CB PRO A 54 3.365 -6.197 9.493 1.00 0.00 C ATOM 833 CG PRO A 54 3.349 -7.590 10.105 1.00 0.00 C ATOM 834 CD PRO A 54 2.761 -8.536 9.054 1.00 0.00 C ATOM 0 HA PRO A 54 2.813 -5.610 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.243 -5.641 9.821 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.491 -5.627 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.356 -7.901 10.382 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.749 -7.604 11.015 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.347 -9.451 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.743 -8.833 9.304 1.00 0.00 H new ATOM 842 N GLU A 55 5.502 -7.400 7.398 1.00 0.00 N ATOM 843 CA GLU A 55 6.860 -7.445 6.855 1.00 0.00 C ATOM 844 C GLU A 55 6.812 -7.621 5.335 1.00 0.00 C ATOM 845 O GLU A 55 7.614 -7.038 4.603 1.00 0.00 O ATOM 846 CB GLU A 55 7.651 -8.612 7.461 1.00 0.00 C ATOM 847 CG GLU A 55 7.440 -8.657 8.978 1.00 0.00 C ATOM 848 CD GLU A 55 8.412 -9.654 9.602 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.056 -10.818 9.700 1.00 0.00 O ATOM 850 OE2 GLU A 55 9.499 -9.240 9.974 1.00 0.00 O ATOM 0 H GLU A 55 5.162 -8.291 7.760 1.00 0.00 H new ATOM 0 HA GLU A 55 7.353 -6.506 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.329 -9.552 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.712 -8.499 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.595 -7.667 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.413 -8.945 9.204 1.00 0.00 H new ATOM 857 N GLU A 56 5.855 -8.439 4.875 1.00 0.00 N ATOM 858 CA GLU A 56 5.691 -8.704 3.444 1.00 0.00 C ATOM 859 C GLU A 56 5.234 -7.444 2.707 1.00 0.00 C ATOM 860 O GLU A 56 5.844 -7.039 1.716 1.00 0.00 O ATOM 861 CB GLU A 56 4.658 -9.813 3.225 1.00 0.00 C ATOM 862 CG GLU A 56 4.946 -10.535 1.905 1.00 0.00 C ATOM 863 CD GLU A 56 3.751 -11.406 1.531 1.00 0.00 C ATOM 864 OE1 GLU A 56 2.831 -10.885 0.921 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.774 -12.582 1.859 1.00 0.00 O ATOM 0 H GLU A 56 5.187 -8.925 5.473 1.00 0.00 H new ATOM 0 HA GLU A 56 6.657 -9.019 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.690 -10.522 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.654 -9.389 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.141 -9.809 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.841 -11.149 2.002 1.00 0.00 H new ATOM 872 N LEU A 57 4.153 -6.830 3.205 1.00 0.00 N ATOM 873 CA LEU A 57 3.617 -5.614 2.589 1.00 0.00 C ATOM 874 C LEU A 57 4.644 -4.473 2.638 1.00 0.00 C ATOM 875 O LEU A 57 4.674 -3.621 1.749 1.00 0.00 O ATOM 876 CB LEU A 57 2.311 -5.190 3.291 1.00 0.00 C ATOM 877 CG LEU A 57 2.247 -3.744 3.801 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.792 -3.275 3.824 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.829 -3.669 5.216 1.00 0.00 C ATOM 0 H LEU A 57 3.638 -7.153 4.024 1.00 0.00 H new ATOM 0 HA LEU A 57 3.401 -5.830 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.485 -5.344 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.146 -5.858 4.136 1.00 0.00 H new ATOM 0 HG LEU A 57 2.827 -3.102 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.746 -2.248 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.378 -3.323 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.213 -3.919 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.782 -2.641 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.253 -4.312 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.867 -4.001 5.200 1.00 0.00 H new ATOM 891 N GLN A 58 5.482 -4.467 3.684 1.00 0.00 N ATOM 892 CA GLN A 58 6.506 -3.425 3.837 1.00 0.00 C ATOM 893 C GLN A 58 7.406 -3.355 2.601 1.00 0.00 C ATOM 894 O GLN A 58 7.722 -2.268 2.113 1.00 0.00 O ATOM 895 CB GLN A 58 7.374 -3.691 5.072 1.00 0.00 C ATOM 896 CG GLN A 58 8.063 -2.393 5.509 1.00 0.00 C ATOM 897 CD GLN A 58 7.019 -1.408 6.029 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.652 -1.444 7.203 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.512 -0.518 5.216 1.00 0.00 N ATOM 0 H GLN A 58 5.472 -5.164 4.429 1.00 0.00 H new ATOM 0 HA GLN A 58 5.987 -2.474 3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.759 -4.079 5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.121 -4.452 4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.798 -2.603 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.603 -1.956 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.814 -0.486 4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.814 0.144 5.556 1.00 0.00 H new ATOM 908 N GLU A 59 7.811 -4.527 2.101 1.00 0.00 N ATOM 909 CA GLU A 59 8.673 -4.592 0.917 1.00 0.00 C ATOM 910 C GLU A 59 7.968 -3.985 -0.298 1.00 0.00 C ATOM 911 O GLU A 59 8.592 -3.297 -1.107 1.00 0.00 O ATOM 912 CB GLU A 59 9.050 -6.043 0.599 1.00 0.00 C ATOM 913 CG GLU A 59 10.189 -6.492 1.520 1.00 0.00 C ATOM 914 CD GLU A 59 10.353 -8.006 1.426 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.658 -8.704 2.149 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.169 -8.447 0.631 1.00 0.00 O ATOM 0 H GLU A 59 7.559 -5.434 2.493 1.00 0.00 H new ATOM 0 HA GLU A 59 9.577 -4.023 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.184 -6.692 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.356 -6.130 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.117 -5.997 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.975 -6.202 2.549 1.00 0.00 H new ATOM 923 N MET A 60 6.661 -4.246 -0.413 1.00 0.00 N ATOM 924 CA MET A 60 5.870 -3.722 -1.531 1.00 0.00 C ATOM 925 C MET A 60 5.788 -2.195 -1.472 1.00 0.00 C ATOM 926 O MET A 60 5.956 -1.520 -2.488 1.00 0.00 O ATOM 927 CB MET A 60 4.448 -4.298 -1.503 1.00 0.00 C ATOM 928 CG MET A 60 4.503 -5.822 -1.649 1.00 0.00 C ATOM 929 SD MET A 60 4.953 -6.253 -3.349 1.00 0.00 S ATOM 930 CE MET A 60 5.981 -7.688 -2.952 1.00 0.00 C ATOM 0 H MET A 60 6.132 -4.813 0.250 1.00 0.00 H new ATOM 0 HA MET A 60 6.367 -4.021 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.956 -4.031 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.855 -3.867 -2.310 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.231 -6.238 -0.953 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.536 -6.257 -1.397 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.372 -8.121 -3.873 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.810 -7.377 -2.316 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.381 -8.432 -2.427 1.00 0.00 H new ATOM 940 N ILE A 61 5.526 -1.665 -0.271 1.00 0.00 N ATOM 941 CA ILE A 61 5.417 -0.217 -0.074 1.00 0.00 C ATOM 942 C ILE A 61 6.677 0.504 -0.567 1.00 0.00 C ATOM 943 O ILE A 61 6.639 1.224 -1.564 1.00 0.00 O ATOM 944 CB ILE A 61 5.197 0.084 1.411 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.811 -0.414 1.821 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.301 1.590 1.665 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.859 -0.928 3.257 1.00 0.00 C ATOM 0 H ILE A 61 5.386 -2.216 0.576 1.00 0.00 H new ATOM 0 HA ILE A 61 4.568 0.145 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 61 5.961 -0.423 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.083 0.393 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.485 -1.209 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.143 1.792 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.291 1.941 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.544 2.111 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.871 -1.283 3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.574 -1.747 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.166 -0.121 3.922 1.00 0.00 H new ATOM 959 N ASP A 62 7.785 0.308 0.152 1.00 0.00 N ATOM 960 CA ASP A 62 9.059 0.946 -0.209 1.00 0.00 C ATOM 961 C ASP A 62 9.410 0.710 -1.685 1.00 0.00 C ATOM 962 O ASP A 62 9.983 1.584 -2.338 1.00 0.00 O ATOM 963 CB ASP A 62 10.195 0.401 0.663 1.00 0.00 C ATOM 964 CG ASP A 62 11.333 1.418 0.718 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.294 2.273 1.588 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.224 1.326 -0.110 1.00 0.00 O ATOM 0 H ASP A 62 7.829 -0.283 0.982 1.00 0.00 H new ATOM 0 HA ASP A 62 8.942 2.017 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.828 0.196 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.557 -0.543 0.257 1.00 0.00 H new ATOM 971 N GLU A 63 9.068 -0.480 -2.199 1.00 0.00 N ATOM 972 CA GLU A 63 9.360 -0.819 -3.597 1.00 0.00 C ATOM 973 C GLU A 63 8.583 0.077 -4.564 1.00 0.00 C ATOM 974 O GLU A 63 9.157 0.635 -5.501 1.00 0.00 O ATOM 975 CB GLU A 63 9.002 -2.282 -3.886 1.00 0.00 C ATOM 976 CG GLU A 63 10.225 -3.170 -3.639 1.00 0.00 C ATOM 977 CD GLU A 63 11.117 -3.172 -4.878 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.856 -3.961 -5.773 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.048 -2.384 -4.915 1.00 0.00 O ATOM 0 H GLU A 63 8.595 -1.215 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 63 10.428 -0.663 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.176 -2.597 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.666 -2.388 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.784 -2.805 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.908 -4.186 -3.406 1.00 0.00 H new ATOM 986 N VAL A 64 7.271 0.201 -4.334 1.00 0.00 N ATOM 987 CA VAL A 64 6.422 1.028 -5.205 1.00 0.00 C ATOM 988 C VAL A 64 6.674 2.524 -4.986 1.00 0.00 C ATOM 989 O VAL A 64 6.356 3.338 -5.855 1.00 0.00 O ATOM 990 CB VAL A 64 4.932 0.731 -4.974 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.674 -0.769 -5.137 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.519 1.172 -3.565 1.00 0.00 C ATOM 0 H VAL A 64 6.778 -0.252 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 64 6.686 0.772 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 64 4.344 1.283 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.617 -0.976 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.952 -1.079 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.269 -1.322 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.461 0.957 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.110 0.631 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.691 2.242 -3.454 1.00 0.00 H new ATOM 1002 N ASP A 65 7.243 2.881 -3.824 1.00 0.00 N ATOM 1003 CA ASP A 65 7.523 4.284 -3.521 1.00 0.00 C ATOM 1004 C ASP A 65 8.619 4.807 -4.455 1.00 0.00 C ATOM 1005 O ASP A 65 9.812 4.743 -4.146 1.00 0.00 O ATOM 1006 CB ASP A 65 7.969 4.452 -2.060 1.00 0.00 C ATOM 1007 CG ASP A 65 7.337 5.708 -1.448 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.099 6.662 -2.177 1.00 0.00 O ATOM 1009 OD2 ASP A 65 7.103 5.700 -0.252 1.00 0.00 O ATOM 0 H ASP A 65 7.513 2.225 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 65 6.607 4.856 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.681 3.574 -1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.056 4.523 -2.011 1.00 0.00 H new ATOM 1014 N GLU A 66 8.185 5.308 -5.611 1.00 0.00 N ATOM 1015 CA GLU A 66 9.109 5.832 -6.620 1.00 0.00 C ATOM 1016 C GLU A 66 9.726 7.158 -6.173 1.00 0.00 C ATOM 1017 O GLU A 66 10.899 7.425 -6.439 1.00 0.00 O ATOM 1018 CB GLU A 66 8.377 6.043 -7.950 1.00 0.00 C ATOM 1019 CG GLU A 66 7.987 4.682 -8.538 1.00 0.00 C ATOM 1020 CD GLU A 66 7.432 4.870 -9.947 1.00 0.00 C ATOM 1021 OE1 GLU A 66 8.223 4.876 -10.879 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.225 5.002 -10.076 1.00 0.00 O ATOM 0 H GLU A 66 7.201 5.363 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 66 9.906 5.100 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.487 6.653 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.016 6.583 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.856 4.024 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.242 4.201 -7.904 1.00 0.00 H new ATOM 1029 N ASP A 67 8.927 7.985 -5.493 1.00 0.00 N ATOM 1030 CA ASP A 67 9.417 9.284 -5.019 1.00 0.00 C ATOM 1031 C ASP A 67 10.005 9.169 -3.610 1.00 0.00 C ATOM 1032 O ASP A 67 11.011 9.807 -3.297 1.00 0.00 O ATOM 1033 CB ASP A 67 8.300 10.349 -5.020 1.00 0.00 C ATOM 1034 CG ASP A 67 6.961 9.748 -4.582 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.823 9.430 -3.412 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.089 9.622 -5.426 1.00 0.00 O ATOM 0 H ASP A 67 7.954 7.784 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 67 10.199 9.598 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.572 11.165 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.201 10.775 -6.018 1.00 0.00 H new ATOM 1041 N GLY A 68 9.360 8.363 -2.762 1.00 0.00 N ATOM 1042 CA GLY A 68 9.820 8.188 -1.384 1.00 0.00 C ATOM 1043 C GLY A 68 9.490 9.430 -0.562 1.00 0.00 C ATOM 1044 O GLY A 68 10.316 9.916 0.213 1.00 0.00 O ATOM 0 H GLY A 68 8.526 7.827 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.345 7.312 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.895 8.008 -1.371 1.00 0.00 H new ATOM 1048 N SER A 69 8.269 9.944 -0.754 1.00 0.00 N ATOM 1049 CA SER A 69 7.823 11.143 -0.043 1.00 0.00 C ATOM 1050 C SER A 69 7.130 10.777 1.269 1.00 0.00 C ATOM 1051 O SER A 69 7.444 11.330 2.326 1.00 0.00 O ATOM 1052 CB SER A 69 6.852 11.949 -0.913 1.00 0.00 C ATOM 1053 OG SER A 69 5.803 11.102 -1.375 1.00 0.00 O ATOM 0 H SER A 69 7.578 9.550 -1.392 1.00 0.00 H new ATOM 0 HA SER A 69 8.705 11.744 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.437 12.778 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.382 12.382 -1.761 1.00 0.00 H new ATOM 0 HG SER A 69 6.111 10.597 -2.156 1.00 0.00 H new ATOM 1059 N GLY A 70 6.178 9.846 1.185 1.00 0.00 N ATOM 1060 CA GLY A 70 5.426 9.413 2.364 1.00 0.00 C ATOM 1061 C GLY A 70 4.025 8.941 1.972 1.00 0.00 C ATOM 1062 O GLY A 70 3.443 8.080 2.633 1.00 0.00 O ATOM 0 H GLY A 70 5.911 9.380 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.960 8.605 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.352 10.235 3.076 1.00 0.00 H new ATOM 1066 N THR A 71 3.493 9.518 0.888 1.00 0.00 N ATOM 1067 CA THR A 71 2.161 9.153 0.405 1.00 0.00 C ATOM 1068 C THR A 71 2.269 8.365 -0.900 1.00 0.00 C ATOM 1069 O THR A 71 3.216 8.541 -1.670 1.00 0.00 O ATOM 1070 CB THR A 71 1.304 10.406 0.167 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.826 11.149 -0.931 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.303 11.276 1.426 1.00 0.00 C ATOM 0 H THR A 71 3.962 10.234 0.334 1.00 0.00 H new ATOM 0 HA THR A 71 1.685 8.536 1.167 1.00 0.00 H new ATOM 0 HB THR A 71 0.282 10.102 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.274 11.945 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.694 12.164 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.890 10.709 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.324 11.576 1.662 1.00 0.00 H new ATOM 1080 N VAL A 72 1.285 7.497 -1.139 1.00 0.00 N ATOM 1081 CA VAL A 72 1.274 6.685 -2.353 1.00 0.00 C ATOM 1082 C VAL A 72 0.322 7.286 -3.382 1.00 0.00 C ATOM 1083 O VAL A 72 -0.884 7.392 -3.146 1.00 0.00 O ATOM 1084 CB VAL A 72 0.832 5.250 -2.050 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.017 4.382 -3.297 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.676 4.687 -0.906 1.00 0.00 C ATOM 0 H VAL A 72 0.494 7.340 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 72 2.289 6.670 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.219 5.248 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.702 3.361 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.414 4.782 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.067 4.383 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.362 3.666 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.727 4.690 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.542 5.303 -0.017 1.00 0.00 H new ATOM 1096 N ASP A 73 0.881 7.663 -4.530 1.00 0.00 N ATOM 1097 CA ASP A 73 0.082 8.244 -5.606 1.00 0.00 C ATOM 1098 C ASP A 73 -0.532 7.126 -6.446 1.00 0.00 C ATOM 1099 O ASP A 73 -0.271 5.945 -6.211 1.00 0.00 O ATOM 1100 CB ASP A 73 0.954 9.127 -6.511 1.00 0.00 C ATOM 1101 CG ASP A 73 1.492 10.322 -5.723 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.380 10.123 -4.906 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.014 11.420 -5.954 1.00 0.00 O ATOM 0 H ASP A 73 1.876 7.578 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.704 8.856 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.783 8.543 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.370 9.477 -7.362 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.346 7.507 -7.430 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.985 6.518 -8.302 1.00 0.00 C ATOM 1110 C PHE A 74 -0.937 5.770 -9.129 1.00 0.00 C ATOM 1111 O PHE A 74 -1.092 4.582 -9.409 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.994 7.191 -9.241 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.954 6.160 -9.793 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.451 5.143 -8.967 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.348 6.223 -11.135 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.339 4.193 -9.481 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.237 5.272 -11.648 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.732 4.256 -10.822 1.00 0.00 C ATOM 0 H PHE A 74 -1.577 8.477 -7.643 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.513 5.806 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.545 7.962 -8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.469 7.686 -10.058 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.148 5.093 -7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.966 7.005 -11.774 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.722 3.410 -8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.542 5.322 -12.683 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.417 3.522 -11.220 1.00 0.00 H new ATOM 1128 N ASP A 75 0.143 6.471 -9.495 1.00 0.00 N ATOM 1129 CA ASP A 75 1.223 5.857 -10.269 1.00 0.00 C ATOM 1130 C ASP A 75 1.926 4.793 -9.427 1.00 0.00 C ATOM 1131 O ASP A 75 2.251 3.711 -9.917 1.00 0.00 O ATOM 1132 CB ASP A 75 2.245 6.914 -10.693 1.00 0.00 C ATOM 1133 CG ASP A 75 1.776 7.586 -11.979 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.000 8.525 -11.884 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.196 7.151 -13.039 1.00 0.00 O ATOM 0 H ASP A 75 0.290 7.455 -9.269 1.00 0.00 H new ATOM 0 HA ASP A 75 0.791 5.398 -11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.365 7.657 -9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.220 6.452 -10.846 1.00 0.00 H new ATOM 1140 N GLU A 76 2.136 5.116 -8.147 1.00 0.00 N ATOM 1141 CA GLU A 76 2.780 4.186 -7.212 1.00 0.00 C ATOM 1142 C GLU A 76 1.787 3.104 -6.772 1.00 0.00 C ATOM 1143 O GLU A 76 2.178 2.021 -6.336 1.00 0.00 O ATOM 1144 CB GLU A 76 3.282 4.927 -5.962 1.00 0.00 C ATOM 1145 CG GLU A 76 3.899 6.272 -6.357 1.00 0.00 C ATOM 1146 CD GLU A 76 4.520 6.930 -5.125 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.811 7.643 -4.437 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.698 6.716 -4.889 1.00 0.00 O ATOM 0 H GLU A 76 1.871 6.011 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 76 3.625 3.730 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.456 5.087 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.021 4.318 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.658 6.124 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.136 6.923 -6.784 1.00 0.00 H new ATOM 1155 N PHE A 77 0.495 3.423 -6.894 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.571 2.496 -6.516 1.00 0.00 C ATOM 1157 C PHE A 77 -0.761 1.415 -7.592 1.00 0.00 C ATOM 1158 O PHE A 77 -1.055 0.261 -7.278 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.880 3.279 -6.329 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.990 2.356 -5.885 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.104 1.988 -4.538 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.908 1.873 -6.824 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.136 1.135 -4.132 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.941 1.020 -6.417 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.055 0.651 -5.071 1.00 0.00 C ATOM 0 H PHE A 77 0.164 4.319 -7.253 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.296 2.005 -5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.737 4.067 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.156 3.766 -7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.396 2.362 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.820 2.158 -7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.224 0.850 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.650 0.647 -7.141 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.852 -0.007 -4.757 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.599 1.807 -8.861 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.763 0.872 -9.980 1.00 0.00 C ATOM 1177 C LEU A 78 0.467 -0.023 -10.157 1.00 0.00 C ATOM 1178 O LEU A 78 0.337 -1.214 -10.450 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.996 1.645 -11.278 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.290 2.463 -11.330 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.039 3.751 -12.113 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.387 1.648 -12.020 1.00 0.00 C ATOM 0 H LEU A 78 -0.356 2.758 -9.138 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.623 0.242 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.154 2.318 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.999 0.938 -12.107 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.609 2.707 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.957 4.337 -12.153 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.259 4.331 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.721 3.505 -13.126 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.306 2.232 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.074 1.402 -13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.563 0.729 -11.462 1.00 0.00 H new ATOM 1194 N VAL A 79 1.662 0.558 -9.977 1.00 0.00 N ATOM 1195 CA VAL A 79 2.910 -0.209 -10.123 1.00 0.00 C ATOM 1196 C VAL A 79 2.934 -1.399 -9.163 1.00 0.00 C ATOM 1197 O VAL A 79 3.539 -2.425 -9.460 1.00 0.00 O ATOM 1198 CB VAL A 79 4.147 0.664 -9.856 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.293 1.708 -10.967 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.015 1.371 -8.503 1.00 0.00 C ATOM 0 H VAL A 79 1.792 1.540 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 79 2.941 -0.564 -11.153 1.00 0.00 H new ATOM 0 HB VAL A 79 5.030 0.025 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.171 2.325 -10.774 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.407 1.204 -11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.405 2.339 -10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.897 1.986 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.127 2.003 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.926 0.627 -7.711 1.00 0.00 H new ATOM 1210 N MET A 80 2.263 -1.242 -8.015 1.00 0.00 N ATOM 1211 CA MET A 80 2.189 -2.298 -6.997 1.00 0.00 C ATOM 1212 C MET A 80 2.007 -3.685 -7.626 1.00 0.00 C ATOM 1213 O MET A 80 2.569 -4.672 -7.144 1.00 0.00 O ATOM 1214 CB MET A 80 1.013 -2.026 -6.055 1.00 0.00 C ATOM 1215 CG MET A 80 1.472 -1.129 -4.902 1.00 0.00 C ATOM 1216 SD MET A 80 0.054 -0.213 -4.246 1.00 0.00 S ATOM 1217 CE MET A 80 -0.755 -1.601 -3.416 1.00 0.00 C ATOM 0 H MET A 80 1.761 -0.389 -7.767 1.00 0.00 H new ATOM 0 HA MET A 80 3.130 -2.289 -6.448 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.201 -1.546 -6.601 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.623 -2.966 -5.664 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.924 -1.733 -4.115 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.237 -0.435 -5.250 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.791 -1.341 -3.199 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.728 -2.478 -4.063 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.234 -1.822 -2.485 1.00 0.00 H new ATOM 1227 N MET A 81 1.219 -3.748 -8.706 1.00 0.00 N ATOM 1228 CA MET A 81 0.969 -5.018 -9.395 1.00 0.00 C ATOM 1229 C MET A 81 2.260 -5.578 -10.007 1.00 0.00 C ATOM 1230 O MET A 81 2.726 -6.652 -9.621 1.00 0.00 O ATOM 1231 CB MET A 81 -0.068 -4.827 -10.508 1.00 0.00 C ATOM 1232 CG MET A 81 -1.475 -4.934 -9.920 1.00 0.00 C ATOM 1233 SD MET A 81 -2.627 -5.476 -11.207 1.00 0.00 S ATOM 1234 CE MET A 81 -2.802 -7.188 -10.650 1.00 0.00 C ATOM 0 H MET A 81 0.748 -2.943 -9.118 1.00 0.00 H new ATOM 0 HA MET A 81 0.590 -5.724 -8.656 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.066 -3.854 -10.981 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.072 -5.581 -11.283 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.481 -5.641 -9.090 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.788 -3.970 -9.520 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.484 -7.719 -11.314 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.828 -7.677 -10.664 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.200 -7.202 -9.635 1.00 0.00 H new ATOM 1244 N VAL A 82 2.821 -4.841 -10.971 1.00 0.00 N ATOM 1245 CA VAL A 82 4.055 -5.267 -11.652 1.00 0.00 C ATOM 1246 C VAL A 82 5.257 -5.307 -10.699 1.00 0.00 C ATOM 1247 O VAL A 82 6.194 -6.074 -10.915 1.00 0.00 O ATOM 1248 CB VAL A 82 4.385 -4.335 -12.825 1.00 0.00 C ATOM 1249 CG1 VAL A 82 3.308 -4.462 -13.902 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.447 -2.886 -12.334 1.00 0.00 C ATOM 0 H VAL A 82 2.445 -3.951 -11.298 1.00 0.00 H new ATOM 0 HA VAL A 82 3.869 -6.276 -12.021 1.00 0.00 H new ATOM 0 HB VAL A 82 5.351 -4.616 -13.243 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.545 -3.799 -14.734 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.269 -5.491 -14.258 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.340 -4.187 -13.483 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.682 -2.228 -13.171 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.483 -2.604 -11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.220 -2.793 -11.571 1.00 0.00 H new ATOM 1260 N ARG A 83 5.222 -4.477 -9.645 1.00 0.00 N ATOM 1261 CA ARG A 83 6.317 -4.434 -8.665 1.00 0.00 C ATOM 1262 C ARG A 83 6.543 -5.809 -8.021 1.00 0.00 C ATOM 1263 O ARG A 83 7.613 -6.075 -7.469 1.00 0.00 O ATOM 1264 CB ARG A 83 6.007 -3.417 -7.562 1.00 0.00 C ATOM 1265 CG ARG A 83 6.054 -2.002 -8.143 1.00 0.00 C ATOM 1266 CD ARG A 83 7.440 -1.399 -7.916 1.00 0.00 C ATOM 1267 NE ARG A 83 8.344 -1.738 -9.019 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.664 -1.522 -8.940 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.194 -0.987 -7.865 1.00 0.00 N ATOM 1270 NH2 ARG A 83 10.433 -1.848 -9.948 1.00 0.00 N ATOM 0 H ARG A 83 4.455 -3.833 -9.451 1.00 0.00 H new ATOM 0 HA ARG A 83 7.220 -4.139 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.023 -3.614 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.729 -3.513 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.828 -2.028 -9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.294 -1.379 -7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.360 -0.316 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.852 -1.767 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 83 7.958 -2.149 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.599 -0.730 -7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.200 -0.828 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.026 -2.263 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.439 -1.687 -9.895 1.00 0.00 H new ATOM 1284 N CYS A 84 5.529 -6.681 -8.107 1.00 0.00 N ATOM 1285 CA CYS A 84 5.626 -8.032 -7.542 1.00 0.00 C ATOM 1286 C CYS A 84 6.568 -8.915 -8.372 1.00 0.00 C ATOM 1287 O CYS A 84 6.965 -9.994 -7.926 1.00 0.00 O ATOM 1288 CB CYS A 84 4.246 -8.692 -7.497 1.00 0.00 C ATOM 1289 SG CYS A 84 3.227 -7.878 -6.243 1.00 0.00 S ATOM 0 H CYS A 84 4.638 -6.476 -8.559 1.00 0.00 H new ATOM 0 HA CYS A 84 6.025 -7.935 -6.532 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.766 -8.621 -8.473 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.346 -9.753 -7.267 1.00 0.00 H new ATOM 0 HG CYS A 84 3.993 -7.376 -5.320 1.00 0.00 H new