USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 556 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 25 SER OG : rot 180:sc= 0.0406 USER MOD Set 1.2: A 26 HIS : no HD1:sc= -0.225 X(o=-0.18,f=-0.53) USER MOD Set 2.1: A 12 THR OG1 : rot -40:sc= 0.977 USER MOD Set 2.2: A 16 SER OG : rot 158:sc= -0.0668 USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 8 ASN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -173:sc= -0.0631 (180deg=-0.151) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.91 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.198 K(o=0.2,f=-1.3) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.416 K(o=-0.42,f=-3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.136 F(o=-2.4!,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 88:sc= 0.0682 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0507 F(o=-0.63,f=-0.051) USER MOD Single : A 53 MET CE :methyl -173:sc= -2.06 (180deg=-2.36) USER MOD Single : A 58 MET CE :methyl 176:sc= 0 (180deg=-0.00844) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 80:sc= -0.0332 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -120:sc= 0 (180deg=-0.175) USER MOD Single : A 75 SER OG : rot -55:sc= 0.00254 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= 1.95 (180deg=1.24) USER MOD ----------------------------------------------------------------- ATOM 44 N GLN A 1 7.348 -6.520 -11.505 1.00 10.00 N ATOM 45 CA GLN A 1 8.472 -7.451 -11.372 1.00 10.00 C ATOM 46 C GLN A 1 9.086 -7.469 -9.970 1.00 10.00 C ATOM 47 O GLN A 1 9.830 -8.390 -9.637 1.00 10.00 O ATOM 48 CB GLN A 1 9.551 -7.121 -12.420 1.00 10.00 C ATOM 49 CG GLN A 1 9.968 -8.341 -13.257 1.00 10.00 C ATOM 50 CD GLN A 1 9.209 -8.432 -14.575 1.00 10.00 C ATOM 51 OE1 GLN A 1 9.446 -7.647 -15.480 1.00 10.00 O ATOM 52 NE2 GLN A 1 8.334 -9.414 -14.737 1.00 10.00 N ATOM 0 H1 GLN A 1 6.905 -6.642 -12.438 1.00 10.00 H new ATOM 0 H2 GLN A 1 6.648 -6.713 -10.761 1.00 10.00 H new ATOM 0 H3 GLN A 1 7.693 -5.543 -11.411 1.00 10.00 H new ATOM 0 HA GLN A 1 8.073 -8.450 -11.545 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.178 -6.342 -13.085 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.428 -6.716 -11.915 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.038 -8.289 -13.460 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.797 -9.249 -12.679 1.00 10.00 H new ATOM 0 HE21 GLN A 1 8.147 -10.062 -13.972 1.00 10.00 H new ATOM 0 HE22 GLN A 1 7.848 -9.522 -15.627 1.00 10.00 H new ATOM 61 N ASP A 2 8.844 -6.409 -9.205 1.00 10.00 N ATOM 62 CA ASP A 2 9.267 -6.235 -7.836 1.00 10.00 C ATOM 63 C ASP A 2 8.148 -5.433 -7.162 1.00 10.00 C ATOM 64 O ASP A 2 7.167 -5.054 -7.801 1.00 10.00 O ATOM 65 CB ASP A 2 10.616 -5.489 -7.838 1.00 10.00 C ATOM 66 CG ASP A 2 11.326 -5.503 -6.490 1.00 10.00 C ATOM 67 OD1 ASP A 2 10.926 -4.679 -5.638 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.224 -6.350 -6.314 1.00 10.00 O ATOM 0 H ASP A 2 8.317 -5.608 -9.552 1.00 10.00 H new ATOM 0 HA ASP A 2 9.423 -7.170 -7.298 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.268 -5.938 -8.587 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.449 -4.455 -8.140 1.00 10.00 H new ATOM 73 N ALA A 3 8.361 -5.077 -5.907 1.00 10.00 N ATOM 74 CA ALA A 3 7.573 -4.145 -5.141 1.00 10.00 C ATOM 75 C ALA A 3 8.119 -2.721 -5.193 1.00 10.00 C ATOM 76 O ALA A 3 7.338 -1.784 -5.358 1.00 10.00 O ATOM 77 CB ALA A 3 7.604 -4.624 -3.715 1.00 10.00 C ATOM 0 H ALA A 3 9.139 -5.458 -5.368 1.00 10.00 H new ATOM 0 HA ALA A 3 6.566 -4.110 -5.557 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.019 -3.948 -3.091 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.181 -5.627 -3.659 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.634 -4.644 -3.360 1.00 10.00 H new ATOM 83 N GLU A 4 9.438 -2.533 -5.051 1.00 10.00 N ATOM 84 CA GLU A 4 10.042 -1.201 -5.033 1.00 10.00 C ATOM 85 C GLU A 4 9.633 -0.416 -6.292 1.00 10.00 C ATOM 86 O GLU A 4 9.302 0.766 -6.233 1.00 10.00 O ATOM 87 CB GLU A 4 11.565 -1.291 -4.844 1.00 10.00 C ATOM 88 CG GLU A 4 12.153 0.117 -4.610 1.00 10.00 C ATOM 89 CD GLU A 4 13.676 0.146 -4.605 1.00 10.00 C ATOM 90 OE1 GLU A 4 14.246 -0.236 -5.649 1.00 10.00 O ATOM 91 OE2 GLU A 4 14.237 0.583 -3.576 1.00 10.00 O ATOM 0 H GLU A 4 10.108 -3.295 -4.946 1.00 10.00 H new ATOM 0 HA GLU A 4 9.664 -0.644 -4.175 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.797 -1.936 -3.997 1.00 10.00 H new ATOM 0 HB3 GLU A 4 12.023 -1.743 -5.724 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.787 0.789 -5.387 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.787 0.501 -3.658 1.00 10.00 H new ATOM 98 N ALA A 5 9.552 -1.114 -7.430 1.00 10.00 N ATOM 99 CA ALA A 5 9.075 -0.559 -8.694 1.00 10.00 C ATOM 100 C ALA A 5 7.540 -0.467 -8.772 1.00 10.00 C ATOM 101 O ALA A 5 7.011 0.417 -9.448 1.00 10.00 O ATOM 102 CB ALA A 5 9.646 -1.374 -9.858 1.00 10.00 C ATOM 0 H ALA A 5 9.821 -2.096 -7.496 1.00 10.00 H new ATOM 0 HA ALA A 5 9.433 0.468 -8.760 1.00 10.00 H new ATOM 0 HB1 ALA A 5 9.290 -0.960 -10.801 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.735 -1.333 -9.831 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.320 -2.410 -9.771 1.00 10.00 H new ATOM 108 N ILE A 6 6.815 -1.354 -8.079 1.00 10.00 N ATOM 109 CA ILE A 6 5.354 -1.361 -8.069 1.00 10.00 C ATOM 110 C ILE A 6 4.851 -0.134 -7.316 1.00 10.00 C ATOM 111 O ILE A 6 4.093 0.659 -7.869 1.00 10.00 O ATOM 112 CB ILE A 6 4.798 -2.695 -7.507 1.00 10.00 C ATOM 113 CG1 ILE A 6 3.892 -3.398 -8.523 1.00 10.00 C ATOM 114 CG2 ILE A 6 4.098 -2.644 -6.139 1.00 10.00 C ATOM 115 CD1 ILE A 6 2.594 -2.636 -8.783 1.00 10.00 C ATOM 0 H ILE A 6 7.231 -2.089 -7.508 1.00 10.00 H new ATOM 0 HA ILE A 6 4.979 -1.300 -9.091 1.00 10.00 H new ATOM 0 HB ILE A 6 5.707 -3.269 -7.328 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.432 -3.519 -9.462 1.00 10.00 H new ATOM 0 HG13 ILE A 6 3.655 -4.398 -8.161 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.759 -3.643 -5.867 1.00 10.00 H new ATOM 0 HG22 ILE A 6 4.797 -2.280 -5.386 1.00 10.00 H new ATOM 0 HG23 ILE A 6 3.241 -1.972 -6.193 1.00 10.00 H new ATOM 0 HD11 ILE A 6 1.992 -3.180 -9.510 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.037 -2.538 -7.851 1.00 10.00 H new ATOM 0 HD13 ILE A 6 2.826 -1.645 -9.173 1.00 10.00 H new ATOM 127 N TYR A 7 5.342 0.108 -6.097 1.00 10.00 N ATOM 128 CA TYR A 7 4.833 1.223 -5.309 1.00 10.00 C ATOM 129 C TYR A 7 5.227 2.568 -5.938 1.00 10.00 C ATOM 130 O TYR A 7 4.447 3.510 -5.893 1.00 10.00 O ATOM 131 CB TYR A 7 5.202 1.086 -3.823 1.00 10.00 C ATOM 132 CG TYR A 7 6.403 1.887 -3.383 1.00 10.00 C ATOM 133 CD1 TYR A 7 7.685 1.422 -3.696 1.00 10.00 C ATOM 134 CD2 TYR A 7 6.239 3.141 -2.765 1.00 10.00 C ATOM 135 CE1 TYR A 7 8.809 2.216 -3.418 1.00 10.00 C ATOM 136 CE2 TYR A 7 7.365 3.930 -2.477 1.00 10.00 C ATOM 137 CZ TYR A 7 8.649 3.466 -2.804 1.00 10.00 C ATOM 138 OH TYR A 7 9.721 4.290 -2.663 1.00 10.00 O ATOM 0 H TYR A 7 6.074 -0.441 -5.647 1.00 10.00 H new ATOM 0 HA TYR A 7 3.744 1.196 -5.330 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.344 1.388 -3.223 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.388 0.034 -3.607 1.00 10.00 H new ATOM 0 HD1 TYR A 7 7.810 0.451 -4.152 1.00 10.00 H new ATOM 0 HD2 TYR A 7 5.250 3.495 -2.513 1.00 10.00 H new ATOM 0 HE1 TYR A 7 9.797 1.864 -3.677 1.00 10.00 H new ATOM 0 HE2 TYR A 7 7.243 4.893 -2.004 1.00 10.00 H new ATOM 0 HH TYR A 7 9.441 5.118 -2.219 1.00 10.00 H new ATOM 148 N ASN A 8 6.368 2.614 -6.640 1.00 10.00 N ATOM 149 CA ASN A 8 6.856 3.751 -7.412 1.00 10.00 C ATOM 150 C ASN A 8 6.008 4.083 -8.632 1.00 10.00 C ATOM 151 O ASN A 8 6.073 5.200 -9.132 1.00 10.00 O ATOM 152 CB ASN A 8 8.279 3.436 -7.894 1.00 10.00 C ATOM 153 CG ASN A 8 9.293 4.258 -7.135 1.00 10.00 C ATOM 154 OD1 ASN A 8 10.147 4.922 -7.709 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.165 4.250 -5.822 1.00 10.00 N ATOM 0 H ASN A 8 7.002 1.816 -6.683 1.00 10.00 H new ATOM 0 HA ASN A 8 6.816 4.616 -6.751 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.488 2.375 -7.758 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.361 3.643 -8.961 1.00 10.00 H new ATOM 0 HD21 ASN A 8 9.791 4.811 -5.245 1.00 10.00 H new ATOM 0 HD22 ASN A 8 8.440 3.682 -5.384 1.00 10.00 H new ATOM 162 N LYS A 9 5.262 3.106 -9.138 1.00 10.00 N ATOM 163 CA LYS A 9 4.277 3.323 -10.200 1.00 10.00 C ATOM 164 C LYS A 9 2.830 3.409 -9.682 1.00 10.00 C ATOM 165 O LYS A 9 1.991 4.034 -10.327 1.00 10.00 O ATOM 166 CB LYS A 9 4.457 2.273 -11.302 1.00 10.00 C ATOM 167 CG LYS A 9 3.617 2.561 -12.561 1.00 10.00 C ATOM 168 CD LYS A 9 3.889 3.913 -13.254 1.00 10.00 C ATOM 169 CE LYS A 9 5.376 4.135 -13.574 1.00 10.00 C ATOM 170 NZ LYS A 9 5.567 5.093 -14.689 1.00 10.00 N ATOM 0 H LYS A 9 5.321 2.137 -8.824 1.00 10.00 H new ATOM 0 HA LYS A 9 4.467 4.305 -10.633 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.510 2.224 -11.579 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.185 1.293 -10.909 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.792 1.763 -13.282 1.00 10.00 H new ATOM 0 HG3 LYS A 9 2.562 2.519 -12.289 1.00 10.00 H new ATOM 0 HD2 LYS A 9 3.313 3.964 -14.178 1.00 10.00 H new ATOM 0 HD3 LYS A 9 3.536 4.721 -12.613 1.00 10.00 H new ATOM 0 HE2 LYS A 9 5.887 4.506 -12.685 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.838 3.182 -13.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 6.584 5.214 -14.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 5.102 4.727 -15.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 5.150 6.011 -14.434 1.00 10.00 H new ATOM 184 N ALA A 10 2.531 2.754 -8.557 1.00 10.00 N ATOM 185 CA ALA A 10 1.174 2.501 -8.068 1.00 10.00 C ATOM 186 C ALA A 10 0.863 3.364 -6.848 1.00 10.00 C ATOM 187 O ALA A 10 0.139 4.354 -6.939 1.00 10.00 O ATOM 188 CB ALA A 10 0.988 1.007 -7.764 1.00 10.00 C ATOM 0 H ALA A 10 3.250 2.373 -7.942 1.00 10.00 H new ATOM 0 HA ALA A 10 0.465 2.777 -8.849 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.025 0.833 -7.401 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.153 0.428 -8.672 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.704 0.699 -7.002 1.00 10.00 H new ATOM 194 N CYS A 11 1.463 3.042 -5.700 1.00 10.00 N ATOM 195 CA CYS A 11 1.298 3.767 -4.443 1.00 10.00 C ATOM 196 C CYS A 11 2.101 5.099 -4.468 1.00 10.00 C ATOM 197 O CYS A 11 2.663 5.535 -3.467 1.00 10.00 O ATOM 198 CB CYS A 11 1.655 2.859 -3.270 1.00 10.00 C ATOM 199 SG CYS A 11 1.646 1.056 -3.577 1.00 10.00 S ATOM 0 H CYS A 11 2.095 2.246 -5.619 1.00 10.00 H new ATOM 0 HA CYS A 11 0.254 4.052 -4.312 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.648 3.137 -2.918 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.959 3.067 -2.457 1.00 10.00 H new ATOM 0 HG CYS A 11 1.971 0.428 -2.486 1.00 10.00 H new ATOM 204 N THR A 12 2.139 5.766 -5.631 1.00 10.00 N ATOM 205 CA THR A 12 2.993 6.916 -5.937 1.00 10.00 C ATOM 206 C THR A 12 2.228 8.170 -6.319 1.00 10.00 C ATOM 207 O THR A 12 2.836 9.198 -6.614 1.00 10.00 O ATOM 208 CB THR A 12 3.967 6.587 -7.074 1.00 10.00 C ATOM 209 OG1 THR A 12 4.952 7.589 -7.120 1.00 10.00 O ATOM 210 CG2 THR A 12 3.242 6.536 -8.430 1.00 10.00 C ATOM 0 H THR A 12 1.546 5.504 -6.418 1.00 10.00 H new ATOM 0 HA THR A 12 3.527 7.121 -5.009 1.00 10.00 H new ATOM 0 HB THR A 12 4.411 5.609 -6.886 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.537 8.463 -6.962 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.958 6.301 -9.217 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.469 5.768 -8.401 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.784 7.504 -8.634 1.00 10.00 H new ATOM 218 N VAL A 13 0.906 8.078 -6.373 1.00 10.00 N ATOM 219 CA VAL A 13 0.056 9.160 -6.840 1.00 10.00 C ATOM 220 C VAL A 13 -0.539 9.871 -5.621 1.00 10.00 C ATOM 221 O VAL A 13 -0.626 11.093 -5.551 1.00 10.00 O ATOM 222 CB VAL A 13 -1.008 8.547 -7.761 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.764 9.671 -8.456 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.380 7.643 -8.834 1.00 10.00 C ATOM 0 H VAL A 13 0.392 7.243 -6.091 1.00 10.00 H new ATOM 0 HA VAL A 13 0.604 9.910 -7.411 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.676 7.941 -7.149 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.523 9.247 -9.113 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.243 10.303 -7.709 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.068 10.269 -9.044 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.166 7.228 -9.466 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.307 8.228 -9.446 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.165 6.831 -8.352 1.00 10.00 H new ATOM 234 N CYS A 14 -0.903 9.045 -4.644 1.00 10.00 N ATOM 235 CA CYS A 14 -1.534 9.377 -3.387 1.00 10.00 C ATOM 236 C CYS A 14 -0.500 9.380 -2.256 1.00 10.00 C ATOM 237 O CYS A 14 -0.216 10.423 -1.674 1.00 10.00 O ATOM 238 CB CYS A 14 -2.627 8.360 -3.229 1.00 10.00 C ATOM 239 SG CYS A 14 -3.918 8.761 -4.438 1.00 10.00 S ATOM 0 H CYS A 14 -0.747 8.041 -4.727 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.959 10.380 -3.358 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.243 7.354 -3.397 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.029 8.383 -2.216 1.00 10.00 H new ATOM 0 HG CYS A 14 -4.888 7.901 -4.338 1.00 10.00 H new ATOM 244 N HIS A 15 0.105 8.227 -1.968 1.00 10.00 N ATOM 245 CA HIS A 15 0.928 8.007 -0.780 1.00 10.00 C ATOM 246 C HIS A 15 2.314 8.676 -0.831 1.00 10.00 C ATOM 247 O HIS A 15 2.860 9.047 0.207 1.00 10.00 O ATOM 248 CB HIS A 15 1.067 6.497 -0.595 1.00 10.00 C ATOM 249 CG HIS A 15 -0.198 5.825 -0.145 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.443 5.469 1.148 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.198 5.313 -0.927 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.544 4.696 1.147 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.067 4.598 -0.091 1.00 10.00 N ATOM 0 H HIS A 15 0.035 7.404 -2.566 1.00 10.00 H new ATOM 0 HA HIS A 15 0.428 8.478 0.066 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.389 6.053 -1.537 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.852 6.300 0.135 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.106 5.739 1.964 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.299 5.437 -1.995 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.955 4.217 2.023 1.00 10.00 H new ATOM 261 N SER A 16 2.878 8.846 -2.033 1.00 10.00 N ATOM 262 CA SER A 16 4.181 9.495 -2.237 1.00 10.00 C ATOM 263 C SER A 16 4.202 10.887 -1.603 1.00 10.00 C ATOM 264 O SER A 16 5.154 11.237 -0.910 1.00 10.00 O ATOM 265 CB SER A 16 4.547 9.585 -3.733 1.00 10.00 C ATOM 266 OG SER A 16 5.331 8.467 -4.113 1.00 10.00 O ATOM 0 H SER A 16 2.440 8.535 -2.900 1.00 10.00 H new ATOM 0 HA SER A 16 4.930 8.874 -1.746 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.639 9.624 -4.335 1.00 10.00 H new ATOM 0 HB3 SER A 16 5.097 10.506 -3.926 1.00 10.00 H new ATOM 0 HG SER A 16 5.259 8.331 -5.081 1.00 10.00 H new ATOM 272 N MET A 17 3.152 11.674 -1.861 1.00 10.00 N ATOM 273 CA MET A 17 3.056 13.071 -1.446 1.00 10.00 C ATOM 274 C MET A 17 1.906 13.313 -0.448 1.00 10.00 C ATOM 275 O MET A 17 1.827 14.381 0.154 1.00 10.00 O ATOM 276 CB MET A 17 2.948 13.913 -2.727 1.00 10.00 C ATOM 277 CG MET A 17 3.403 15.373 -2.566 1.00 10.00 C ATOM 278 SD MET A 17 4.569 15.929 -3.842 1.00 10.00 S ATOM 279 CE MET A 17 4.821 17.643 -3.351 1.00 10.00 C ATOM 0 H MET A 17 2.332 11.349 -2.373 1.00 10.00 H new ATOM 0 HA MET A 17 3.944 13.369 -0.889 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.545 13.443 -3.508 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.913 13.903 -3.068 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.526 16.020 -2.583 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.868 15.492 -1.587 1.00 10.00 H new ATOM 0 HE1 MET A 17 5.516 18.121 -4.041 1.00 10.00 H new ATOM 0 HE2 MET A 17 3.868 18.171 -3.372 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.232 17.676 -2.342 1.00 10.00 H new ATOM 289 N GLY A 18 1.024 12.324 -0.254 1.00 10.00 N ATOM 290 CA GLY A 18 -0.133 12.426 0.638 1.00 10.00 C ATOM 291 C GLY A 18 -1.305 13.193 0.009 1.00 10.00 C ATOM 292 O GLY A 18 -1.893 14.079 0.628 1.00 10.00 O ATOM 0 H GLY A 18 1.097 11.419 -0.720 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.465 11.424 0.910 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.168 12.924 1.560 1.00 10.00 H new ATOM 296 N VAL A 19 -1.656 12.834 -1.228 1.00 10.00 N ATOM 297 CA VAL A 19 -2.777 13.386 -1.984 1.00 10.00 C ATOM 298 C VAL A 19 -4.041 12.582 -1.663 1.00 10.00 C ATOM 299 O VAL A 19 -3.973 11.463 -1.162 1.00 10.00 O ATOM 300 CB VAL A 19 -2.445 13.391 -3.490 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.592 13.904 -4.370 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.200 14.240 -3.762 1.00 10.00 C ATOM 0 H VAL A 19 -1.145 12.122 -1.749 1.00 10.00 H new ATOM 0 HA VAL A 19 -2.959 14.422 -1.697 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.269 12.349 -3.755 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.287 13.879 -5.416 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.468 13.270 -4.232 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.837 14.928 -4.088 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.980 14.232 -4.830 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.380 15.264 -3.436 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.352 13.829 -3.214 1.00 10.00 H new ATOM 312 N ALA A 20 -5.214 13.177 -1.884 1.00 10.00 N ATOM 313 CA ALA A 20 -6.510 12.590 -1.538 1.00 10.00 C ATOM 314 C ALA A 20 -6.654 12.245 -0.045 1.00 10.00 C ATOM 315 O ALA A 20 -7.442 11.380 0.326 1.00 10.00 O ATOM 316 CB ALA A 20 -6.801 11.389 -2.441 1.00 10.00 C ATOM 0 H ALA A 20 -5.292 14.097 -2.317 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.266 13.354 -1.719 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.767 10.960 -2.175 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.821 11.713 -3.482 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.022 10.638 -2.310 1.00 10.00 H new ATOM 322 N GLY A 21 -5.859 12.899 0.809 1.00 10.00 N ATOM 323 CA GLY A 21 -5.761 12.580 2.232 1.00 10.00 C ATOM 324 C GLY A 21 -5.014 11.268 2.511 1.00 10.00 C ATOM 325 O GLY A 21 -4.975 10.808 3.649 1.00 10.00 O ATOM 0 H GLY A 21 -5.259 13.674 0.525 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.252 13.396 2.746 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.765 12.515 2.652 1.00 10.00 H new ATOM 329 N ALA A 22 -4.398 10.660 1.490 1.00 10.00 N ATOM 330 CA ALA A 22 -3.686 9.399 1.635 1.00 10.00 C ATOM 331 C ALA A 22 -2.547 9.504 2.661 1.00 10.00 C ATOM 332 O ALA A 22 -1.864 10.527 2.744 1.00 10.00 O ATOM 333 CB ALA A 22 -3.171 8.940 0.270 1.00 10.00 C ATOM 0 H ALA A 22 -4.383 11.035 0.541 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.380 8.651 2.017 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.638 7.996 0.381 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.012 8.804 -0.409 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.495 9.693 -0.136 1.00 10.00 H new ATOM 339 N PRO A 23 -2.323 8.449 3.452 1.00 10.00 N ATOM 340 CA PRO A 23 -1.286 8.432 4.469 1.00 10.00 C ATOM 341 C PRO A 23 0.102 8.304 3.838 1.00 10.00 C ATOM 342 O PRO A 23 0.260 7.663 2.795 1.00 10.00 O ATOM 343 CB PRO A 23 -1.623 7.221 5.308 1.00 10.00 C ATOM 344 CG PRO A 23 -2.263 6.247 4.320 1.00 10.00 C ATOM 345 CD PRO A 23 -3.036 7.182 3.399 1.00 10.00 C ATOM 0 HA PRO A 23 -1.255 9.350 5.055 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.731 6.794 5.767 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.308 7.475 6.117 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.516 5.668 3.778 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.919 5.533 4.819 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.070 6.792 2.382 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.068 7.297 3.731 1.00 10.00 H new ATOM 353 N LYS A 24 1.119 8.869 4.502 1.00 10.00 N ATOM 354 CA LYS A 24 2.473 8.930 3.959 1.00 10.00 C ATOM 355 C LYS A 24 3.028 7.536 3.600 1.00 10.00 C ATOM 356 O LYS A 24 2.686 6.504 4.207 1.00 10.00 O ATOM 357 CB LYS A 24 3.425 9.700 4.907 1.00 10.00 C ATOM 358 CG LYS A 24 3.700 11.164 4.507 1.00 10.00 C ATOM 359 CD LYS A 24 2.497 12.096 4.744 1.00 10.00 C ATOM 360 CE LYS A 24 2.612 12.891 6.059 1.00 10.00 C ATOM 361 NZ LYS A 24 1.295 13.056 6.713 1.00 10.00 N ATOM 0 H LYS A 24 1.023 9.293 5.425 1.00 10.00 H new ATOM 0 HA LYS A 24 2.414 9.487 3.024 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.002 9.687 5.911 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.375 9.168 4.954 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.555 11.534 5.074 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.977 11.200 3.453 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.412 12.792 3.909 1.00 10.00 H new ATOM 0 HD3 LYS A 24 1.582 11.504 4.761 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.294 12.377 6.737 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.043 13.871 5.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 1.410 13.595 7.595 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 0.652 13.568 6.075 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 0.895 12.121 6.929 1.00 10.00 H new ATOM 375 N SER A 25 3.919 7.556 2.605 1.00 10.00 N ATOM 376 CA SER A 25 4.725 6.455 2.099 1.00 10.00 C ATOM 377 C SER A 25 5.584 5.792 3.187 1.00 10.00 C ATOM 378 O SER A 25 5.778 4.582 3.151 1.00 10.00 O ATOM 379 CB SER A 25 5.587 7.016 0.961 1.00 10.00 C ATOM 380 OG SER A 25 6.189 8.230 1.388 1.00 10.00 O ATOM 0 H SER A 25 4.107 8.418 2.093 1.00 10.00 H new ATOM 0 HA SER A 25 4.072 5.660 1.738 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.354 6.295 0.680 1.00 10.00 H new ATOM 0 HB3 SER A 25 4.974 7.191 0.077 1.00 10.00 H new ATOM 0 HG SER A 25 6.743 8.592 0.665 1.00 10.00 H new ATOM 386 N HIS A 26 6.082 6.557 4.165 1.00 10.00 N ATOM 387 CA HIS A 26 6.864 6.019 5.282 1.00 10.00 C ATOM 388 C HIS A 26 6.532 6.711 6.619 1.00 10.00 C ATOM 389 O HIS A 26 7.411 7.149 7.357 1.00 10.00 O ATOM 390 CB HIS A 26 8.361 6.023 4.918 1.00 10.00 C ATOM 391 CG HIS A 26 9.024 7.378 4.962 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.868 7.813 5.958 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.777 8.442 4.136 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.117 9.115 5.741 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.475 9.543 4.642 1.00 10.00 N ATOM 0 H HIS A 26 5.953 7.568 4.204 1.00 10.00 H new ATOM 0 HA HIS A 26 6.581 4.980 5.448 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.887 5.355 5.600 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.477 5.611 3.916 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.155 8.432 3.253 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.747 9.732 6.364 1.00 10.00 H new ATOM 0 HE2 HIS A 26 9.493 10.486 4.253 1.00 10.00 H new ATOM 403 N ASN A 27 5.241 6.784 6.962 1.00 10.00 N ATOM 404 CA ASN A 27 4.817 7.231 8.288 1.00 10.00 C ATOM 405 C ASN A 27 5.193 6.173 9.345 1.00 10.00 C ATOM 406 O ASN A 27 5.394 5.005 9.019 1.00 10.00 O ATOM 407 CB ASN A 27 3.293 7.519 8.300 1.00 10.00 C ATOM 408 CG ASN A 27 2.903 9.000 8.423 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.726 9.841 8.749 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.647 9.392 8.208 1.00 10.00 N ATOM 0 H ASN A 27 4.473 6.538 6.337 1.00 10.00 H new ATOM 0 HA ASN A 27 5.334 8.159 8.534 1.00 10.00 H new ATOM 0 HB2 ASN A 27 2.858 7.121 7.383 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.844 6.972 9.129 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.394 10.374 8.317 1.00 10.00 H new ATOM 0 HD22 ASN A 27 0.940 8.710 7.935 1.00 10.00 H new ATOM 417 N THR A 28 5.227 6.565 10.622 1.00 10.00 N ATOM 418 CA THR A 28 5.253 5.614 11.739 1.00 10.00 C ATOM 419 C THR A 28 3.914 5.586 12.486 1.00 10.00 C ATOM 420 O THR A 28 3.427 4.524 12.851 1.00 10.00 O ATOM 421 CB THR A 28 6.429 5.958 12.666 1.00 10.00 C ATOM 422 OG1 THR A 28 6.591 4.930 13.609 1.00 10.00 O ATOM 423 CG2 THR A 28 6.258 7.275 13.428 1.00 10.00 C ATOM 0 H THR A 28 5.237 7.543 10.910 1.00 10.00 H new ATOM 0 HA THR A 28 5.401 4.606 11.351 1.00 10.00 H new ATOM 0 HB THR A 28 7.300 6.067 12.019 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.341 5.145 14.202 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.130 7.446 14.060 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.158 8.096 12.718 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.364 7.222 14.050 1.00 10.00 H new ATOM 431 N ALA A 29 3.206 6.718 12.564 1.00 10.00 N ATOM 432 CA ALA A 29 1.942 6.816 13.302 1.00 10.00 C ATOM 433 C ALA A 29 0.731 6.272 12.524 1.00 10.00 C ATOM 434 O ALA A 29 -0.260 5.856 13.113 1.00 10.00 O ATOM 435 CB ALA A 29 1.726 8.271 13.692 1.00 10.00 C ATOM 0 H ALA A 29 3.492 7.590 12.119 1.00 10.00 H new ATOM 0 HA ALA A 29 2.021 6.185 14.188 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.790 8.365 14.242 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.552 8.606 14.320 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.682 8.886 12.793 1.00 10.00 H new ATOM 441 N ASP A 30 0.825 6.267 11.193 1.00 10.00 N ATOM 442 CA ASP A 30 -0.163 5.712 10.269 1.00 10.00 C ATOM 443 C ASP A 30 0.007 4.195 10.104 1.00 10.00 C ATOM 444 O ASP A 30 -0.888 3.512 9.611 1.00 10.00 O ATOM 445 CB ASP A 30 0.059 6.399 8.917 1.00 10.00 C ATOM 446 CG ASP A 30 -1.123 7.176 8.412 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.221 6.576 8.364 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.836 8.318 7.986 1.00 10.00 O ATOM 0 H ASP A 30 1.628 6.668 10.709 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.168 5.885 10.655 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.912 7.073 9.002 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.323 5.642 8.178 1.00 10.00 H new ATOM 453 N TRP A 31 1.192 3.692 10.466 1.00 10.00 N ATOM 454 CA TRP A 31 1.600 2.301 10.338 1.00 10.00 C ATOM 455 C TRP A 31 1.549 1.588 11.707 1.00 10.00 C ATOM 456 O TRP A 31 1.143 0.428 11.766 1.00 10.00 O ATOM 457 CB TRP A 31 2.970 2.246 9.643 1.00 10.00 C ATOM 458 CG TRP A 31 3.022 2.750 8.218 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.976 4.050 7.852 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.145 2.016 6.958 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.090 4.190 6.489 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.180 2.963 5.888 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.239 0.655 6.599 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.241 2.586 4.546 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.233 0.266 5.248 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.151 1.229 4.233 1.00 10.00 C ATOM 0 H TRP A 31 1.922 4.276 10.874 1.00 10.00 H new ATOM 0 HA TRP A 31 0.903 1.748 9.708 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.678 2.825 10.236 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.317 1.213 9.653 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.864 4.873 8.542 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.105 5.082 5.995 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.316 -0.097 7.371 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.355 3.327 3.768 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.292 -0.781 4.991 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.018 0.920 3.207 1.00 10.00 H new ATOM 477 N GLU A 32 1.849 2.275 12.821 1.00 10.00 N ATOM 478 CA GLU A 32 1.648 1.750 14.179 1.00 10.00 C ATOM 479 C GLU A 32 0.297 1.024 14.369 1.00 10.00 C ATOM 480 O GLU A 32 0.287 -0.162 14.701 1.00 10.00 O ATOM 481 CB GLU A 32 1.823 2.867 15.229 1.00 10.00 C ATOM 482 CG GLU A 32 3.199 2.873 15.922 1.00 10.00 C ATOM 483 CD GLU A 32 3.086 3.251 17.395 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.681 2.357 18.168 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.385 4.421 17.715 1.00 10.00 O ATOM 0 H GLU A 32 2.240 3.217 12.803 1.00 10.00 H new ATOM 0 HA GLU A 32 2.419 0.994 14.328 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.668 3.832 14.746 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.047 2.762 15.987 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.656 1.887 15.833 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.859 3.577 15.415 1.00 10.00 H new ATOM 492 N PRO A 33 -0.857 1.674 14.117 1.00 10.00 N ATOM 493 CA PRO A 33 -2.161 1.041 14.294 1.00 10.00 C ATOM 494 C PRO A 33 -2.479 -0.020 13.225 1.00 10.00 C ATOM 495 O PRO A 33 -3.570 -0.590 13.226 1.00 10.00 O ATOM 496 CB PRO A 33 -3.171 2.196 14.297 1.00 10.00 C ATOM 497 CG PRO A 33 -2.496 3.298 13.481 1.00 10.00 C ATOM 498 CD PRO A 33 -1.003 3.064 13.709 1.00 10.00 C ATOM 0 HA PRO A 33 -2.193 0.473 15.224 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.119 1.895 13.850 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.389 2.530 15.311 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.754 3.228 12.424 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.801 4.289 13.818 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.436 3.262 12.799 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.618 3.736 14.477 1.00 10.00 H new ATOM 506 N ARG A 34 -1.539 -0.303 12.317 1.00 10.00 N ATOM 507 CA ARG A 34 -1.650 -1.296 11.259 1.00 10.00 C ATOM 508 C ARG A 34 -0.804 -2.532 11.647 1.00 10.00 C ATOM 509 O ARG A 34 -1.333 -3.645 11.724 1.00 10.00 O ATOM 510 CB ARG A 34 -1.266 -0.612 9.933 1.00 10.00 C ATOM 511 CG ARG A 34 -1.992 0.729 9.689 1.00 10.00 C ATOM 512 CD ARG A 34 -3.469 0.607 9.296 1.00 10.00 C ATOM 513 NE ARG A 34 -4.289 1.691 9.877 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.349 2.981 9.505 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.551 3.484 8.571 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.209 3.795 10.104 1.00 10.00 N ATOM 0 H ARG A 34 -0.641 0.180 12.305 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.662 -1.676 11.123 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.190 -0.439 9.923 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.487 -1.289 9.108 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -1.922 1.332 10.594 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.466 1.271 8.903 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.558 0.628 8.210 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.854 -0.357 9.629 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.886 1.426 10.661 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.865 2.886 8.111 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -3.624 4.468 8.314 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.818 3.440 10.841 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -5.261 4.775 9.827 1.00 10.00 H new ATOM 530 N LEU A 35 0.452 -2.321 12.080 1.00 10.00 N ATOM 531 CA LEU A 35 1.354 -3.297 12.727 1.00 10.00 C ATOM 532 C LEU A 35 0.780 -3.938 14.008 1.00 10.00 C ATOM 533 O LEU A 35 1.430 -4.787 14.613 1.00 10.00 O ATOM 534 CB LEU A 35 2.699 -2.606 13.053 1.00 10.00 C ATOM 535 CG LEU A 35 3.782 -2.839 11.986 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.676 -1.601 11.849 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.646 -4.057 12.336 1.00 10.00 C ATOM 0 H LEU A 35 0.894 -1.407 11.982 1.00 10.00 H new ATOM 0 HA LEU A 35 1.487 -4.112 12.016 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.531 -1.534 13.161 1.00 10.00 H new ATOM 0 HB3 LEU A 35 3.062 -2.970 14.014 1.00 10.00 H new ATOM 0 HG LEU A 35 3.278 -3.027 11.038 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.437 -1.784 11.090 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.069 -0.744 11.556 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.159 -1.394 12.804 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.404 -4.199 11.565 1.00 10.00 H new ATOM 0 HD22 LEU A 35 5.133 -3.894 13.298 1.00 10.00 H new ATOM 0 HD23 LEU A 35 4.017 -4.945 12.394 1.00 10.00 H new ATOM 549 N ALA A 36 -0.440 -3.573 14.408 1.00 10.00 N ATOM 550 CA ALA A 36 -1.149 -4.149 15.536 1.00 10.00 C ATOM 551 C ALA A 36 -1.945 -5.382 15.096 1.00 10.00 C ATOM 552 O ALA A 36 -2.281 -6.227 15.921 1.00 10.00 O ATOM 553 CB ALA A 36 -2.072 -3.087 16.139 1.00 10.00 C ATOM 0 H ALA A 36 -0.973 -2.843 13.935 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.434 -4.472 16.292 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.609 -3.511 16.987 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.478 -2.236 16.474 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.787 -2.756 15.386 1.00 10.00 H new ATOM 559 N LYS A 37 -2.257 -5.473 13.795 1.00 10.00 N ATOM 560 CA LYS A 37 -2.903 -6.634 13.202 1.00 10.00 C ATOM 561 C LYS A 37 -1.908 -7.451 12.363 1.00 10.00 C ATOM 562 O LYS A 37 -1.653 -8.612 12.667 1.00 10.00 O ATOM 563 CB LYS A 37 -4.143 -6.198 12.407 1.00 10.00 C ATOM 564 CG LYS A 37 -5.224 -5.610 13.330 1.00 10.00 C ATOM 565 CD LYS A 37 -6.611 -5.624 12.657 1.00 10.00 C ATOM 566 CE LYS A 37 -6.971 -4.311 11.948 1.00 10.00 C ATOM 567 NZ LYS A 37 -7.483 -3.297 12.898 1.00 10.00 N ATOM 0 H LYS A 37 -2.062 -4.730 13.124 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.247 -7.299 13.995 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.857 -5.456 11.661 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.550 -7.053 11.867 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.263 -6.182 14.257 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.959 -4.587 13.597 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.644 -6.438 11.933 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.368 -5.838 13.412 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.091 -3.920 11.438 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.723 -4.505 11.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -7.715 -2.424 12.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.338 -3.660 13.366 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -6.756 -3.093 13.613 1.00 10.00 H new ATOM 581 N GLY A 38 -1.369 -6.865 11.289 1.00 10.00 N ATOM 582 CA GLY A 38 -0.472 -7.563 10.367 1.00 10.00 C ATOM 583 C GLY A 38 -0.460 -6.897 8.990 1.00 10.00 C ATOM 584 O GLY A 38 -0.953 -5.780 8.847 1.00 10.00 O ATOM 0 H GLY A 38 -1.544 -5.892 11.036 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.538 -7.573 10.777 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.786 -8.602 10.268 1.00 10.00 H new ATOM 588 N VAL A 39 0.071 -7.596 7.983 1.00 10.00 N ATOM 589 CA VAL A 39 0.140 -7.126 6.597 1.00 10.00 C ATOM 590 C VAL A 39 -0.956 -7.747 5.734 1.00 10.00 C ATOM 591 O VAL A 39 -1.661 -7.056 4.989 1.00 10.00 O ATOM 592 CB VAL A 39 1.553 -7.351 6.024 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.359 -6.126 6.425 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.308 -8.585 6.546 1.00 10.00 C ATOM 0 H VAL A 39 0.473 -8.524 8.112 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.047 -6.052 6.586 1.00 10.00 H new ATOM 0 HB VAL A 39 1.438 -7.515 4.953 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.377 -6.221 6.048 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.898 -5.233 6.003 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.380 -6.044 7.512 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.288 -8.639 6.073 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.431 -8.506 7.626 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.741 -9.485 6.310 1.00 10.00 H new ATOM 604 N ASP A 40 -1.192 -9.041 5.928 1.00 10.00 N ATOM 605 CA ASP A 40 -2.135 -9.875 5.197 1.00 10.00 C ATOM 606 C ASP A 40 -3.616 -9.479 5.372 1.00 10.00 C ATOM 607 O ASP A 40 -4.507 -10.216 4.953 1.00 10.00 O ATOM 608 CB ASP A 40 -1.938 -11.324 5.641 1.00 10.00 C ATOM 609 CG ASP A 40 -0.499 -11.713 5.950 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.019 -11.152 6.944 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.048 -12.533 5.185 1.00 10.00 O ATOM 0 H ASP A 40 -0.696 -9.567 6.647 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.921 -9.736 4.137 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.545 -11.502 6.529 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.316 -11.982 4.859 1.00 10.00 H new ATOM 616 N ASN A 41 -3.880 -8.319 5.977 1.00 10.00 N ATOM 617 CA ASN A 41 -5.202 -7.750 6.208 1.00 10.00 C ATOM 618 C ASN A 41 -5.374 -6.596 5.219 1.00 10.00 C ATOM 619 O ASN A 41 -6.260 -6.575 4.370 1.00 10.00 O ATOM 620 CB ASN A 41 -5.311 -7.235 7.661 1.00 10.00 C ATOM 621 CG ASN A 41 -4.331 -7.853 8.647 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.635 -7.010 9.393 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.204 -9.063 8.768 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.135 -7.722 6.337 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.980 -8.499 6.063 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.165 -6.155 7.658 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.324 -7.418 8.019 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.751 -9.694 8.182 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.551 -9.441 9.455 1.00 10.00 H new ATOM 630 N LEU A 42 -4.456 -5.637 5.308 1.00 10.00 N ATOM 631 CA LEU A 42 -4.503 -4.407 4.548 1.00 10.00 C ATOM 632 C LEU A 42 -4.171 -4.689 3.084 1.00 10.00 C ATOM 633 O LEU A 42 -4.746 -4.067 2.191 1.00 10.00 O ATOM 634 CB LEU A 42 -3.545 -3.415 5.204 1.00 10.00 C ATOM 635 CG LEU A 42 -4.040 -3.036 6.616 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.905 -3.193 7.625 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.573 -1.602 6.669 1.00 10.00 C ATOM 0 H LEU A 42 -3.646 -5.702 5.925 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.501 -3.969 4.552 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.548 -3.851 5.267 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.463 -2.519 4.589 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.859 -3.709 6.867 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.262 -2.924 8.619 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.563 -4.228 7.630 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -2.078 -2.539 7.347 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.911 -1.377 7.680 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.780 -0.909 6.388 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.408 -1.498 5.976 1.00 10.00 H new ATOM 649 N VAL A 43 -3.334 -5.700 2.816 1.00 10.00 N ATOM 650 CA VAL A 43 -3.117 -6.131 1.442 1.00 10.00 C ATOM 651 C VAL A 43 -4.436 -6.622 0.804 1.00 10.00 C ATOM 652 O VAL A 43 -4.695 -6.423 -0.385 1.00 10.00 O ATOM 653 CB VAL A 43 -1.994 -7.175 1.438 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.497 -8.555 1.840 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.342 -7.265 0.060 1.00 10.00 C ATOM 0 H VAL A 43 -2.810 -6.220 3.519 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.797 -5.298 0.816 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.259 -6.846 2.173 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.669 -9.263 1.824 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.917 -8.511 2.845 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.266 -8.880 1.140 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.548 -8.012 0.081 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.091 -7.552 -0.679 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.921 -6.296 -0.207 1.00 10.00 H new ATOM 665 N LYS A 44 -5.315 -7.227 1.615 1.00 10.00 N ATOM 666 CA LYS A 44 -6.616 -7.693 1.153 1.00 10.00 C ATOM 667 C LYS A 44 -7.535 -6.502 0.832 1.00 10.00 C ATOM 668 O LYS A 44 -8.200 -6.490 -0.200 1.00 10.00 O ATOM 669 CB LYS A 44 -7.261 -8.684 2.141 1.00 10.00 C ATOM 670 CG LYS A 44 -6.322 -9.809 2.616 1.00 10.00 C ATOM 671 CD LYS A 44 -6.061 -10.959 1.619 1.00 10.00 C ATOM 672 CE LYS A 44 -4.553 -11.196 1.373 1.00 10.00 C ATOM 673 NZ LYS A 44 -4.180 -12.616 1.164 1.00 10.00 N ATOM 0 H LYS A 44 -5.139 -7.403 2.604 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.464 -8.249 0.228 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.616 -8.132 3.011 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.135 -9.132 1.669 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.363 -9.363 2.881 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.737 -10.237 3.528 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.513 -11.875 1.999 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.550 -10.732 0.671 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.245 -10.620 0.500 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.993 -10.808 2.224 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.154 -12.686 1.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -4.440 -13.171 2.005 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -4.684 -12.989 0.334 1.00 10.00 H new ATOM 687 N SER A 45 -7.530 -5.461 1.671 1.00 10.00 N ATOM 688 CA SER A 45 -8.266 -4.228 1.407 1.00 10.00 C ATOM 689 C SER A 45 -7.725 -3.545 0.147 1.00 10.00 C ATOM 690 O SER A 45 -8.481 -2.981 -0.642 1.00 10.00 O ATOM 691 CB SER A 45 -8.184 -3.297 2.623 1.00 10.00 C ATOM 692 OG SER A 45 -8.598 -3.994 3.785 1.00 10.00 O ATOM 0 H SER A 45 -7.015 -5.453 2.551 1.00 10.00 H new ATOM 0 HA SER A 45 -9.315 -4.468 1.233 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.163 -2.935 2.748 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.816 -2.422 2.467 1.00 10.00 H new ATOM 0 HG SER A 45 -8.543 -3.398 4.561 1.00 10.00 H new ATOM 698 N VAL A 46 -6.408 -3.628 -0.066 1.00 10.00 N ATOM 699 CA VAL A 46 -5.768 -3.035 -1.231 1.00 10.00 C ATOM 700 C VAL A 46 -6.309 -3.626 -2.534 1.00 10.00 C ATOM 701 O VAL A 46 -6.738 -2.900 -3.434 1.00 10.00 O ATOM 702 CB VAL A 46 -4.242 -3.146 -1.101 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.490 -3.063 -2.425 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.714 -2.043 -0.199 1.00 10.00 C ATOM 0 H VAL A 46 -5.764 -4.106 0.564 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.014 -1.974 -1.272 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.064 -4.137 -0.683 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.419 -3.150 -2.241 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.813 -3.873 -3.078 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.699 -2.106 -2.903 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.631 -2.130 -0.113 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.967 -1.072 -0.625 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.165 -2.134 0.789 1.00 10.00 H new ATOM 714 N LYS A 47 -6.324 -4.958 -2.622 1.00 10.00 N ATOM 715 CA LYS A 47 -6.882 -5.644 -3.783 1.00 10.00 C ATOM 716 C LYS A 47 -8.370 -5.316 -3.994 1.00 10.00 C ATOM 717 O LYS A 47 -8.842 -5.212 -5.122 1.00 10.00 O ATOM 718 CB LYS A 47 -6.572 -7.141 -3.699 1.00 10.00 C ATOM 719 CG LYS A 47 -7.689 -7.979 -3.057 1.00 10.00 C ATOM 720 CD LYS A 47 -7.110 -9.099 -2.190 1.00 10.00 C ATOM 721 CE LYS A 47 -7.193 -10.481 -2.850 1.00 10.00 C ATOM 722 NZ LYS A 47 -8.411 -11.198 -2.411 1.00 10.00 N ATOM 0 H LYS A 47 -5.956 -5.580 -1.902 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.398 -5.271 -4.686 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.381 -7.518 -4.704 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.654 -7.279 -3.127 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.326 -7.337 -2.449 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.320 -8.407 -3.836 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.068 -8.873 -1.965 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.642 -9.125 -1.239 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.200 -10.372 -3.934 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.309 -11.065 -2.594 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -8.449 -12.131 -2.869 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -8.389 -11.320 -1.378 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.253 -10.648 -2.677 1.00 10.00 H new ATOM 736 N THR A 48 -9.097 -5.109 -2.894 1.00 10.00 N ATOM 737 CA THR A 48 -10.520 -4.778 -2.910 1.00 10.00 C ATOM 738 C THR A 48 -10.770 -3.339 -3.367 1.00 10.00 C ATOM 739 O THR A 48 -11.789 -3.080 -4.003 1.00 10.00 O ATOM 740 CB THR A 48 -11.108 -5.032 -1.512 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.173 -6.428 -1.301 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.510 -4.455 -1.302 1.00 10.00 C ATOM 0 H THR A 48 -8.706 -5.168 -1.954 1.00 10.00 H new ATOM 0 HA THR A 48 -11.020 -5.419 -3.636 1.00 10.00 H new ATOM 0 HB THR A 48 -10.450 -4.526 -0.805 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.325 -6.741 -0.922 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.848 -4.680 -0.290 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.484 -3.375 -1.444 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.198 -4.899 -2.022 1.00 10.00 H new ATOM 750 N GLY A 49 -9.868 -2.399 -3.060 1.00 10.00 N ATOM 751 CA GLY A 49 -10.128 -0.981 -3.255 1.00 10.00 C ATOM 752 C GLY A 49 -11.034 -0.429 -2.155 1.00 10.00 C ATOM 753 O GLY A 49 -12.194 -0.813 -2.021 1.00 10.00 O ATOM 0 H GLY A 49 -8.947 -2.605 -2.673 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.186 -0.433 -3.262 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.595 -0.825 -4.227 1.00 10.00 H new ATOM 757 N LEU A 50 -10.486 0.478 -1.351 1.00 10.00 N ATOM 758 CA LEU A 50 -11.240 1.304 -0.414 1.00 10.00 C ATOM 759 C LEU A 50 -12.116 2.335 -1.178 1.00 10.00 C ATOM 760 O LEU A 50 -12.438 2.145 -2.345 1.00 10.00 O ATOM 761 CB LEU A 50 -10.208 1.929 0.535 1.00 10.00 C ATOM 762 CG LEU A 50 -10.784 2.310 1.912 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.281 1.327 2.976 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.373 3.735 2.296 1.00 10.00 C ATOM 0 H LEU A 50 -9.483 0.663 -1.333 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.954 0.728 0.175 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.386 1.227 0.676 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.790 2.820 0.067 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.872 2.263 1.855 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.691 1.601 3.948 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.601 0.317 2.719 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -9.192 1.363 3.019 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.790 3.984 3.272 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.286 3.801 2.339 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.750 4.436 1.551 1.00 10.00 H new ATOM 776 N ASN A 51 -12.518 3.451 -0.560 1.00 10.00 N ATOM 777 CA ASN A 51 -13.436 4.410 -1.205 1.00 10.00 C ATOM 778 C ASN A 51 -12.736 5.189 -2.319 1.00 10.00 C ATOM 779 O ASN A 51 -13.075 5.107 -3.495 1.00 10.00 O ATOM 780 CB ASN A 51 -14.026 5.378 -0.166 1.00 10.00 C ATOM 781 CG ASN A 51 -14.472 4.589 1.050 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.591 4.490 2.035 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.539 3.995 1.074 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.227 3.716 0.381 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.249 3.839 -1.653 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.282 6.122 0.120 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.870 5.920 -0.593 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.195 4.093 0.299 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.774 3.401 1.869 1.00 10.00 H new ATOM 790 N ALA A 52 -11.732 5.958 -1.904 1.00 10.00 N ATOM 791 CA ALA A 52 -10.867 6.740 -2.773 1.00 10.00 C ATOM 792 C ALA A 52 -9.857 5.854 -3.517 1.00 10.00 C ATOM 793 O ALA A 52 -9.276 6.274 -4.515 1.00 10.00 O ATOM 794 CB ALA A 52 -10.164 7.769 -1.886 1.00 10.00 C ATOM 0 H ALA A 52 -11.493 6.055 -0.917 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.452 7.235 -3.549 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.501 8.382 -2.496 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.908 8.405 -1.407 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.581 7.254 -1.122 1.00 10.00 H new ATOM 800 N MET A 53 -9.624 4.639 -3.008 1.00 10.00 N ATOM 801 CA MET A 53 -8.593 3.741 -3.514 1.00 10.00 C ATOM 802 C MET A 53 -9.171 2.703 -4.495 1.00 10.00 C ATOM 803 O MET A 53 -10.050 1.938 -4.107 1.00 10.00 O ATOM 804 CB MET A 53 -7.948 3.080 -2.298 1.00 10.00 C ATOM 805 CG MET A 53 -6.475 2.760 -2.523 1.00 10.00 C ATOM 806 SD MET A 53 -5.708 2.369 -0.941 1.00 10.00 S ATOM 807 CE MET A 53 -5.866 0.575 -0.995 1.00 10.00 C ATOM 0 H MET A 53 -10.153 4.253 -2.226 1.00 10.00 H new ATOM 0 HA MET A 53 -7.848 4.295 -4.086 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.046 3.739 -1.435 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.484 2.161 -2.060 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.374 1.918 -3.208 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.972 3.610 -2.985 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.556 0.154 -0.039 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.904 0.307 -1.191 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.233 0.178 -1.788 1.00 10.00 H new ATOM 817 N PRO A 54 -8.713 2.650 -5.757 1.00 10.00 N ATOM 818 CA PRO A 54 -9.326 1.787 -6.759 1.00 10.00 C ATOM 819 C PRO A 54 -9.068 0.296 -6.470 1.00 10.00 C ATOM 820 O PRO A 54 -8.103 -0.044 -5.782 1.00 10.00 O ATOM 821 CB PRO A 54 -8.764 2.264 -8.104 1.00 10.00 C ATOM 822 CG PRO A 54 -7.436 2.933 -7.750 1.00 10.00 C ATOM 823 CD PRO A 54 -7.634 3.443 -6.322 1.00 10.00 C ATOM 0 HA PRO A 54 -10.413 1.861 -6.757 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.617 1.430 -8.791 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.443 2.963 -8.592 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.608 2.227 -7.808 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -7.208 3.749 -8.435 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.721 3.331 -5.738 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.886 4.503 -6.318 1.00 10.00 H new ATOM 831 N PRO A 55 -9.936 -0.604 -6.969 1.00 10.00 N ATOM 832 CA PRO A 55 -9.826 -2.034 -6.720 1.00 10.00 C ATOM 833 C PRO A 55 -8.536 -2.560 -7.336 1.00 10.00 C ATOM 834 O PRO A 55 -8.351 -2.447 -8.547 1.00 10.00 O ATOM 835 CB PRO A 55 -11.087 -2.668 -7.316 1.00 10.00 C ATOM 836 CG PRO A 55 -11.545 -1.670 -8.379 1.00 10.00 C ATOM 837 CD PRO A 55 -11.047 -0.317 -7.865 1.00 10.00 C ATOM 0 HA PRO A 55 -9.769 -2.279 -5.660 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.874 -3.644 -7.752 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.853 -2.819 -6.556 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.121 -1.906 -9.355 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.629 -1.678 -8.492 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.727 0.318 -8.691 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.841 0.216 -7.342 1.00 10.00 H new ATOM 845 N GLY A 56 -7.625 -3.088 -6.509 1.00 10.00 N ATOM 846 CA GLY A 56 -6.328 -3.517 -7.001 1.00 10.00 C ATOM 847 C GLY A 56 -5.258 -2.426 -6.883 1.00 10.00 C ATOM 848 O GLY A 56 -4.322 -2.388 -7.687 1.00 10.00 O ATOM 0 H GLY A 56 -7.768 -3.224 -5.508 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.006 -4.397 -6.444 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.421 -3.817 -8.045 1.00 10.00 H new ATOM 852 N GLY A 57 -5.391 -1.559 -5.869 1.00 10.00 N ATOM 853 CA GLY A 57 -4.439 -0.516 -5.485 1.00 10.00 C ATOM 854 C GLY A 57 -4.278 0.613 -6.511 1.00 10.00 C ATOM 855 O GLY A 57 -4.564 1.772 -6.219 1.00 10.00 O ATOM 0 H GLY A 57 -6.212 -1.570 -5.264 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.757 -0.084 -4.536 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.466 -0.976 -5.315 1.00 10.00 H new ATOM 859 N MET A 58 -3.781 0.254 -7.699 1.00 10.00 N ATOM 860 CA MET A 58 -3.674 1.069 -8.904 1.00 10.00 C ATOM 861 C MET A 58 -3.231 0.212 -10.102 1.00 10.00 C ATOM 862 O MET A 58 -3.709 0.405 -11.216 1.00 10.00 O ATOM 863 CB MET A 58 -2.683 2.218 -8.706 1.00 10.00 C ATOM 864 CG MET A 58 -2.987 3.354 -9.696 1.00 10.00 C ATOM 865 SD MET A 58 -1.567 4.283 -10.316 1.00 10.00 S ATOM 866 CE MET A 58 -0.878 3.056 -11.444 1.00 10.00 C ATOM 0 H MET A 58 -3.416 -0.687 -7.850 1.00 10.00 H new ATOM 0 HA MET A 58 -4.660 1.487 -9.106 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.745 2.590 -7.683 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.664 1.859 -8.853 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.517 2.930 -10.549 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.669 4.054 -9.213 1.00 10.00 H new ATOM 0 HE1 MET A 58 -0.028 3.486 -11.974 1.00 10.00 H new ATOM 0 HE2 MET A 58 -0.549 2.185 -10.877 1.00 10.00 H new ATOM 0 HE3 MET A 58 -1.640 2.755 -12.163 1.00 10.00 H new ATOM 876 N CYS A 59 -2.307 -0.734 -9.877 1.00 10.00 N ATOM 877 CA CYS A 59 -1.783 -1.593 -10.941 1.00 10.00 C ATOM 878 C CYS A 59 -2.770 -2.711 -11.309 1.00 10.00 C ATOM 879 O CYS A 59 -2.780 -3.175 -12.448 1.00 10.00 O ATOM 880 CB CYS A 59 -0.405 -2.171 -10.553 1.00 10.00 C ATOM 881 SG CYS A 59 -0.314 -3.978 -10.376 1.00 10.00 S ATOM 0 H CYS A 59 -1.906 -0.922 -8.958 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.653 -0.973 -11.828 1.00 10.00 H new ATOM 0 HB2 CYS A 59 0.320 -1.864 -11.307 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.097 -1.718 -9.611 1.00 10.00 H new ATOM 886 N THR A 60 -3.559 -3.177 -10.335 1.00 10.00 N ATOM 887 CA THR A 60 -4.525 -4.259 -10.495 1.00 10.00 C ATOM 888 C THR A 60 -3.856 -5.631 -10.623 1.00 10.00 C ATOM 889 O THR A 60 -4.031 -6.484 -9.753 1.00 10.00 O ATOM 890 CB THR A 60 -5.533 -3.953 -11.617 1.00 10.00 C ATOM 891 OG1 THR A 60 -5.959 -2.611 -11.504 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.774 -4.837 -11.492 1.00 10.00 C ATOM 0 H THR A 60 -3.539 -2.798 -9.388 1.00 10.00 H new ATOM 0 HA THR A 60 -5.106 -4.317 -9.575 1.00 10.00 H new ATOM 0 HB THR A 60 -5.042 -4.138 -12.572 1.00 10.00 H new ATOM 0 HG1 THR A 60 -6.600 -2.410 -12.217 1.00 10.00 H new ATOM 0 HG21 THR A 60 -7.471 -4.602 -12.296 1.00 10.00 H new ATOM 0 HG22 THR A 60 -6.482 -5.885 -11.560 1.00 10.00 H new ATOM 0 HG23 THR A 60 -7.255 -4.656 -10.531 1.00 10.00 H new ATOM 900 N ASP A 61 -3.052 -5.838 -11.666 1.00 10.00 N ATOM 901 CA ASP A 61 -2.363 -7.095 -11.925 1.00 10.00 C ATOM 902 C ASP A 61 -1.107 -7.219 -11.035 1.00 10.00 C ATOM 903 O ASP A 61 -0.002 -7.376 -11.533 1.00 10.00 O ATOM 904 CB ASP A 61 -2.053 -7.133 -13.434 1.00 10.00 C ATOM 905 CG ASP A 61 -1.559 -8.491 -13.916 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.005 -9.500 -13.329 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.785 -8.493 -14.896 1.00 10.00 O ATOM 0 H ASP A 61 -2.860 -5.121 -12.366 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.979 -7.957 -11.669 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.952 -6.864 -13.989 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.300 -6.379 -13.662 1.00 10.00 H new ATOM 912 N CYS A 62 -1.256 -7.082 -9.710 1.00 10.00 N ATOM 913 CA CYS A 62 -0.146 -7.071 -8.751 1.00 10.00 C ATOM 914 C CYS A 62 -0.200 -8.338 -7.880 1.00 10.00 C ATOM 915 O CYS A 62 -1.201 -8.586 -7.211 1.00 10.00 O ATOM 916 CB CYS A 62 -0.172 -5.795 -7.884 1.00 10.00 C ATOM 917 SG CYS A 62 -1.140 -4.385 -8.480 1.00 10.00 S ATOM 0 H CYS A 62 -2.169 -6.974 -9.268 1.00 10.00 H new ATOM 0 HA CYS A 62 0.794 -7.066 -9.302 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.550 -6.068 -6.899 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.857 -5.461 -7.749 1.00 10.00 H new ATOM 922 N THR A 63 0.858 -9.148 -7.887 1.00 10.00 N ATOM 923 CA THR A 63 0.903 -10.444 -7.205 1.00 10.00 C ATOM 924 C THR A 63 1.200 -10.256 -5.711 1.00 10.00 C ATOM 925 O THR A 63 1.923 -9.328 -5.362 1.00 10.00 O ATOM 926 CB THR A 63 2.004 -11.280 -7.877 1.00 10.00 C ATOM 927 OG1 THR A 63 1.891 -11.176 -9.281 1.00 10.00 O ATOM 928 CG2 THR A 63 1.915 -12.762 -7.517 1.00 10.00 C ATOM 0 H THR A 63 1.724 -8.919 -8.375 1.00 10.00 H new ATOM 0 HA THR A 63 -0.059 -10.951 -7.282 1.00 10.00 H new ATOM 0 HB THR A 63 2.956 -10.887 -7.519 1.00 10.00 H new ATOM 0 HG1 THR A 63 2.595 -11.709 -9.706 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.715 -13.307 -8.018 1.00 10.00 H new ATOM 0 HG22 THR A 63 2.015 -12.881 -6.438 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.951 -13.157 -7.838 1.00 10.00 H new ATOM 936 N ASP A 64 0.709 -11.124 -4.812 1.00 10.00 N ATOM 937 CA ASP A 64 0.954 -11.023 -3.369 1.00 10.00 C ATOM 938 C ASP A 64 2.449 -10.826 -3.034 1.00 10.00 C ATOM 939 O ASP A 64 2.795 -10.012 -2.178 1.00 10.00 O ATOM 940 CB ASP A 64 0.332 -12.242 -2.655 1.00 10.00 C ATOM 941 CG ASP A 64 -1.062 -12.017 -2.047 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.676 -10.970 -2.342 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.506 -12.892 -1.267 1.00 10.00 O ATOM 0 H ASP A 64 0.127 -11.921 -5.071 1.00 10.00 H new ATOM 0 HA ASP A 64 0.465 -10.124 -2.995 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.269 -13.065 -3.367 1.00 10.00 H new ATOM 0 HB3 ASP A 64 1.008 -12.559 -1.861 1.00 10.00 H new ATOM 948 N GLU A 65 3.350 -11.520 -3.738 1.00 10.00 N ATOM 949 CA GLU A 65 4.791 -11.320 -3.610 1.00 10.00 C ATOM 950 C GLU A 65 5.235 -9.861 -3.855 1.00 10.00 C ATOM 951 O GLU A 65 6.068 -9.370 -3.097 1.00 10.00 O ATOM 952 CB GLU A 65 5.532 -12.358 -4.466 1.00 10.00 C ATOM 953 CG GLU A 65 5.362 -12.133 -5.975 1.00 10.00 C ATOM 954 CD GLU A 65 5.737 -13.372 -6.779 1.00 10.00 C ATOM 955 OE1 GLU A 65 4.849 -14.244 -6.892 1.00 10.00 O ATOM 956 OE2 GLU A 65 6.896 -13.438 -7.237 1.00 10.00 O ATOM 0 H GLU A 65 3.095 -12.239 -4.415 1.00 10.00 H new ATOM 0 HA GLU A 65 5.071 -11.491 -2.571 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.593 -12.332 -4.219 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.170 -13.354 -4.211 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.328 -11.861 -6.188 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.983 -11.294 -6.289 1.00 10.00 H new ATOM 963 N ASP A 66 4.637 -9.150 -4.825 1.00 10.00 N ATOM 964 CA ASP A 66 4.917 -7.745 -5.127 1.00 10.00 C ATOM 965 C ASP A 66 4.096 -6.800 -4.222 1.00 10.00 C ATOM 966 O ASP A 66 4.593 -5.777 -3.750 1.00 10.00 O ATOM 967 CB ASP A 66 4.657 -7.505 -6.632 1.00 10.00 C ATOM 968 CG ASP A 66 5.783 -7.945 -7.551 1.00 10.00 C ATOM 969 OD1 ASP A 66 6.811 -8.432 -7.039 1.00 10.00 O ATOM 970 OD2 ASP A 66 5.583 -7.747 -8.766 1.00 10.00 O ATOM 0 H ASP A 66 3.926 -9.552 -5.436 1.00 10.00 H new ATOM 0 HA ASP A 66 5.962 -7.519 -4.914 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.747 -8.032 -6.918 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.473 -6.442 -6.790 1.00 10.00 H new ATOM 975 N TYR A 67 2.838 -7.140 -3.924 1.00 10.00 N ATOM 976 CA TYR A 67 1.979 -6.349 -3.049 1.00 10.00 C ATOM 977 C TYR A 67 2.539 -6.284 -1.625 1.00 10.00 C ATOM 978 O TYR A 67 2.743 -5.209 -1.060 1.00 10.00 O ATOM 979 CB TYR A 67 0.581 -6.987 -3.012 1.00 10.00 C ATOM 980 CG TYR A 67 -0.502 -6.336 -3.843 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.665 -4.939 -3.842 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.454 -7.150 -4.487 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.664 -4.355 -4.636 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.511 -6.563 -5.200 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.588 -5.170 -5.304 1.00 10.00 C ATOM 986 OH TYR A 67 -3.510 -4.612 -6.121 1.00 10.00 O ATOM 0 H TYR A 67 2.387 -7.979 -4.288 1.00 10.00 H new ATOM 0 HA TYR A 67 1.929 -5.334 -3.442 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.675 -8.024 -3.334 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.246 -7.004 -1.975 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.024 -4.319 -3.233 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.371 -8.225 -4.432 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.721 -3.281 -4.732 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.262 -7.184 -5.666 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.097 -4.402 -6.985 1.00 10.00 H new ATOM 996 N LYS A 68 2.780 -7.457 -1.036 1.00 10.00 N ATOM 997 CA LYS A 68 3.220 -7.566 0.342 1.00 10.00 C ATOM 998 C LYS A 68 4.587 -6.907 0.441 1.00 10.00 C ATOM 999 O LYS A 68 4.773 -6.038 1.272 1.00 10.00 O ATOM 1000 CB LYS A 68 3.182 -9.014 0.873 1.00 10.00 C ATOM 1001 CG LYS A 68 4.535 -9.736 0.808 1.00 10.00 C ATOM 1002 CD LYS A 68 4.467 -11.157 1.368 1.00 10.00 C ATOM 1003 CE LYS A 68 5.892 -11.646 1.691 1.00 10.00 C ATOM 1004 NZ LYS A 68 6.196 -12.930 1.032 1.00 10.00 N ATOM 0 H LYS A 68 2.673 -8.355 -1.508 1.00 10.00 H new ATOM 0 HA LYS A 68 2.526 -7.043 1.000 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.837 -9.003 1.907 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.450 -9.582 0.299 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.874 -9.773 -0.227 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.276 -9.164 1.366 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.851 -11.177 2.267 1.00 10.00 H new ATOM 0 HD3 LYS A 68 3.997 -11.823 0.645 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.614 -10.895 1.372 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.002 -11.757 2.770 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 7.164 -13.224 1.275 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 5.523 -13.654 1.355 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 6.116 -12.819 0.001 1.00 10.00 H new ATOM 1018 N ALA A 69 5.514 -7.248 -0.461 1.00 10.00 N ATOM 1019 CA ALA A 69 6.833 -6.638 -0.504 1.00 10.00 C ATOM 1020 C ALA A 69 6.766 -5.107 -0.586 1.00 10.00 C ATOM 1021 O ALA A 69 7.632 -4.436 -0.038 1.00 10.00 O ATOM 1022 CB ALA A 69 7.631 -7.245 -1.652 1.00 10.00 C ATOM 0 H ALA A 69 5.363 -7.956 -1.179 1.00 10.00 H new ATOM 0 HA ALA A 69 7.348 -6.855 0.432 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.621 -6.790 -1.688 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.731 -8.319 -1.498 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.113 -7.060 -2.593 1.00 10.00 H new ATOM 1028 N ALA A 70 5.739 -4.532 -1.220 1.00 10.00 N ATOM 1029 CA ALA A 70 5.590 -3.070 -1.274 1.00 10.00 C ATOM 1030 C ALA A 70 5.262 -2.508 0.107 1.00 10.00 C ATOM 1031 O ALA A 70 5.916 -1.595 0.611 1.00 10.00 O ATOM 1032 CB ALA A 70 4.538 -2.693 -2.321 1.00 10.00 C ATOM 0 H ALA A 70 5.003 -5.050 -1.700 1.00 10.00 H new ATOM 0 HA ALA A 70 6.536 -2.621 -1.578 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.432 -1.609 -2.356 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.850 -3.059 -3.299 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.582 -3.142 -2.054 1.00 10.00 H new ATOM 1038 N ILE A 71 4.262 -3.112 0.733 1.00 10.00 N ATOM 1039 CA ILE A 71 3.827 -2.799 2.086 1.00 10.00 C ATOM 1040 C ILE A 71 4.958 -3.032 3.120 1.00 10.00 C ATOM 1041 O ILE A 71 5.210 -2.210 4.004 1.00 10.00 O ATOM 1042 CB ILE A 71 2.521 -3.590 2.298 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.421 -2.975 1.407 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.222 -3.777 3.787 1.00 10.00 C ATOM 1045 CD1 ILE A 71 -0.002 -3.438 1.724 1.00 10.00 C ATOM 0 H ILE A 71 3.715 -3.856 0.300 1.00 10.00 H new ATOM 0 HA ILE A 71 3.609 -1.742 2.237 1.00 10.00 H new ATOM 0 HB ILE A 71 2.601 -4.623 1.960 1.00 10.00 H new ATOM 0 HG12 ILE A 71 1.463 -1.890 1.501 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.641 -3.214 0.367 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.295 -4.338 3.904 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.039 -4.324 4.256 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.118 -2.802 4.263 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.703 -2.951 1.046 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -0.069 -4.519 1.601 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.250 -3.174 2.752 1.00 10.00 H new ATOM 1057 N GLU A 72 5.691 -4.133 2.958 1.00 10.00 N ATOM 1058 CA GLU A 72 6.866 -4.519 3.735 1.00 10.00 C ATOM 1059 C GLU A 72 8.041 -3.555 3.534 1.00 10.00 C ATOM 1060 O GLU A 72 8.665 -3.146 4.511 1.00 10.00 O ATOM 1061 CB GLU A 72 7.239 -5.994 3.506 1.00 10.00 C ATOM 1062 CG GLU A 72 6.196 -6.976 4.080 1.00 10.00 C ATOM 1063 CD GLU A 72 6.703 -8.415 4.136 1.00 10.00 C ATOM 1064 OE1 GLU A 72 6.938 -8.992 3.053 1.00 10.00 O ATOM 1065 OE2 GLU A 72 6.849 -8.915 5.272 1.00 10.00 O ATOM 0 H GLU A 72 5.466 -4.819 2.238 1.00 10.00 H new ATOM 0 HA GLU A 72 6.601 -4.434 4.789 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.349 -6.173 2.436 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.208 -6.193 3.964 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.916 -6.655 5.083 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.294 -6.937 3.470 1.00 10.00 H new ATOM 1072 N PHE A 73 8.316 -3.146 2.292 1.00 10.00 N ATOM 1073 CA PHE A 73 9.335 -2.140 1.997 1.00 10.00 C ATOM 1074 C PHE A 73 9.107 -0.820 2.761 1.00 10.00 C ATOM 1075 O PHE A 73 10.067 -0.175 3.177 1.00 10.00 O ATOM 1076 CB PHE A 73 9.408 -1.917 0.480 1.00 10.00 C ATOM 1077 CG PHE A 73 10.510 -0.973 0.046 1.00 10.00 C ATOM 1078 CD1 PHE A 73 11.836 -1.439 -0.031 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.218 0.365 -0.279 1.00 10.00 C ATOM 1080 CE1 PHE A 73 12.860 -0.580 -0.465 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.244 1.225 -0.709 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.563 0.748 -0.814 1.00 10.00 C ATOM 0 H PHE A 73 7.838 -3.504 1.465 1.00 10.00 H new ATOM 0 HA PHE A 73 10.296 -2.517 2.348 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.554 -2.879 -0.011 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.451 -1.525 0.135 1.00 10.00 H new ATOM 0 HD1 PHE A 73 12.067 -2.458 0.244 1.00 10.00 H new ATOM 0 HD2 PHE A 73 9.205 0.731 -0.198 1.00 10.00 H new ATOM 0 HE1 PHE A 73 13.876 -0.941 -0.530 1.00 10.00 H new ATOM 0 HE2 PHE A 73 11.019 2.251 -0.959 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.348 1.403 -1.163 1.00 10.00 H new ATOM 1092 N MET A 74 7.844 -0.417 2.955 1.00 10.00 N ATOM 1093 CA MET A 74 7.492 0.812 3.667 1.00 10.00 C ATOM 1094 C MET A 74 7.625 0.681 5.199 1.00 10.00 C ATOM 1095 O MET A 74 8.587 1.172 5.783 1.00 10.00 O ATOM 1096 CB MET A 74 6.082 1.248 3.246 1.00 10.00 C ATOM 1097 CG MET A 74 6.044 1.738 1.784 1.00 10.00 C ATOM 1098 SD MET A 74 4.506 2.514 1.186 1.00 10.00 S ATOM 1099 CE MET A 74 3.533 1.149 0.502 1.00 10.00 C ATOM 0 H MET A 74 7.035 -0.940 2.619 1.00 10.00 H new ATOM 0 HA MET A 74 8.207 1.586 3.387 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.392 0.413 3.367 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.736 2.045 3.905 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.854 2.454 1.650 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.262 0.886 1.140 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.338 1.335 -0.554 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.088 0.217 0.610 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.587 1.073 1.038 1.00 10.00 H new ATOM 1109 N SER A 75 6.646 0.060 5.869 1.00 10.00 N ATOM 1110 CA SER A 75 6.724 -0.213 7.311 1.00 10.00 C ATOM 1111 C SER A 75 5.911 -1.459 7.682 1.00 10.00 C ATOM 1112 O SER A 75 5.289 -1.509 8.738 1.00 10.00 O ATOM 1113 CB SER A 75 6.320 1.021 8.139 1.00 10.00 C ATOM 1114 OG SER A 75 6.866 0.955 9.445 1.00 10.00 O ATOM 0 H SER A 75 5.784 -0.265 5.432 1.00 10.00 H new ATOM 0 HA SER A 75 7.764 -0.427 7.559 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.666 1.927 7.641 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.233 1.085 8.198 1.00 10.00 H new ATOM 0 HG SER A 75 6.601 0.112 9.868 1.00 10.00 H new ATOM 1120 N LYS A 76 5.921 -2.473 6.805 1.00 10.00 N ATOM 1121 CA LYS A 76 5.338 -3.794 7.030 1.00 10.00 C ATOM 1122 C LYS A 76 3.997 -3.752 7.770 1.00 10.00 C ATOM 1123 O LYS A 76 3.821 -4.373 8.818 1.00 10.00 O ATOM 1124 CB LYS A 76 6.397 -4.760 7.605 1.00 10.00 C ATOM 1125 CG LYS A 76 7.413 -4.106 8.556 1.00 10.00 C ATOM 1126 CD LYS A 76 8.430 -5.128 9.082 1.00 10.00 C ATOM 1127 CE LYS A 76 7.839 -5.948 10.234 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.772 -7.002 10.679 1.00 10.00 N ATOM 0 H LYS A 76 6.353 -2.387 5.885 1.00 10.00 H new ATOM 0 HA LYS A 76 5.050 -4.214 6.066 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.886 -5.563 8.137 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.938 -5.219 6.777 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.937 -3.305 8.035 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.887 -3.650 9.395 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.732 -5.794 8.274 1.00 10.00 H new ATOM 0 HD3 LYS A 76 9.328 -4.611 9.422 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.607 -5.289 11.070 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.900 -6.402 9.916 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 8.343 -7.539 11.459 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.974 -7.644 9.886 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.658 -6.566 11.005 1.00 10.00 H new ATOM 1142 N ALA A 77 3.041 -3.030 7.170 1.00 10.00 N ATOM 1143 CA ALA A 77 1.687 -2.908 7.693 1.00 10.00 C ATOM 1144 C ALA A 77 0.641 -2.582 6.613 1.00 10.00 C ATOM 1145 O ALA A 77 -0.138 -3.446 6.222 1.00 10.00 O ATOM 1146 CB ALA A 77 1.687 -1.903 8.847 1.00 10.00 C ATOM 0 H ALA A 77 3.193 -2.514 6.304 1.00 10.00 H new ATOM 0 HA ALA A 77 1.377 -3.881 8.074 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.677 -1.806 9.245 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.355 -2.253 9.634 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.030 -0.934 8.485 1.00 10.00 H new ATOM 1152 N LYS A 78 0.614 -1.325 6.166 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.401 -0.750 5.282 1.00 10.00 C ATOM 1154 C LYS A 78 0.178 -0.259 3.940 1.00 10.00 C ATOM 1155 O LYS A 78 -0.324 0.751 3.395 1.00 10.00 O ATOM 1156 CB LYS A 78 -1.109 0.367 6.059 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.244 1.623 6.221 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.980 2.816 5.606 1.00 10.00 C ATOM 1159 CE LYS A 78 -0.139 4.079 5.763 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.663 4.372 4.549 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.145 -0.885 3.476 1.00 10.00 O ATOM 0 H LYS A 78 1.333 -0.649 6.423 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.117 -1.521 4.999 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -2.032 0.632 5.544 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.389 -0.004 7.045 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.042 1.808 7.276 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.720 1.482 5.732 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.177 2.628 4.551 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.946 2.949 6.092 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.793 4.925 5.978 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.527 3.966 6.618 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.944 5.373 4.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.514 3.774 4.542 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.094 4.174 3.701 1.00 10.00 H new