USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0.0571 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.754 K(o=0.81,f=-0.9) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -120:sc= 1.29 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.821 USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.0873) USER MOD Single : A 1 MET N :NH3+ 156:sc= 2.24 (180deg=2.05) USER MOD Single : A 2 GLN : amide:sc= 0.534 K(o=0.53,f=-0.22) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 2.37 (180deg=0.794) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.18 (180deg=0.923) USER MOD Single : A 31 GLN : amide:sc= -0.271 K(o=-0.27,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 0.648 K(o=0.65,f=-0.78) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.4) USER MOD Single : A 55 THR OG1 : rot -46:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.194 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0768 K(o=-0.077,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.326 -6.949 -5.007 1.00 9.67 N ATOM 2 CA MET A 1 11.422 -7.477 -3.625 1.00 10.38 C ATOM 3 C MET A 1 10.041 -7.645 -2.950 1.00 9.62 C ATOM 4 O MET A 1 9.088 -7.059 -3.464 1.00 9.62 O ATOM 5 CB MET A 1 12.287 -6.513 -2.757 1.00 13.77 C ATOM 6 CG MET A 1 11.590 -5.116 -2.535 1.00 16.29 C ATOM 7 SD MET A 1 12.560 -4.094 -1.399 1.00 17.17 S ATOM 8 CE MET A 1 11.208 -2.832 -1.252 1.00 16.11 C ATOM 0 H1 MET A 1 12.219 -6.482 -5.263 1.00 9.67 H new ATOM 0 H2 MET A 1 11.144 -7.733 -5.666 1.00 9.67 H new ATOM 0 H3 MET A 1 10.547 -6.262 -5.063 1.00 9.67 H new ATOM 0 HA MET A 1 11.881 -8.463 -3.695 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.483 -6.976 -1.790 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.253 -6.362 -3.239 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.479 -4.603 -3.490 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.587 -5.263 -2.134 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.629 -1.886 -0.910 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.737 -2.689 -2.224 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.463 -3.178 -0.535 1.00 16.11 H new ATOM 20 N GLN A 2 9.966 -8.524 -1.919 1.00 9.27 N ATOM 21 CA GLN A 2 8.761 -8.850 -1.246 1.00 9.07 C ATOM 22 C GLN A 2 8.341 -7.809 -0.125 1.00 8.72 C ATOM 23 O GLN A 2 9.151 -7.274 0.623 1.00 8.22 O ATOM 24 CB GLN A 2 8.878 -10.260 -0.681 1.00 14.46 C ATOM 25 CG GLN A 2 8.116 -11.373 -1.404 1.00 17.01 C ATOM 26 CD GLN A 2 8.438 -11.287 -2.899 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.390 -12.019 -3.280 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.687 -10.506 -3.687 1.00 19.49 N ATOM 0 H GLN A 2 10.780 -9.017 -1.552 1.00 9.27 H new ATOM 0 HA GLN A 2 7.956 -8.802 -1.979 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.934 -10.530 -0.665 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.539 -10.237 0.355 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.404 -12.348 -1.010 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.044 -11.267 -1.240 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.935 -9.947 -3.284 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.867 -10.470 -4.690 1.00 19.49 H new ATOM 37 N ILE A 3 7.061 -7.560 0.037 1.00 5.87 N ATOM 38 CA ILE A 3 6.464 -6.871 1.111 1.00 5.07 C ATOM 39 C ILE A 3 5.166 -7.532 1.452 1.00 4.01 C ATOM 40 O ILE A 3 4.608 -8.277 0.607 1.00 4.61 O ATOM 41 CB ILE A 3 6.155 -5.360 0.932 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.060 -5.044 -0.142 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.543 -4.665 0.702 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.519 -3.620 -0.139 1.00 10.83 C ATOM 0 H ILE A 3 6.371 -7.869 -0.648 1.00 5.87 H new ATOM 0 HA ILE A 3 7.230 -6.921 1.885 1.00 5.07 H new ATOM 0 HB ILE A 3 5.678 -4.952 1.823 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.475 -5.253 -1.128 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.226 -5.730 0.005 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.396 -3.593 0.568 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.184 -4.838 1.566 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.015 -5.080 -0.189 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.768 -3.514 -0.922 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.066 -3.405 0.829 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.335 -2.920 -0.322 1.00 10.83 H new ATOM 56 N PHE A 4 4.631 -7.257 2.638 1.00 4.55 N ATOM 57 CA PHE A 4 3.405 -7.804 3.106 1.00 4.68 C ATOM 58 C PHE A 4 2.389 -6.690 3.386 1.00 5.30 C ATOM 59 O PHE A 4 2.703 -5.644 3.989 1.00 5.58 O ATOM 60 CB PHE A 4 3.633 -8.518 4.423 1.00 4.83 C ATOM 61 CG PHE A 4 4.752 -9.548 4.312 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.658 -10.693 3.469 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.851 -9.382 5.127 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.740 -11.585 3.406 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.948 -10.249 5.025 1.00 10.61 C ATOM 66 CZ PHE A 4 6.949 -11.352 4.145 1.00 8.90 C ATOM 0 H PHE A 4 5.070 -6.624 3.306 1.00 4.55 H new ATOM 0 HA PHE A 4 3.033 -8.483 2.339 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.882 -7.790 5.195 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.712 -9.011 4.735 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.766 -10.872 2.886 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.867 -8.579 5.849 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.661 -12.467 2.787 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.818 -10.067 5.638 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.814 -11.988 4.033 1.00 8.90 H new ATOM 76 N VAL A 5 1.157 -6.783 2.945 1.00 4.44 N ATOM 77 CA VAL A 5 0.174 -5.716 3.243 1.00 3.87 C ATOM 78 C VAL A 5 -0.900 -6.311 4.103 1.00 4.93 C ATOM 79 O VAL A 5 -1.399 -7.401 3.766 1.00 6.84 O ATOM 80 CB VAL A 5 -0.435 -4.996 2.076 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.227 -3.759 2.543 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.772 -4.471 1.220 1.00 9.13 C ATOM 0 H VAL A 5 0.797 -7.559 2.390 1.00 4.44 H new ATOM 0 HA VAL A 5 0.740 -4.930 3.743 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.105 -5.662 1.533 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.658 -3.255 1.678 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.025 -4.071 3.216 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.558 -3.075 3.065 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.395 -3.934 0.350 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.382 -3.799 1.824 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.379 -5.315 0.891 1.00 9.13 H new ATOM 92 N LYS A 6 -1.155 -5.763 5.285 1.00 6.04 N ATOM 93 CA LYS A 6 -2.158 -6.380 6.207 1.00 6.12 C ATOM 94 C LYS A 6 -3.550 -5.672 6.169 1.00 6.57 C ATOM 95 O LYS A 6 -3.653 -4.486 6.411 1.00 5.76 O ATOM 96 CB LYS A 6 -1.738 -6.282 7.643 1.00 7.45 C ATOM 97 CG LYS A 6 -2.489 -7.168 8.612 1.00 11.12 C ATOM 98 CD LYS A 6 -2.307 -8.688 8.414 1.00 14.54 C ATOM 99 CE LYS A 6 -3.023 -9.445 9.517 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.899 -10.850 9.307 1.00 20.55 N ATOM 0 H LYS A 6 -0.707 -4.918 5.639 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.224 -7.410 5.856 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.677 -6.522 7.708 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.851 -5.247 7.965 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.177 -6.913 9.625 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.551 -6.936 8.538 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.701 -8.986 7.442 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.246 -8.939 8.419 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.602 -9.176 10.486 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -4.076 -9.164 9.537 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.845 -11.270 9.202 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.345 -11.025 8.444 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.417 -11.281 10.121 1.00 20.55 H new ATOM 114 N THR A 7 -4.548 -6.492 5.836 1.00 7.41 N ATOM 115 CA THR A 7 -5.822 -5.876 5.472 1.00 7.48 C ATOM 116 C THR A 7 -6.873 -6.008 6.558 1.00 8.75 C ATOM 117 O THR A 7 -6.704 -6.789 7.449 1.00 8.58 O ATOM 118 CB THR A 7 -6.424 -6.297 4.091 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.636 -5.577 3.699 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.674 -7.827 4.093 1.00 9.17 C ATOM 0 H THR A 7 -4.510 -7.511 5.810 1.00 7.41 H new ATOM 0 HA THR A 7 -5.545 -4.828 5.361 1.00 7.48 H new ATOM 0 HB THR A 7 -5.685 -6.021 3.338 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.941 -5.901 2.826 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.094 -8.128 3.133 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.732 -8.349 4.257 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.373 -8.080 4.890 1.00 9.17 H new ATOM 128 N LEU A 8 -7.928 -5.262 6.483 1.00 9.84 N ATOM 129 CA LEU A 8 -8.933 -4.882 7.475 1.00 14.15 C ATOM 130 C LEU A 8 -9.722 -6.034 8.091 1.00 17.37 C ATOM 131 O LEU A 8 -9.967 -6.158 9.277 1.00 17.01 O ATOM 132 CB LEU A 8 -9.998 -3.876 7.023 1.00 16.63 C ATOM 133 CG LEU A 8 -9.473 -2.494 6.855 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.620 -1.481 6.597 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.617 -1.989 8.003 1.00 18.59 C ATOM 0 H LEU A 8 -8.155 -4.828 5.588 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.263 -4.424 8.203 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.426 -4.211 6.078 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.808 -3.863 7.753 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.819 -2.564 5.986 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.203 -0.481 6.479 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.155 -1.761 5.689 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.309 -1.489 7.441 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.282 -0.974 7.788 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.203 -1.990 8.922 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.751 -2.639 8.124 1.00 18.59 H new ATOM 147 N THR A 9 -10.063 -7.015 7.199 1.00 18.33 N ATOM 148 CA THR A 9 -10.716 -8.219 7.593 1.00 19.24 C ATOM 149 C THR A 9 -9.760 -9.354 7.921 1.00 19.48 C ATOM 150 O THR A 9 -10.265 -10.451 8.231 1.00 23.14 O ATOM 151 CB THR A 9 -11.617 -8.766 6.431 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.813 -9.129 5.260 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.584 -7.595 6.076 1.00 19.70 C ATOM 0 H THR A 9 -9.876 -6.954 6.198 1.00 18.33 H new ATOM 0 HA THR A 9 -11.284 -7.941 8.481 1.00 19.24 H new ATOM 0 HB THR A 9 -12.149 -9.668 6.733 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.400 -9.468 4.552 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.248 -7.903 5.268 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.177 -7.334 6.953 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.004 -6.728 5.759 1.00 19.70 H new ATOM 161 N GLY A 10 -8.433 -9.023 8.022 1.00 19.43 N ATOM 162 CA GLY A 10 -7.476 -9.837 8.666 1.00 18.74 C ATOM 163 C GLY A 10 -6.664 -10.675 7.808 1.00 17.62 C ATOM 164 O GLY A 10 -5.729 -11.320 8.322 1.00 19.74 O ATOM 0 H GLY A 10 -8.044 -8.162 7.637 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.812 -9.193 9.243 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.996 -10.478 9.378 1.00 18.74 H new ATOM 168 N LYS A 11 -6.886 -10.602 6.489 1.00 13.56 N ATOM 169 CA LYS A 11 -6.023 -11.401 5.612 1.00 11.91 C ATOM 170 C LYS A 11 -4.677 -10.685 5.485 1.00 10.18 C ATOM 171 O LYS A 11 -4.510 -9.545 5.847 1.00 9.10 O ATOM 172 CB LYS A 11 -6.704 -11.551 4.241 1.00 13.43 C ATOM 173 CG LYS A 11 -8.155 -11.953 4.260 1.00 16.69 C ATOM 174 CD LYS A 11 -8.879 -12.052 2.844 1.00 17.92 C ATOM 175 CE LYS A 11 -8.941 -10.716 2.113 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.657 -11.020 0.834 1.00 21.93 N ATOM 0 H LYS A 11 -7.603 -10.040 6.030 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.858 -12.397 6.022 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.618 -10.603 3.710 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.151 -12.291 3.663 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -8.235 -12.921 4.754 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.701 -11.236 4.874 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.352 -12.776 2.222 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.892 -12.430 2.985 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.475 -9.968 2.699 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.943 -10.320 1.925 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.743 -10.151 0.269 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.121 -11.731 0.297 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.606 -11.389 1.047 1.00 21.93 H new ATOM 190 N THR A 12 -3.704 -11.361 4.857 1.00 9.63 N ATOM 191 CA THR A 12 -2.369 -10.778 4.593 1.00 9.85 C ATOM 192 C THR A 12 -2.052 -10.958 3.104 1.00 11.66 C ATOM 193 O THR A 12 -2.286 -12.028 2.509 1.00 12.33 O ATOM 194 CB THR A 12 -1.317 -11.516 5.389 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.588 -11.503 6.814 1.00 10.91 O ATOM 196 CG2 THR A 12 0.064 -10.893 5.226 1.00 9.63 C ATOM 0 H THR A 12 -3.812 -12.317 4.519 1.00 9.63 H new ATOM 0 HA THR A 12 -2.370 -9.725 4.874 1.00 9.85 H new ATOM 0 HB THR A 12 -1.343 -12.533 4.998 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.883 -11.993 7.286 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.789 -11.455 5.815 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.353 -10.918 4.175 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.040 -9.859 5.571 1.00 9.63 H new ATOM 204 N ILE A 13 -1.514 -9.915 2.460 1.00 10.42 N ATOM 205 CA ILE A 13 -1.422 -9.812 1.042 1.00 11.84 C ATOM 206 C ILE A 13 0.006 -9.515 0.639 1.00 10.55 C ATOM 207 O ILE A 13 0.486 -8.393 0.759 1.00 11.92 O ATOM 208 CB ILE A 13 -2.193 -8.583 0.498 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.617 -8.572 1.119 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.201 -8.667 -0.993 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.515 -7.455 0.608 1.00 16.46 C ATOM 0 H ILE A 13 -1.126 -9.108 2.948 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.813 -10.753 0.654 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.719 -7.641 0.775 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.097 -9.529 0.916 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.528 -8.484 2.202 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.739 -7.812 -1.403 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.176 -8.662 -1.363 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.694 -9.588 -1.303 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.489 -7.521 1.093 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.061 -6.490 0.835 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.639 -7.552 -0.471 1.00 16.46 H new ATOM 223 N THR A 14 0.642 -10.567 0.152 1.00 9.39 N ATOM 224 CA THR A 14 2.096 -10.459 -0.201 1.00 9.63 C ATOM 225 C THR A 14 2.205 -9.901 -1.503 1.00 11.20 C ATOM 226 O THR A 14 1.423 -10.258 -2.383 1.00 11.63 O ATOM 227 CB THR A 14 2.766 -11.848 -0.194 1.00 10.38 C ATOM 228 OG1 THR A 14 2.249 -12.538 0.900 1.00 16.30 O ATOM 229 CG2 THR A 14 4.256 -11.749 -0.091 1.00 11.66 C ATOM 0 H THR A 14 0.220 -11.481 -0.012 1.00 9.39 H new ATOM 0 HA THR A 14 2.594 -9.828 0.535 1.00 9.63 H new ATOM 0 HB THR A 14 2.557 -12.367 -1.129 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.649 -13.432 0.942 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.688 -12.750 -0.089 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.643 -11.188 -0.942 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.524 -11.237 0.833 1.00 11.66 H new ATOM 237 N LEU A 15 3.135 -8.958 -1.737 1.00 8.29 N ATOM 238 CA LEU A 15 3.221 -8.324 -3.019 1.00 9.03 C ATOM 239 C LEU A 15 4.682 -8.385 -3.574 1.00 8.59 C ATOM 240 O LEU A 15 5.648 -8.399 -2.813 1.00 7.79 O ATOM 241 CB LEU A 15 2.782 -6.834 -2.928 1.00 11.08 C ATOM 242 CG LEU A 15 1.291 -6.581 -2.483 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.002 -5.096 -2.154 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.382 -7.121 -3.476 1.00 15.27 C ATOM 0 H LEU A 15 3.819 -8.637 -1.051 1.00 8.29 H new ATOM 0 HA LEU A 15 2.554 -8.861 -3.693 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.442 -6.323 -2.227 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.933 -6.371 -3.903 1.00 11.08 H new ATOM 0 HG LEU A 15 1.126 -7.111 -1.545 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.040 -4.986 -1.854 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.650 -4.771 -1.340 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.192 -4.484 -3.036 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.647 -6.943 -3.163 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.559 -6.633 -4.435 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.550 -8.193 -3.578 1.00 15.27 H new ATOM 256 N GLU A 16 4.838 -8.248 -4.940 1.00 11.04 N ATOM 257 CA GLU A 16 6.120 -8.009 -5.529 1.00 11.50 C ATOM 258 C GLU A 16 6.073 -6.537 -5.754 1.00 10.13 C ATOM 259 O GLU A 16 5.210 -6.043 -6.493 1.00 9.83 O ATOM 260 CB GLU A 16 6.429 -8.893 -6.846 1.00 17.22 C ATOM 261 CG GLU A 16 7.827 -8.473 -7.463 1.00 23.33 C ATOM 262 CD GLU A 16 8.960 -9.069 -6.677 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.838 -10.224 -6.232 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.106 -8.496 -6.671 1.00 28.86 O ATOM 0 H GLU A 16 4.071 -8.306 -5.610 1.00 11.04 H new ATOM 0 HA GLU A 16 6.955 -8.320 -4.901 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.439 -9.952 -6.589 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.639 -8.751 -7.583 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.885 -8.803 -8.500 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.915 -7.387 -7.469 1.00 23.33 H new ATOM 271 N VAL A 17 7.054 -5.759 -5.152 1.00 8.99 N ATOM 272 CA VAL A 17 7.327 -4.367 -5.293 1.00 8.85 C ATOM 273 C VAL A 17 8.815 -4.190 -5.649 1.00 8.04 C ATOM 274 O VAL A 17 9.644 -5.016 -5.319 1.00 8.99 O ATOM 275 CB VAL A 17 6.920 -3.487 -4.042 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.385 -3.539 -3.896 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.622 -4.003 -2.735 1.00 10.54 C ATOM 0 H VAL A 17 7.711 -6.188 -4.500 1.00 8.99 H new ATOM 0 HA VAL A 17 6.694 -3.993 -6.098 1.00 8.85 H new ATOM 0 HB VAL A 17 7.246 -2.458 -4.195 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.081 -2.939 -3.039 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.920 -3.144 -4.799 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.068 -4.571 -3.747 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.324 -3.380 -1.892 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.326 -5.035 -2.546 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.704 -3.953 -2.859 1.00 10.54 H new ATOM 287 N GLU A 18 9.122 -3.004 -6.210 1.00 7.29 N ATOM 288 CA GLU A 18 10.522 -2.583 -6.325 1.00 7.08 C ATOM 289 C GLU A 18 10.641 -1.147 -5.718 1.00 6.45 C ATOM 290 O GLU A 18 9.641 -0.430 -5.755 1.00 5.28 O ATOM 291 CB GLU A 18 11.210 -2.759 -7.750 1.00 10.28 C ATOM 292 CG GLU A 18 10.431 -1.968 -8.816 1.00 12.65 C ATOM 293 CD GLU A 18 11.164 -1.876 -10.141 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.264 -1.211 -10.186 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.613 -2.319 -11.219 1.00 18.17 O ATOM 0 H GLU A 18 8.439 -2.342 -6.579 1.00 7.29 H new ATOM 0 HA GLU A 18 11.124 -3.285 -5.748 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.242 -2.410 -7.710 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.240 -3.815 -8.020 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.462 -2.441 -8.975 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.237 -0.962 -8.444 1.00 12.65 H new ATOM 302 N PRO A 19 11.823 -0.638 -5.193 1.00 7.24 N ATOM 303 CA PRO A 19 12.038 0.697 -4.625 1.00 7.07 C ATOM 304 C PRO A 19 11.587 1.882 -5.410 1.00 6.65 C ATOM 305 O PRO A 19 11.172 2.921 -4.831 1.00 6.37 O ATOM 306 CB PRO A 19 13.535 0.654 -4.297 1.00 7.61 C ATOM 307 CG PRO A 19 13.840 -0.767 -4.029 1.00 8.16 C ATOM 308 CD PRO A 19 12.958 -1.498 -5.003 1.00 7.49 C ATOM 0 HA PRO A 19 11.391 0.873 -3.766 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.130 1.033 -5.128 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.765 1.275 -3.431 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.894 -0.991 -4.194 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.614 -1.040 -2.998 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.476 -1.682 -5.944 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.656 -2.469 -4.611 1.00 7.49 H new ATOM 316 N SER A 20 11.615 1.797 -6.756 1.00 6.80 N ATOM 317 CA SER A 20 11.331 2.831 -7.662 1.00 6.28 C ATOM 318 C SER A 20 9.922 2.828 -8.140 1.00 8.45 C ATOM 319 O SER A 20 9.542 3.620 -9.001 1.00 7.26 O ATOM 320 CB SER A 20 12.155 2.706 -8.927 1.00 8.57 C ATOM 321 OG SER A 20 13.514 2.497 -8.599 1.00 11.13 O ATOM 0 H SER A 20 11.858 0.927 -7.230 1.00 6.80 H new ATOM 0 HA SER A 20 11.553 3.737 -7.098 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.786 1.877 -9.531 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.052 3.609 -9.529 1.00 8.57 H new ATOM 0 HG SER A 20 14.040 2.415 -9.422 1.00 11.13 H new ATOM 327 N ASP A 21 9.084 1.946 -7.559 1.00 7.50 N ATOM 328 CA ASP A 21 7.697 1.924 -7.946 1.00 7.70 C ATOM 329 C ASP A 21 6.989 3.085 -7.263 1.00 7.08 C ATOM 330 O ASP A 21 7.457 3.552 -6.225 1.00 8.11 O ATOM 331 CB ASP A 21 7.036 0.608 -7.595 1.00 11.00 C ATOM 332 CG ASP A 21 5.803 0.239 -8.483 1.00 15.32 C ATOM 333 OD1 ASP A 21 5.632 0.749 -9.638 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.115 -0.717 -8.047 1.00 14.36 O ATOM 0 H ASP A 21 9.350 1.268 -6.845 1.00 7.50 H new ATOM 0 HA ASP A 21 7.627 2.028 -9.029 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.776 -0.188 -7.676 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.719 0.643 -6.553 1.00 11.00 H new ATOM 339 N THR A 22 5.865 3.512 -7.827 1.00 5.37 N ATOM 340 CA THR A 22 5.152 4.523 -6.972 1.00 6.01 C ATOM 341 C THR A 22 4.274 3.832 -5.928 1.00 8.01 C ATOM 342 O THR A 22 3.933 2.674 -6.073 1.00 8.11 O ATOM 343 CB THR A 22 4.231 5.440 -7.750 1.00 8.92 C ATOM 344 OG1 THR A 22 3.332 4.777 -8.606 1.00 10.22 O ATOM 345 CG2 THR A 22 5.085 6.377 -8.618 1.00 9.65 C ATOM 0 H THR A 22 5.456 3.246 -8.723 1.00 5.37 H new ATOM 0 HA THR A 22 5.952 5.109 -6.521 1.00 6.01 H new ATOM 0 HB THR A 22 3.637 5.968 -7.004 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.774 5.437 -9.069 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.434 7.043 -9.184 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.741 6.968 -7.979 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.687 5.786 -9.308 1.00 9.65 H new ATOM 353 N ILE A 23 3.741 4.552 -4.945 1.00 8.32 N ATOM 354 CA ILE A 23 2.720 4.021 -3.983 1.00 9.92 C ATOM 355 C ILE A 23 1.380 3.635 -4.744 1.00 10.01 C ATOM 356 O ILE A 23 0.705 2.657 -4.425 1.00 8.71 O ATOM 357 CB ILE A 23 2.430 5.078 -2.905 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.705 5.327 -2.053 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.315 4.654 -1.899 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.170 4.198 -1.158 1.00 12.30 C ATOM 0 H ILE A 23 3.991 5.526 -4.774 1.00 8.32 H new ATOM 0 HA ILE A 23 3.116 3.122 -3.511 1.00 9.92 H new ATOM 0 HB ILE A 23 2.103 5.964 -3.450 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.521 5.579 -2.731 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.528 6.203 -1.428 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.164 5.448 -1.167 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.385 4.477 -2.440 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.616 3.740 -1.386 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.068 4.505 -0.621 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.385 3.954 -0.442 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.393 3.321 -1.765 1.00 12.30 H new ATOM 372 N GLU A 24 0.990 4.429 -5.779 1.00 9.54 N ATOM 373 CA GLU A 24 -0.180 4.233 -6.600 1.00 11.81 C ATOM 374 C GLU A 24 -0.176 2.879 -7.334 1.00 11.14 C ATOM 375 O GLU A 24 -1.160 2.101 -7.369 1.00 10.62 O ATOM 376 CB GLU A 24 -0.376 5.426 -7.597 1.00 19.24 C ATOM 377 CG GLU A 24 -1.478 5.262 -8.662 1.00 27.76 C ATOM 378 CD GLU A 24 -1.400 6.436 -9.662 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.853 7.546 -9.301 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.877 6.237 -10.771 1.00 34.80 O ATOM 0 H GLU A 24 1.524 5.253 -6.055 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.035 4.211 -5.925 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.594 6.323 -7.017 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.570 5.600 -8.110 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.355 4.314 -9.186 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.459 5.239 -8.187 1.00 27.76 H new ATOM 387 N ASN A 25 1.004 2.573 -7.963 1.00 9.43 N ATOM 388 CA ASN A 25 1.262 1.265 -8.639 1.00 10.96 C ATOM 389 C ASN A 25 1.326 0.072 -7.702 1.00 9.68 C ATOM 390 O ASN A 25 0.873 -1.018 -8.080 1.00 9.33 O ATOM 391 CB ASN A 25 2.663 1.361 -9.320 1.00 16.78 C ATOM 392 CG ASN A 25 2.699 2.343 -10.544 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.629 2.827 -10.962 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.878 2.559 -11.032 1.00 24.70 N ATOM 0 H ASN A 25 1.791 3.220 -8.013 1.00 9.43 H new ATOM 0 HA ASN A 25 0.431 1.102 -9.325 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.395 1.687 -8.581 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.965 0.368 -9.652 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.992 3.177 -11.835 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.693 2.111 -10.613 1.00 24.70 H new ATOM 401 N VAL A 26 1.727 0.234 -6.354 1.00 6.52 N ATOM 402 CA VAL A 26 1.454 -0.754 -5.309 1.00 5.53 C ATOM 403 C VAL A 26 -0.062 -1.030 -5.105 1.00 4.42 C ATOM 404 O VAL A 26 -0.461 -2.146 -4.889 1.00 3.40 O ATOM 405 CB VAL A 26 2.159 -0.390 -4.029 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.952 -1.476 -2.950 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.708 -0.246 -4.196 1.00 8.12 C ATOM 0 H VAL A 26 2.235 1.053 -6.019 1.00 6.52 H new ATOM 0 HA VAL A 26 1.866 -1.703 -5.652 1.00 5.53 H new ATOM 0 HB VAL A 26 1.724 0.566 -3.739 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.472 -1.186 -2.037 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.887 -1.584 -2.742 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.350 -2.425 -3.308 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.154 0.017 -3.237 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.126 -1.191 -4.544 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.924 0.536 -4.924 1.00 8.12 H new ATOM 417 N LYS A 27 -0.904 0.022 -5.163 1.00 2.64 N ATOM 418 CA LYS A 27 -2.381 -0.001 -4.957 1.00 4.14 C ATOM 419 C LYS A 27 -3.049 -0.553 -6.167 1.00 5.58 C ATOM 420 O LYS A 27 -3.997 -1.317 -6.008 1.00 4.11 O ATOM 421 CB LYS A 27 -2.967 1.382 -4.560 1.00 3.97 C ATOM 422 CG LYS A 27 -2.499 1.954 -3.180 1.00 7.45 C ATOM 423 CD LYS A 27 -3.087 3.319 -3.057 1.00 9.02 C ATOM 424 CE LYS A 27 -3.124 3.838 -1.636 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.657 5.152 -1.519 1.00 15.47 N ATOM 0 H LYS A 27 -0.563 0.962 -5.365 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.582 -0.654 -4.108 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.707 2.101 -5.336 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.054 1.304 -4.549 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.833 1.314 -2.363 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.411 1.996 -3.128 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.511 4.010 -3.672 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.101 3.306 -3.456 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.720 3.159 -1.026 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.113 3.828 -1.229 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.105 5.689 -0.820 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.607 5.630 -2.441 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.649 5.098 -1.210 1.00 15.47 H new ATOM 439 N ALA A 28 -2.493 -0.390 -7.410 1.00 6.61 N ATOM 440 CA ALA A 28 -2.974 -1.058 -8.616 1.00 7.74 C ATOM 441 C ALA A 28 -2.507 -2.570 -8.631 1.00 9.17 C ATOM 442 O ALA A 28 -3.109 -3.484 -9.234 1.00 11.45 O ATOM 443 CB ALA A 28 -2.420 -0.273 -9.833 1.00 7.68 C ATOM 0 H ALA A 28 -1.692 0.219 -7.580 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.063 -1.067 -8.651 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.760 -0.744 -10.755 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.780 0.755 -9.797 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.330 -0.277 -9.803 1.00 7.68 H new ATOM 449 N LYS A 29 -1.402 -2.910 -7.901 1.00 8.96 N ATOM 450 CA LYS A 29 -1.084 -4.306 -7.682 1.00 7.90 C ATOM 451 C LYS A 29 -2.024 -4.930 -6.651 1.00 6.92 C ATOM 452 O LYS A 29 -2.312 -6.101 -6.666 1.00 6.87 O ATOM 453 CB LYS A 29 0.347 -4.506 -7.148 1.00 10.28 C ATOM 454 CG LYS A 29 1.359 -4.330 -8.255 1.00 14.94 C ATOM 455 CD LYS A 29 2.764 -4.007 -7.636 1.00 19.69 C ATOM 456 CE LYS A 29 3.862 -3.838 -8.718 1.00 22.63 C ATOM 457 NZ LYS A 29 3.811 -2.553 -9.362 1.00 24.98 N ATOM 0 H LYS A 29 -0.754 -2.245 -7.479 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.190 -4.783 -8.656 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.546 -3.791 -6.350 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.443 -5.502 -6.715 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.415 -5.237 -8.858 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.049 -3.524 -8.920 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.696 -3.094 -7.045 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.050 -4.807 -6.954 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.842 -3.972 -8.260 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.751 -4.621 -9.468 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.509 -2.523 -10.132 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.859 -2.397 -9.751 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.028 -1.809 -8.669 1.00 24.98 H new ATOM 471 N ILE A 30 -2.555 -4.153 -5.643 1.00 4.57 N ATOM 472 CA ILE A 30 -3.599 -4.507 -4.673 1.00 5.58 C ATOM 473 C ILE A 30 -4.931 -4.624 -5.333 1.00 7.26 C ATOM 474 O ILE A 30 -5.714 -5.444 -5.038 1.00 9.46 O ATOM 475 CB ILE A 30 -3.578 -3.649 -3.435 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.342 -3.823 -2.647 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.808 -3.781 -2.530 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.098 -2.784 -1.470 1.00 2.00 C ATOM 0 H ILE A 30 -2.225 -3.199 -5.497 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.370 -5.502 -4.291 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.605 -2.634 -3.832 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.348 -4.826 -2.220 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.493 -3.772 -3.329 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.697 -3.124 -1.667 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.702 -3.500 -3.087 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.901 -4.813 -2.191 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.159 -3.017 -0.968 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.050 -1.775 -1.880 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.918 -2.846 -0.754 1.00 2.00 H new ATOM 490 N GLN A 31 -5.179 -3.765 -6.337 1.00 7.06 N ATOM 491 CA GLN A 31 -6.357 -3.794 -7.147 1.00 8.67 C ATOM 492 C GLN A 31 -6.562 -5.047 -7.957 1.00 10.90 C ATOM 493 O GLN A 31 -7.631 -5.668 -8.014 1.00 9.63 O ATOM 494 CB GLN A 31 -6.487 -2.557 -7.981 1.00 9.12 C ATOM 495 CG GLN A 31 -7.907 -2.412 -8.626 1.00 10.76 C ATOM 496 CD GLN A 31 -7.892 -1.135 -9.511 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.819 -0.522 -9.604 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.961 -0.800 -10.294 1.00 14.76 N ATOM 0 H GLN A 31 -4.532 -3.020 -6.595 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.175 -3.813 -6.427 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.282 -1.683 -7.363 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.734 -2.574 -8.769 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.147 -3.290 -9.225 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.672 -2.334 -7.854 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.838 -1.313 -10.207 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.882 -0.037 -10.966 1.00 14.76 H new ATOM 507 N ASP A 32 -5.476 -5.626 -8.506 1.00 10.93 N ATOM 508 CA ASP A 32 -5.301 -6.959 -9.020 1.00 14.01 C ATOM 509 C ASP A 32 -5.599 -8.102 -8.023 1.00 14.04 C ATOM 510 O ASP A 32 -6.329 -9.042 -8.275 1.00 13.39 O ATOM 511 CB ASP A 32 -3.875 -6.900 -9.564 1.00 18.01 C ATOM 512 CG ASP A 32 -3.619 -8.132 -10.430 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.177 -8.081 -11.568 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.884 -9.096 -10.006 1.00 26.29 O ATOM 0 H ASP A 32 -4.613 -5.091 -8.601 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.032 -7.225 -9.783 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.734 -5.992 -10.150 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.160 -6.863 -8.742 1.00 18.01 H new ATOM 519 N LYS A 33 -5.099 -7.945 -6.727 1.00 14.22 N ATOM 520 CA LYS A 33 -5.417 -8.850 -5.629 1.00 14.00 C ATOM 521 C LYS A 33 -6.877 -8.836 -5.127 1.00 12.37 C ATOM 522 O LYS A 33 -7.381 -9.933 -4.849 1.00 12.17 O ATOM 523 CB LYS A 33 -4.533 -8.596 -4.376 1.00 18.62 C ATOM 524 CG LYS A 33 -3.034 -8.851 -4.603 1.00 24.00 C ATOM 525 CD LYS A 33 -2.602 -10.352 -4.582 1.00 27.61 C ATOM 526 CE LYS A 33 -1.094 -10.557 -4.550 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.851 -11.972 -4.904 1.00 30.06 N ATOM 0 H LYS A 33 -4.475 -7.183 -6.460 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.223 -9.818 -6.091 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.670 -7.565 -4.051 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.880 -9.235 -3.564 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.751 -8.422 -5.564 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.471 -8.317 -3.837 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.044 -10.835 -3.710 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.008 -10.850 -5.463 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.598 -9.891 -5.255 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.693 -10.331 -3.562 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.172 -12.161 -4.895 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.323 -12.589 -4.213 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.230 -12.162 -5.853 1.00 30.06 H new ATOM 541 N GLU A 34 -7.517 -7.618 -4.937 1.00 10.11 N ATOM 542 CA GLU A 34 -8.637 -7.552 -4.062 1.00 10.07 C ATOM 543 C GLU A 34 -9.766 -6.848 -4.785 1.00 9.32 C ATOM 544 O GLU A 34 -10.901 -6.866 -4.293 1.00 11.61 O ATOM 545 CB GLU A 34 -8.261 -6.852 -2.713 1.00 14.77 C ATOM 546 CG GLU A 34 -7.368 -7.715 -1.768 1.00 18.75 C ATOM 547 CD GLU A 34 -7.989 -8.973 -1.193 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.056 -8.902 -0.546 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.425 -10.075 -1.310 1.00 25.19 O ATOM 0 H GLU A 34 -7.251 -6.738 -5.380 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.964 -8.557 -3.794 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.741 -5.920 -2.934 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.178 -6.588 -2.186 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.471 -8.001 -2.317 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.047 -7.086 -0.938 1.00 18.75 H new ATOM 556 N GLY A 35 -9.545 -6.163 -5.955 1.00 7.22 N ATOM 557 CA GLY A 35 -10.637 -5.408 -6.686 1.00 6.29 C ATOM 558 C GLY A 35 -10.846 -4.018 -6.203 1.00 6.93 C ATOM 559 O GLY A 35 -11.701 -3.327 -6.793 1.00 7.41 O ATOM 0 H GLY A 35 -8.634 -6.115 -6.412 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.394 -5.379 -7.748 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.572 -5.959 -6.588 1.00 6.29 H new ATOM 563 N ILE A 36 -10.122 -3.510 -5.215 1.00 5.86 N ATOM 564 CA ILE A 36 -10.319 -2.232 -4.608 1.00 6.07 C ATOM 565 C ILE A 36 -9.537 -1.208 -5.332 1.00 6.36 C ATOM 566 O ILE A 36 -8.351 -1.409 -5.448 1.00 6.18 O ATOM 567 CB ILE A 36 -9.905 -2.195 -3.161 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.412 -3.378 -2.413 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.426 -0.915 -2.453 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.202 -3.371 -0.852 1.00 9.49 C ATOM 0 H ILE A 36 -9.341 -4.020 -4.803 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.389 -2.031 -4.661 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.815 -2.201 -3.158 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.479 -3.475 -2.612 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.930 -4.268 -2.817 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.109 -0.921 -1.410 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.021 -0.034 -2.950 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.515 -0.890 -2.501 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.614 -4.286 -0.425 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.137 -3.314 -0.628 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.710 -2.508 -0.420 1.00 9.49 H new ATOM 582 N PRO A 37 -10.075 -0.074 -5.810 1.00 8.65 N ATOM 583 CA PRO A 37 -9.321 0.887 -6.601 1.00 9.18 C ATOM 584 C PRO A 37 -8.315 1.657 -5.748 1.00 9.85 C ATOM 585 O PRO A 37 -8.471 1.723 -4.555 1.00 8.51 O ATOM 586 CB PRO A 37 -10.358 1.832 -7.195 1.00 11.42 C ATOM 587 CG PRO A 37 -11.552 0.909 -7.381 1.00 9.27 C ATOM 588 CD PRO A 37 -11.465 -0.074 -6.235 1.00 8.33 C ATOM 0 HA PRO A 37 -8.736 0.385 -7.372 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.584 2.663 -6.527 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.024 2.264 -8.139 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.489 1.465 -7.355 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.511 0.399 -8.343 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.123 0.221 -5.417 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.776 -1.070 -6.551 1.00 8.33 H new ATOM 596 N PRO A 38 -7.244 2.274 -6.290 1.00 8.71 N ATOM 597 CA PRO A 38 -6.342 3.165 -5.523 1.00 9.08 C ATOM 598 C PRO A 38 -6.953 4.323 -4.736 1.00 9.28 C ATOM 599 O PRO A 38 -6.534 4.658 -3.610 1.00 6.50 O ATOM 600 CB PRO A 38 -5.346 3.736 -6.535 1.00 10.31 C ATOM 601 CG PRO A 38 -5.288 2.639 -7.644 1.00 10.81 C ATOM 602 CD PRO A 38 -6.653 1.870 -7.538 1.00 12.00 C ATOM 0 HA PRO A 38 -5.919 2.538 -4.738 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.682 4.693 -6.934 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.368 3.904 -6.085 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.163 3.084 -8.631 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.445 1.966 -7.488 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.305 2.117 -8.376 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.496 0.792 -7.563 1.00 12.00 H new ATOM 610 N ASP A 39 -8.031 4.883 -5.375 1.00 11.20 N ATOM 611 CA ASP A 39 -8.750 5.967 -4.767 1.00 14.96 C ATOM 612 C ASP A 39 -9.668 5.485 -3.596 1.00 13.99 C ATOM 613 O ASP A 39 -10.089 6.325 -2.804 1.00 13.75 O ATOM 614 CB ASP A 39 -9.712 6.645 -5.727 1.00 24.16 C ATOM 615 CG ASP A 39 -8.923 7.145 -6.938 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.003 7.988 -6.754 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.259 6.819 -8.107 1.00 34.22 O ATOM 0 H ASP A 39 -8.385 4.586 -6.284 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.963 6.642 -4.431 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.487 5.946 -6.043 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.215 7.477 -5.234 1.00 24.16 H new ATOM 622 N GLN A 40 -9.867 4.220 -3.423 1.00 11.60 N ATOM 623 CA GLN A 40 -10.543 3.545 -2.349 1.00 10.76 C ATOM 624 C GLN A 40 -9.656 2.856 -1.347 1.00 8.01 C ATOM 625 O GLN A 40 -10.142 1.986 -0.573 1.00 8.96 O ATOM 626 CB GLN A 40 -11.534 2.585 -2.950 1.00 11.14 C ATOM 627 CG GLN A 40 -12.705 3.265 -3.722 1.00 14.85 C ATOM 628 CD GLN A 40 -13.768 2.307 -4.126 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.122 1.396 -3.358 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.394 2.577 -5.296 1.00 18.16 N ATOM 0 H GLN A 40 -9.520 3.550 -4.110 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.037 4.316 -1.757 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.007 1.916 -3.630 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.950 1.967 -2.155 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.143 4.042 -3.096 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.310 3.757 -4.611 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.061 3.337 -5.889 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.198 2.020 -5.584 1.00 18.16 H new ATOM 639 N GLN A 41 -8.345 3.209 -1.266 1.00 6.52 N ATOM 640 CA GLN A 41 -7.425 2.473 -0.404 1.00 3.87 C ATOM 641 C GLN A 41 -6.604 3.561 0.290 1.00 4.79 C ATOM 642 O GLN A 41 -6.052 4.490 -0.336 1.00 6.34 O ATOM 643 CB GLN A 41 -6.494 1.626 -1.247 1.00 4.20 C ATOM 644 CG GLN A 41 -7.016 0.256 -1.818 1.00 3.20 C ATOM 645 CD GLN A 41 -5.939 -0.318 -2.631 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.768 -0.514 -2.267 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.295 -0.548 -3.921 1.00 7.13 N ATOM 0 H GLN A 41 -7.924 3.983 -1.780 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.947 1.815 0.291 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.172 2.234 -2.093 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.607 1.417 -0.649 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.287 -0.420 -1.007 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.912 0.407 -2.420 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.257 -0.387 -4.221 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.601 -0.881 -4.590 1.00 7.13 H new ATOM 656 N ARG A 42 -6.464 3.393 1.615 1.00 5.73 N ATOM 657 CA ARG A 42 -5.529 4.175 2.407 1.00 6.97 C ATOM 658 C ARG A 42 -4.453 3.268 2.963 1.00 7.15 C ATOM 659 O ARG A 42 -4.654 2.215 3.501 1.00 7.33 O ATOM 660 CB ARG A 42 -6.175 4.852 3.710 1.00 13.23 C ATOM 661 CG ARG A 42 -6.781 6.169 3.339 1.00 21.27 C ATOM 662 CD ARG A 42 -7.470 7.013 4.436 1.00 26.14 C ATOM 663 NE ARG A 42 -8.088 8.128 3.759 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.342 8.582 3.886 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.242 8.050 4.699 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.709 9.723 3.227 1.00 36.39 N ATOM 0 H ARG A 42 -6.998 2.712 2.156 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.169 4.944 1.724 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.935 4.196 4.135 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.412 4.993 4.476 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.994 6.781 2.899 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.516 5.984 2.556 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.213 6.423 4.972 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.746 7.359 5.173 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.495 8.634 3.101 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.996 7.246 5.276 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.181 8.445 4.748 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.031 10.218 2.647 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.661 10.079 3.315 1.00 36.39 H new ATOM 680 N LEU A 43 -3.183 3.617 2.825 1.00 4.65 N ATOM 681 CA LEU A 43 -2.026 2.794 3.293 1.00 3.51 C ATOM 682 C LEU A 43 -1.285 3.433 4.386 1.00 5.56 C ATOM 683 O LEU A 43 -0.996 4.652 4.294 1.00 4.19 O ATOM 684 CB LEU A 43 -0.900 2.483 2.174 1.00 3.74 C ATOM 685 CG LEU A 43 -1.436 1.572 1.076 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.378 1.471 -0.057 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.786 0.161 1.573 1.00 6.41 C ATOM 0 H LEU A 43 -2.899 4.490 2.380 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.522 1.872 3.595 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.555 3.419 1.735 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.036 2.015 2.646 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.363 2.016 0.714 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.753 0.821 -0.848 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.185 2.464 -0.464 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.547 1.058 0.345 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.161 -0.435 0.741 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.894 -0.311 1.984 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.551 0.227 2.346 1.00 6.41 H new ATOM 699 N ILE A 44 -1.047 2.753 5.494 1.00 4.58 N ATOM 700 CA ILE A 44 -0.388 3.297 6.666 1.00 5.55 C ATOM 701 C ILE A 44 1.020 2.543 6.819 1.00 5.46 C ATOM 702 O ILE A 44 1.021 1.281 6.833 1.00 6.04 O ATOM 703 CB ILE A 44 -1.169 3.080 7.940 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.565 3.732 7.881 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.393 3.607 9.134 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.644 5.219 7.562 1.00 13.90 C ATOM 0 H ILE A 44 -1.316 1.775 5.605 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.286 4.373 6.523 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.314 2.005 8.052 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.152 3.198 7.134 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.051 3.570 8.843 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.970 3.443 10.044 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.560 3.083 9.209 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.211 4.674 9.007 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.687 5.535 7.555 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.099 5.783 8.319 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.202 5.405 6.583 1.00 13.90 H new ATOM 718 N PHE A 45 2.178 3.213 7.135 1.00 6.75 N ATOM 719 CA PHE A 45 3.444 2.529 7.531 1.00 4.70 C ATOM 720 C PHE A 45 4.154 3.455 8.510 1.00 6.34 C ATOM 721 O PHE A 45 4.290 4.671 8.309 1.00 5.45 O ATOM 722 CB PHE A 45 4.297 2.288 6.302 1.00 5.51 C ATOM 723 CG PHE A 45 5.528 1.481 6.618 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.472 0.184 7.040 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.776 2.089 6.326 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.717 -0.531 7.288 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.956 1.409 6.626 1.00 6.64 C ATOM 728 CZ PHE A 45 7.910 0.147 7.194 1.00 6.84 C ATOM 0 H PHE A 45 2.252 4.230 7.121 1.00 6.75 H new ATOM 0 HA PHE A 45 3.251 1.561 7.994 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.707 1.768 5.548 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.592 3.245 5.872 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.520 -0.304 7.188 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.812 3.070 5.875 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.703 -1.580 7.543 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.910 1.869 6.414 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.816 -0.308 7.565 1.00 6.84 H new ATOM 738 N ALA A 46 4.557 2.906 9.723 1.00 6.53 N ATOM 739 CA ALA A 46 5.105 3.651 10.810 1.00 7.15 C ATOM 740 C ALA A 46 4.249 4.853 11.393 1.00 9.00 C ATOM 741 O ALA A 46 4.746 5.949 11.689 1.00 11.15 O ATOM 742 CB ALA A 46 6.527 4.208 10.445 1.00 8.99 C ATOM 0 H ALA A 46 4.486 1.908 9.921 1.00 6.53 H new ATOM 0 HA ALA A 46 5.128 2.904 11.603 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.924 4.772 11.289 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.195 3.378 10.217 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.450 4.861 9.576 1.00 8.99 H new ATOM 748 N GLY A 47 2.889 4.639 11.393 1.00 9.35 N ATOM 749 CA GLY A 47 1.953 5.687 11.716 1.00 11.68 C ATOM 750 C GLY A 47 1.819 6.756 10.722 1.00 11.14 C ATOM 751 O GLY A 47 1.383 7.829 11.030 1.00 13.93 O ATOM 0 H GLY A 47 2.455 3.743 11.169 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.973 5.237 11.871 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.252 6.134 12.664 1.00 11.68 H new ATOM 755 N LYS A 48 2.291 6.573 9.473 1.00 10.47 N ATOM 756 CA LYS A 48 2.373 7.602 8.489 1.00 8.82 C ATOM 757 C LYS A 48 1.608 7.058 7.270 1.00 7.68 C ATOM 758 O LYS A 48 1.977 6.018 6.714 1.00 6.47 O ATOM 759 CB LYS A 48 3.843 7.875 8.062 1.00 9.74 C ATOM 760 CG LYS A 48 4.055 8.913 6.913 1.00 14.14 C ATOM 761 CD LYS A 48 3.488 10.303 7.180 1.00 16.32 C ATOM 762 CE LYS A 48 3.907 11.386 6.228 1.00 20.04 C ATOM 763 NZ LYS A 48 3.153 12.602 6.595 1.00 23.92 N ATOM 0 H LYS A 48 2.628 5.670 9.139 1.00 10.47 H new ATOM 0 HA LYS A 48 1.968 8.535 8.880 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.394 8.218 8.937 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.290 6.930 7.754 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.124 9.005 6.721 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.600 8.521 6.003 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.400 10.237 7.166 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.776 10.603 8.188 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.980 11.563 6.295 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.695 11.097 5.199 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.416 13.379 5.956 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.133 12.416 6.513 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.379 12.868 7.575 1.00 23.92 H new ATOM 777 N GLN A 49 0.578 7.814 6.808 1.00 8.89 N ATOM 778 CA GLN A 49 -0.081 7.518 5.592 1.00 7.18 C ATOM 779 C GLN A 49 0.673 7.796 4.370 1.00 8.23 C ATOM 780 O GLN A 49 1.237 8.841 4.250 1.00 9.70 O ATOM 781 CB GLN A 49 -1.391 8.414 5.522 1.00 11.67 C ATOM 782 CG GLN A 49 -2.454 7.826 4.572 1.00 15.82 C ATOM 783 CD GLN A 49 -3.737 8.554 4.672 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.462 8.324 5.630 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.050 9.411 3.752 1.00 20.67 N ATOM 0 H GLN A 49 0.213 8.633 7.294 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.256 6.442 5.614 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.815 8.512 6.521 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.125 9.417 5.189 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.089 7.870 3.546 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.613 6.774 4.809 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.416 9.573 2.969 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.930 9.924 3.811 1.00 20.67 H new ATOM 794 N LEU A 50 0.669 6.853 3.411 1.00 6.51 N ATOM 795 CA LEU A 50 1.452 7.008 2.180 1.00 7.41 C ATOM 796 C LEU A 50 0.767 7.756 1.060 1.00 8.27 C ATOM 797 O LEU A 50 -0.444 7.635 0.823 1.00 8.34 O ATOM 798 CB LEU A 50 1.912 5.603 1.690 1.00 7.13 C ATOM 799 CG LEU A 50 2.563 4.689 2.751 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.032 3.341 2.208 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.735 5.251 3.528 1.00 9.11 C ATOM 0 H LEU A 50 0.137 5.985 3.467 1.00 6.51 H new ATOM 0 HA LEU A 50 2.301 7.637 2.446 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.047 5.085 1.276 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.622 5.740 0.874 1.00 7.13 H new ATOM 0 HG LEU A 50 1.717 4.586 3.430 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.477 2.759 3.015 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.181 2.799 1.796 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.773 3.502 1.425 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.093 4.504 4.237 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.538 5.511 2.838 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.419 6.143 4.069 1.00 9.11 H new ATOM 813 N GLU A 51 1.486 8.538 0.355 1.00 9.43 N ATOM 814 CA GLU A 51 1.006 9.411 -0.736 1.00 11.90 C ATOM 815 C GLU A 51 1.315 8.776 -2.005 1.00 11.49 C ATOM 816 O GLU A 51 2.460 8.526 -2.332 1.00 9.88 O ATOM 817 CB GLU A 51 1.662 10.799 -0.506 1.00 16.56 C ATOM 818 CG GLU A 51 1.326 11.825 -1.575 1.00 26.06 C ATOM 819 CD GLU A 51 1.850 13.278 -1.229 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.583 13.846 -0.164 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.591 13.799 -2.086 1.00 33.44 O ATOM 0 H GLU A 51 2.492 8.619 0.502 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.073 9.562 -0.750 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.346 11.183 0.464 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.744 10.676 -0.463 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.757 11.506 -2.524 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.245 11.858 -1.711 1.00 26.06 H new ATOM 828 N ASP A 52 0.268 8.623 -2.863 1.00 12.71 N ATOM 829 CA ASP A 52 0.278 7.877 -4.081 1.00 16.56 C ATOM 830 C ASP A 52 1.350 8.254 -5.143 1.00 15.83 C ATOM 831 O ASP A 52 1.900 7.456 -5.838 1.00 17.21 O ATOM 832 CB ASP A 52 -1.156 7.952 -4.628 1.00 21.05 C ATOM 833 CG ASP A 52 -2.209 7.727 -3.532 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.665 8.705 -2.878 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.676 6.600 -3.471 1.00 28.37 O ATOM 0 H ASP A 52 -0.639 9.054 -2.682 1.00 12.71 H new ATOM 0 HA ASP A 52 0.592 6.859 -3.848 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.317 8.927 -5.089 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.284 7.204 -5.411 1.00 21.05 H new ATOM 840 N GLY A 53 1.666 9.568 -5.276 1.00 15.00 N ATOM 841 CA GLY A 53 2.644 10.121 -6.165 1.00 11.77 C ATOM 842 C GLY A 53 4.062 9.941 -5.738 1.00 11.10 C ATOM 843 O GLY A 53 4.965 10.254 -6.459 1.00 11.25 O ATOM 0 H GLY A 53 1.202 10.286 -4.721 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.517 9.667 -7.148 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.448 11.187 -6.278 1.00 11.77 H new ATOM 847 N ARG A 54 4.256 9.339 -4.542 1.00 8.53 N ATOM 848 CA ARG A 54 5.588 9.074 -4.024 1.00 9.05 C ATOM 849 C ARG A 54 6.101 7.706 -4.345 1.00 8.96 C ATOM 850 O ARG A 54 5.385 6.846 -4.843 1.00 11.60 O ATOM 851 CB ARG A 54 5.540 9.283 -2.491 1.00 7.97 C ATOM 852 CG ARG A 54 5.052 10.674 -2.067 1.00 9.62 C ATOM 853 CD ARG A 54 5.875 11.836 -2.609 1.00 12.20 C ATOM 854 NE ARG A 54 5.223 13.040 -1.972 1.00 18.23 N ATOM 855 CZ ARG A 54 5.593 13.615 -0.850 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.815 13.540 -0.379 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.638 14.217 -0.156 1.00 23.38 N ATOM 0 H ARG A 54 3.499 9.034 -3.930 1.00 8.53 H new ATOM 0 HA ARG A 54 6.283 9.761 -4.506 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.885 8.530 -2.052 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.536 9.118 -2.081 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.019 10.796 -2.394 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.050 10.726 -0.978 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.925 11.751 -2.330 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.837 11.885 -3.697 1.00 12.20 H new ATOM 0 HE ARG A 54 4.422 13.444 -2.457 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.527 13.017 -0.889 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.053 14.004 0.497 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.678 14.216 -0.502 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.863 14.682 0.724 1.00 23.38 H new ATOM 871 N THR A 55 7.388 7.432 -4.005 1.00 9.05 N ATOM 872 CA THR A 55 7.952 6.104 -4.236 1.00 9.03 C ATOM 873 C THR A 55 8.147 5.421 -2.854 1.00 8.15 C ATOM 874 O THR A 55 8.162 6.037 -1.792 1.00 5.91 O ATOM 875 CB THR A 55 9.252 6.175 -5.076 1.00 11.15 C ATOM 876 OG1 THR A 55 10.372 6.723 -4.305 1.00 11.95 O ATOM 877 CG2 THR A 55 9.097 6.992 -6.376 1.00 11.71 C ATOM 0 H THR A 55 8.029 8.103 -3.582 1.00 9.05 H new ATOM 0 HA THR A 55 7.270 5.497 -4.832 1.00 9.03 H new ATOM 0 HB THR A 55 9.464 5.141 -5.348 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.079 7.528 -3.829 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.044 7.001 -6.915 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.328 6.539 -7.001 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.809 8.014 -6.131 1.00 11.71 H new ATOM 885 N LEU A 56 8.427 4.098 -2.925 1.00 6.91 N ATOM 886 CA LEU A 56 8.853 3.330 -1.729 1.00 8.29 C ATOM 887 C LEU A 56 10.013 3.907 -1.028 1.00 8.05 C ATOM 888 O LEU A 56 10.053 3.916 0.193 1.00 10.17 O ATOM 889 CB LEU A 56 9.210 1.840 -2.070 1.00 6.60 C ATOM 890 CG LEU A 56 8.047 0.865 -2.208 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.148 1.204 -3.405 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.548 -0.555 -2.237 1.00 8.64 C ATOM 0 H LEU A 56 8.367 3.547 -3.782 1.00 6.91 H new ATOM 0 HA LEU A 56 7.983 3.378 -1.074 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.772 1.831 -3.004 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.876 1.465 -1.293 1.00 6.60 H new ATOM 0 HG LEU A 56 7.413 0.967 -1.327 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.333 0.483 -3.464 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.737 2.206 -3.279 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.734 1.165 -4.323 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.703 -1.237 -2.336 1.00 8.64 H new ATOM 0 HD22 LEU A 56 9.221 -0.686 -3.084 1.00 8.64 H new ATOM 0 HD23 LEU A 56 9.082 -0.771 -1.312 1.00 8.64 H new ATOM 904 N SER A 57 10.986 4.409 -1.763 1.00 8.92 N ATOM 905 CA SER A 57 12.197 4.973 -1.184 1.00 9.00 C ATOM 906 C SER A 57 12.152 6.284 -0.502 1.00 9.44 C ATOM 907 O SER A 57 12.991 6.585 0.348 1.00 10.91 O ATOM 908 CB SER A 57 13.325 5.107 -2.195 1.00 10.32 C ATOM 909 OG SER A 57 13.797 3.854 -2.638 1.00 13.59 O ATOM 0 H SER A 57 10.962 4.439 -2.782 1.00 8.92 H new ATOM 0 HA SER A 57 12.352 4.219 -0.412 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.976 5.685 -3.051 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.147 5.665 -1.747 1.00 10.32 H new ATOM 0 HG SER A 57 14.519 3.987 -3.287 1.00 13.59 H new ATOM 915 N ASP A 58 11.138 7.117 -0.784 1.00 9.11 N ATOM 916 CA ASP A 58 10.852 8.380 -0.099 1.00 7.91 C ATOM 917 C ASP A 58 10.502 8.132 1.373 1.00 9.12 C ATOM 918 O ASP A 58 10.982 8.914 2.247 1.00 8.61 O ATOM 919 CB ASP A 58 9.648 9.094 -0.784 1.00 8.41 C ATOM 920 CG ASP A 58 10.002 9.683 -2.118 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.672 10.719 -2.093 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.682 9.115 -3.164 1.00 11.70 O ATOM 0 H ASP A 58 10.469 6.917 -1.527 1.00 9.11 H new ATOM 0 HA ASP A 58 11.743 9.005 -0.158 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.834 8.381 -0.912 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.280 9.884 -0.129 1.00 8.41 H new ATOM 927 N TYR A 59 9.793 7.046 1.727 1.00 7.97 N ATOM 928 CA TYR A 59 9.477 6.634 3.078 1.00 8.45 C ATOM 929 C TYR A 59 10.464 5.586 3.548 1.00 10.98 C ATOM 930 O TYR A 59 10.335 5.168 4.734 1.00 12.95 O ATOM 931 CB TYR A 59 8.123 5.876 3.105 1.00 7.94 C ATOM 932 CG TYR A 59 6.991 6.778 2.748 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.382 7.637 3.635 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.628 6.887 1.365 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.559 8.671 3.160 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.652 7.710 0.950 1.00 6.52 C ATOM 937 CZ TYR A 59 5.162 8.672 1.781 1.00 6.76 C ATOM 938 OH TYR A 59 4.197 9.595 1.391 1.00 7.63 O ATOM 0 H TYR A 59 9.411 6.407 1.030 1.00 7.97 H new ATOM 0 HA TYR A 59 9.479 7.537 3.689 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.158 5.039 2.407 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.958 5.457 4.098 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.537 7.516 4.697 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.155 6.290 0.636 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.229 9.456 3.824 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.253 7.609 -0.048 1.00 6.52 H new ATOM 0 HH TYR A 59 4.616 10.472 1.263 1.00 7.63 H new ATOM 948 N ASN A 60 11.354 5.169 2.638 1.00 12.38 N ATOM 949 CA ASN A 60 12.506 4.259 2.863 1.00 13.94 C ATOM 950 C ASN A 60 12.137 2.809 3.100 1.00 14.16 C ATOM 951 O ASN A 60 12.564 2.173 4.042 1.00 14.26 O ATOM 952 CB ASN A 60 13.433 4.764 4.027 1.00 19.23 C ATOM 953 CG ASN A 60 14.138 6.090 3.790 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.802 7.183 4.359 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.177 6.104 2.926 1.00 24.09 N ATOM 0 H ASN A 60 11.294 5.470 1.665 1.00 12.38 H new ATOM 0 HA ASN A 60 13.050 4.288 1.919 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.832 4.852 4.932 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.189 4.003 4.219 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.674 6.975 2.741 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.464 5.244 2.459 1.00 24.09 H new ATOM 962 N ILE A 61 11.153 2.330 2.334 1.00 11.08 N ATOM 963 CA ILE A 61 10.595 1.003 2.493 1.00 11.78 C ATOM 964 C ILE A 61 11.571 -0.094 2.083 1.00 13.74 C ATOM 965 O ILE A 61 12.030 -0.141 0.927 1.00 14.60 O ATOM 966 CB ILE A 61 9.209 0.710 1.936 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.313 1.909 2.298 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.597 -0.642 2.440 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.915 1.979 1.702 1.00 11.42 C ATOM 0 H ILE A 61 10.723 2.866 1.580 1.00 11.08 H new ATOM 0 HA ILE A 61 10.429 0.997 3.570 1.00 11.78 H new ATOM 0 HB ILE A 61 9.281 0.583 0.856 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.212 1.931 3.383 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.842 2.817 2.009 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.609 -0.781 2.000 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.245 -1.467 2.145 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.510 -0.620 3.526 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.414 2.881 2.054 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.984 2.003 0.614 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.344 1.103 2.010 1.00 11.42 H new ATOM 981 N GLN A 62 11.849 -0.994 3.023 1.00 13.97 N ATOM 982 CA GLN A 62 12.688 -2.114 2.887 1.00 15.52 C ATOM 983 C GLN A 62 12.051 -3.488 2.802 1.00 13.94 C ATOM 984 O GLN A 62 10.862 -3.757 3.113 1.00 12.15 O ATOM 985 CB GLN A 62 13.679 -2.103 4.095 1.00 19.53 C ATOM 986 CG GLN A 62 14.373 -0.724 4.320 1.00 26.38 C ATOM 987 CD GLN A 62 15.344 -0.441 3.202 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.371 -0.881 2.044 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.368 0.418 3.544 1.00 32.71 N ATOM 0 H GLN A 62 11.448 -0.927 3.959 1.00 13.97 H new ATOM 0 HA GLN A 62 13.149 -1.991 1.907 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.139 -2.381 5.000 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.443 -2.863 3.934 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.623 0.065 4.368 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.897 -0.724 5.276 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.407 0.817 4.482 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.086 0.654 2.859 1.00 32.71 H new ATOM 998 N LYS A 63 12.858 -4.406 2.153 1.00 11.73 N ATOM 999 CA LYS A 63 12.470 -5.766 1.951 1.00 11.97 C ATOM 1000 C LYS A 63 11.818 -6.553 3.126 1.00 10.41 C ATOM 1001 O LYS A 63 12.228 -6.448 4.297 1.00 9.59 O ATOM 1002 CB LYS A 63 13.540 -6.605 1.214 1.00 13.73 C ATOM 1003 CG LYS A 63 14.490 -7.319 2.100 1.00 16.98 C ATOM 1004 CD LYS A 63 15.334 -8.319 1.285 1.00 20.19 C ATOM 1005 CE LYS A 63 16.283 -9.303 2.097 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.979 -10.080 1.070 1.00 25.97 N ATOM 0 H LYS A 63 13.778 -4.178 1.777 1.00 11.73 H new ATOM 0 HA LYS A 63 11.615 -5.615 1.292 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.036 -7.336 0.581 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.105 -5.948 0.553 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.143 -6.602 2.597 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.943 -7.847 2.881 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.654 -8.924 0.685 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.952 -7.751 0.590 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.986 -8.750 2.720 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.709 -9.949 2.761 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.627 -10.755 1.525 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.284 -10.600 0.497 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.522 -9.438 0.458 1.00 25.97 H new ATOM 1020 N GLU A 64 10.750 -7.310 2.777 1.00 10.04 N ATOM 1021 CA GLU A 64 9.838 -8.008 3.757 1.00 10.94 C ATOM 1022 C GLU A 64 9.317 -7.148 4.874 1.00 9.74 C ATOM 1023 O GLU A 64 8.970 -7.649 5.918 1.00 9.42 O ATOM 1024 CB GLU A 64 10.446 -9.258 4.278 1.00 18.31 C ATOM 1025 CG GLU A 64 11.028 -10.132 3.132 1.00 24.16 C ATOM 1026 CD GLU A 64 11.502 -11.451 3.714 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.050 -11.474 4.869 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.489 -12.490 2.970 1.00 32.61 O ATOM 0 H GLU A 64 10.483 -7.464 1.805 1.00 10.04 H new ATOM 0 HA GLU A 64 8.956 -8.262 3.169 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.237 -9.011 4.986 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.695 -9.828 4.826 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.270 -10.307 2.369 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.856 -9.615 2.646 1.00 24.16 H new ATOM 1035 N SER A 65 9.101 -5.813 4.661 1.00 6.85 N ATOM 1036 CA SER A 65 8.236 -4.988 5.512 1.00 6.90 C ATOM 1037 C SER A 65 6.751 -5.425 5.497 1.00 4.72 C ATOM 1038 O SER A 65 6.233 -5.942 4.448 1.00 3.91 O ATOM 1039 CB SER A 65 8.266 -3.495 5.180 1.00 7.28 C ATOM 1040 OG SER A 65 9.573 -2.982 5.245 1.00 10.56 O ATOM 0 H SER A 65 9.528 -5.297 3.892 1.00 6.85 H new ATOM 0 HA SER A 65 8.665 -5.149 6.501 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.860 -3.334 4.181 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.626 -2.953 5.876 1.00 7.28 H new ATOM 0 HG SER A 65 10.060 -3.224 4.430 1.00 10.56 H new ATOM 1046 N THR A 66 6.078 -5.236 6.672 1.00 4.48 N ATOM 1047 CA THR A 66 4.645 -5.325 6.805 1.00 3.80 C ATOM 1048 C THR A 66 4.118 -3.900 6.751 1.00 4.60 C ATOM 1049 O THR A 66 4.570 -3.081 7.602 1.00 5.33 O ATOM 1050 CB THR A 66 4.258 -5.891 8.151 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.752 -7.241 8.212 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.686 -5.830 8.283 1.00 3.40 C ATOM 0 H THR A 66 6.551 -5.016 7.549 1.00 4.48 H new ATOM 0 HA THR A 66 4.243 -5.967 6.021 1.00 3.80 H new ATOM 0 HB THR A 66 4.686 -5.324 8.978 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.517 -7.636 9.077 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.386 -6.235 9.250 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.354 -4.795 8.204 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.231 -6.418 7.486 1.00 3.40 H new ATOM 1060 N LEU A 67 3.123 -3.669 5.868 1.00 4.17 N ATOM 1061 CA LEU A 67 2.432 -2.360 5.626 1.00 3.85 C ATOM 1062 C LEU A 67 0.981 -2.576 5.973 1.00 3.80 C ATOM 1063 O LEU A 67 0.493 -3.692 5.962 1.00 5.54 O ATOM 1064 CB LEU A 67 2.341 -1.819 4.213 1.00 7.18 C ATOM 1065 CG LEU A 67 3.679 -1.362 3.561 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.582 -2.536 3.280 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.441 -0.564 2.221 1.00 11.66 C ATOM 0 H LEU A 67 2.756 -4.412 5.274 1.00 4.17 H new ATOM 0 HA LEU A 67 3.032 -1.656 6.203 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.897 -2.588 3.580 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.655 -0.972 4.215 1.00 7.18 H new ATOM 0 HG LEU A 67 4.159 -0.700 4.282 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.507 -2.183 2.825 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.810 -3.051 4.213 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.082 -3.224 2.598 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.401 -0.265 1.800 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.915 -1.199 1.508 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.843 0.323 2.427 1.00 11.66 H new ATOM 1079 N HIS A 68 0.250 -1.498 6.379 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.155 -1.595 6.839 1.00 4.17 C ATOM 1081 C HIS A 68 -2.113 -1.011 5.891 1.00 5.32 C ATOM 1082 O HIS A 68 -2.082 0.158 5.573 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.299 -0.873 8.112 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.396 -1.392 9.266 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.846 -0.846 9.488 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.386 -2.571 9.909 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.524 -1.673 10.266 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.773 -2.687 10.648 1.00 16.30 N ATOM 0 H HIS A 68 0.620 -0.548 6.394 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.376 -2.658 6.940 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.077 0.181 7.942 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.340 -0.932 8.430 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.167 -3.315 9.856 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.557 -1.536 10.551 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.000 -3.402 11.340 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.117 -1.809 5.451 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.101 -1.345 4.465 1.00 3.97 C ATOM 1098 C LEU A 69 -5.386 -1.003 5.178 1.00 5.07 C ATOM 1099 O LEU A 69 -5.992 -1.826 5.866 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.316 -2.396 3.320 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.572 -2.317 2.425 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.847 -0.967 1.725 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.431 -3.429 1.307 1.00 9.96 C ATOM 0 H LEU A 69 -3.259 -2.769 5.766 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.724 -0.447 3.975 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.447 -2.343 2.664 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.308 -3.384 3.781 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.416 -2.457 3.100 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.756 -1.045 1.128 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.972 -0.187 2.476 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.008 -0.716 1.076 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.304 -3.402 0.655 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.532 -3.242 0.719 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.360 -4.410 1.777 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.854 0.234 4.893 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.030 0.822 5.432 1.00 6.26 C ATOM 1117 C VAL A 70 -8.036 1.022 4.259 1.00 9.22 C ATOM 1118 O VAL A 70 -7.783 1.840 3.373 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.886 1.963 6.341 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.321 2.358 6.899 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.066 1.507 7.475 1.00 8.54 C ATOM 0 H VAL A 70 -5.372 0.854 4.243 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.430 0.119 6.163 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.436 2.815 5.832 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.227 3.206 7.577 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.973 2.628 6.068 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.749 1.511 7.435 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.932 2.327 8.180 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.565 0.677 7.975 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.092 1.179 7.111 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.172 0.327 4.260 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.243 0.656 3.331 1.00 16.06 C ATOM 1133 C LEU A 71 -10.851 2.087 3.382 1.00 18.09 C ATOM 1134 O LEU A 71 -11.044 2.666 4.483 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.524 -0.291 3.471 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.623 -0.086 2.408 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.084 -0.298 1.010 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.805 -0.992 2.714 1.00 19.57 C ATOM 0 H LEU A 71 -9.370 -0.455 4.884 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.685 0.532 2.403 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.193 -1.329 3.430 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.963 -0.135 4.456 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.969 0.947 2.448 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.884 -0.146 0.285 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.280 0.413 0.818 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.699 -1.314 0.918 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.580 -0.845 1.962 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.479 -2.032 2.701 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.204 -0.749 3.699 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.012 2.706 2.200 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.609 3.998 2.031 1.00 25.83 C ATOM 1152 C ARG A 72 -12.854 3.911 1.163 1.00 27.74 C ATOM 1153 O ARG A 72 -12.875 3.119 0.218 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.507 4.900 1.426 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.983 6.281 1.108 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.835 7.157 0.562 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.530 8.477 0.313 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.123 9.312 -0.638 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.946 9.166 -1.230 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.912 10.262 -1.108 1.00 35.02 N ATOM 0 H ARG A 72 -10.713 2.288 1.319 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.956 4.418 2.975 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.673 4.962 2.125 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.126 4.436 0.516 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.787 6.231 0.373 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.399 6.740 2.005 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.021 7.255 1.280 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.407 6.744 -0.351 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.332 8.733 0.890 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.330 8.400 -0.958 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.656 9.820 -1.957 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.858 10.368 -0.741 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.575 10.890 -1.838 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.929 4.650 1.496 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.211 4.639 0.766 1.00 30.76 C ATOM 1176 C LEU A 73 -15.121 5.331 -0.576 1.00 32.18 C ATOM 1177 O LEU A 73 -14.326 6.265 -0.752 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.391 5.253 1.609 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.699 4.479 2.885 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.751 5.322 3.664 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.198 3.053 2.633 1.00 29.11 C ATOM 0 H LEU A 73 -13.931 5.284 2.295 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.432 3.586 0.590 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.143 6.282 1.870 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.288 5.288 0.990 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.783 4.343 3.460 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.010 4.813 4.592 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.334 6.303 3.893 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.646 5.441 3.053 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.397 2.563 3.586 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.115 3.087 2.044 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.438 2.492 2.089 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.956 4.927 -1.579 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.011 5.457 -2.929 1.00 35.33 C ATOM 1195 C ARG A 74 -16.381 6.930 -2.912 1.00 36.22 C ATOM 1196 O ARG A 74 -15.848 7.754 -3.612 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.001 4.703 -3.906 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.870 5.070 -5.422 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.596 4.158 -6.333 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.253 4.486 -7.687 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.534 3.631 -8.380 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.437 2.329 -8.067 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.865 4.084 -9.435 1.00 41.93 N ATOM 0 H ARG A 74 -16.636 4.181 -1.434 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.006 5.302 -3.321 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.844 3.630 -3.796 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.023 4.909 -3.588 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.240 6.084 -5.572 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.814 5.072 -5.694 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.334 3.122 -6.118 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.671 4.252 -6.183 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.561 5.365 -8.103 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.936 1.961 -7.257 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.865 1.708 -8.639 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.918 5.071 -9.687 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.298 3.445 -9.992 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.340 7.176 -2.031 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.843 8.481 -1.682 1.00 36.07 C ATOM 1219 C GLY A 75 -17.145 9.223 -0.588 1.00 36.16 C ATOM 1220 O GLY A 75 -17.681 10.111 0.027 1.00 36.26 O ATOM 0 H GLY A 75 -17.807 6.427 -1.519 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.817 9.101 -2.578 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.890 8.373 -1.399 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.926 8.806 -0.208 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.232 9.408 0.937 1.00 36.19 C ATOM 1226 C GLY A 76 -13.745 9.548 0.667 1.00 36.20 C ATOM 1227 O GLY A 76 -13.344 10.212 -0.303 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.935 8.964 1.402 1.00 0.00 O ATOM 0 H GLY A 76 -15.407 8.062 -0.673 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.659 10.388 1.150 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.387 8.793 1.824 1.00 36.19 H new TER 1232 GLY A 76