USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 132:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 175:sc= 0.381 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 0.359 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.181) USER MOD Single : A 1 MET N :NH3+ 167:sc= 2.5 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 140:sc= 1.04 (180deg=-0.565!) 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 22 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= 0.00385 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.774 K(o=0.77,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.46 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 66:sc= 1.3 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.000 -7.431 -4.997 1.00 9.67 N ATOM 2 CA MET A 1 11.081 -7.687 -3.503 1.00 10.38 C ATOM 3 C MET A 1 9.684 -7.882 -2.971 1.00 9.62 C ATOM 4 O MET A 1 8.682 -7.337 -3.442 1.00 9.62 O ATOM 5 CB MET A 1 11.797 -6.522 -2.722 1.00 13.77 C ATOM 6 CG MET A 1 11.022 -5.190 -2.560 1.00 16.29 C ATOM 7 SD MET A 1 12.312 -3.933 -2.069 1.00 17.17 S ATOM 8 CE MET A 1 11.031 -2.719 -1.698 1.00 16.11 C ATOM 0 H1 MET A 1 11.917 -7.080 -5.339 1.00 9.67 H new ATOM 0 H2 MET A 1 10.763 -8.316 -5.489 1.00 9.67 H new ATOM 0 H3 MET A 1 10.264 -6.721 -5.188 1.00 9.67 H new ATOM 0 HA MET A 1 11.684 -8.581 -3.348 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.048 -6.889 -1.727 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.737 -6.305 -3.229 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.528 -4.906 -3.489 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.246 -5.276 -1.800 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.492 -1.749 -1.511 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.349 -2.640 -2.544 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.477 -3.033 -0.814 1.00 16.11 H new ATOM 20 N GLN A 2 9.624 -8.679 -1.890 1.00 9.27 N ATOM 21 CA GLN A 2 8.390 -9.116 -1.286 1.00 9.07 C ATOM 22 C GLN A 2 7.961 -8.260 -0.139 1.00 8.72 C ATOM 23 O GLN A 2 8.661 -8.133 0.844 1.00 8.22 O ATOM 24 CB GLN A 2 8.563 -10.511 -0.649 1.00 14.46 C ATOM 25 CG GLN A 2 7.302 -11.241 -0.097 1.00 17.01 C ATOM 26 CD GLN A 2 7.673 -12.692 0.222 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.652 -12.958 0.924 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.004 -13.686 -0.389 1.00 19.49 N ATOM 0 H GLN A 2 10.455 -9.034 -1.417 1.00 9.27 H new ATOM 0 HA GLN A 2 7.664 -9.086 -2.098 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.022 -11.161 -1.395 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.275 -10.414 0.171 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.937 -10.739 0.799 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.496 -11.210 -0.830 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.194 -13.473 -0.971 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.307 -14.653 -0.271 1.00 19.49 H new ATOM 37 N ILE A 3 6.786 -7.629 -0.235 1.00 5.87 N ATOM 38 CA ILE A 3 6.179 -6.809 0.874 1.00 5.07 C ATOM 39 C ILE A 3 4.790 -7.349 1.317 1.00 4.01 C ATOM 40 O ILE A 3 3.974 -7.750 0.462 1.00 4.61 O ATOM 41 CB ILE A 3 6.107 -5.275 0.644 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.144 -4.720 -0.453 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.558 -4.798 0.269 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.766 -3.259 -0.330 1.00 10.83 C ATOM 0 H ILE A 3 6.211 -7.659 -1.077 1.00 5.87 H new ATOM 0 HA ILE A 3 6.901 -6.939 1.680 1.00 5.07 H new ATOM 0 HB ILE A 3 5.693 -4.888 1.575 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.609 -4.873 -1.427 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.230 -5.313 -0.439 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.554 -3.722 0.098 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.241 -5.033 1.085 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.886 -5.308 -0.637 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.095 -2.987 -1.145 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.265 -3.092 0.623 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.665 -2.645 -0.380 1.00 10.83 H new ATOM 56 N PHE A 4 4.530 -7.270 2.651 1.00 4.55 N ATOM 57 CA PHE A 4 3.297 -7.860 3.306 1.00 4.68 C ATOM 58 C PHE A 4 2.345 -6.712 3.770 1.00 5.30 C ATOM 59 O PHE A 4 2.625 -5.801 4.570 1.00 5.58 O ATOM 60 CB PHE A 4 3.591 -8.734 4.613 1.00 4.83 C ATOM 61 CG PHE A 4 4.559 -9.908 4.302 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.381 -10.764 3.216 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.670 -10.106 5.201 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.291 -11.869 3.058 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.520 -11.178 4.953 1.00 10.61 C ATOM 66 CZ PHE A 4 6.370 -12.039 3.895 1.00 8.90 C ATOM 0 H PHE A 4 5.154 -6.803 3.309 1.00 4.55 H new ATOM 0 HA PHE A 4 2.863 -8.506 2.543 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.022 -8.100 5.387 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.654 -9.127 5.008 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.580 -10.602 2.510 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.836 -9.444 6.038 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.123 -12.581 2.264 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.344 -11.342 5.631 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.083 -12.832 3.723 1.00 8.90 H new ATOM 76 N VAL A 5 1.116 -6.663 3.214 1.00 4.44 N ATOM 77 CA VAL A 5 0.120 -5.679 3.535 1.00 3.87 C ATOM 78 C VAL A 5 -1.058 -6.338 4.131 1.00 4.93 C ATOM 79 O VAL A 5 -1.648 -7.234 3.620 1.00 6.84 O ATOM 80 CB VAL A 5 -0.368 -4.960 2.271 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.495 -3.927 2.596 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.858 -4.212 1.640 1.00 9.13 C ATOM 0 H VAL A 5 0.804 -7.335 2.513 1.00 4.44 H new ATOM 0 HA VAL A 5 0.574 -4.968 4.225 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.783 -5.694 1.580 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.816 -3.437 1.677 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.343 -4.443 3.047 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.114 -3.179 3.291 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.541 -3.690 0.737 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.252 -3.491 2.356 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.634 -4.934 1.388 1.00 9.13 H new ATOM 92 N LYS A 6 -1.361 -5.913 5.390 1.00 6.04 N ATOM 93 CA LYS A 6 -2.442 -6.524 6.216 1.00 6.12 C ATOM 94 C LYS A 6 -3.649 -5.679 5.938 1.00 6.57 C ATOM 95 O LYS A 6 -3.573 -4.452 5.917 1.00 5.76 O ATOM 96 CB LYS A 6 -2.213 -6.427 7.793 1.00 7.45 C ATOM 97 CG LYS A 6 -0.966 -7.043 8.316 1.00 11.12 C ATOM 98 CD LYS A 6 -1.017 -8.584 8.437 1.00 14.54 C ATOM 99 CE LYS A 6 0.390 -9.174 8.686 1.00 18.84 C ATOM 100 NZ LYS A 6 0.316 -10.666 8.891 1.00 20.55 N ATOM 0 H LYS A 6 -0.871 -5.149 5.855 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.507 -7.582 5.962 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.219 -5.374 8.076 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.061 -6.896 8.291 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.138 -6.769 7.662 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.750 -6.621 9.297 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.681 -8.865 9.254 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.436 -9.009 7.525 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.038 -8.950 7.839 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.837 -8.704 9.562 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.278 -11.053 8.972 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.214 -10.871 9.762 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.167 -11.104 8.081 1.00 20.55 H new ATOM 114 N THR A 7 -4.770 -6.358 5.673 1.00 7.41 N ATOM 115 CA THR A 7 -6.024 -5.605 5.514 1.00 7.48 C ATOM 116 C THR A 7 -6.713 -5.349 6.909 1.00 8.75 C ATOM 117 O THR A 7 -6.115 -5.546 7.992 1.00 8.58 O ATOM 118 CB THR A 7 -7.004 -6.301 4.609 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.532 -7.491 5.116 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.372 -6.509 3.265 1.00 9.17 C ATOM 0 H THR A 7 -4.841 -7.370 5.568 1.00 7.41 H new ATOM 0 HA THR A 7 -5.748 -4.655 5.056 1.00 7.48 H new ATOM 0 HB THR A 7 -7.869 -5.644 4.524 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.158 -7.874 4.467 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.078 -7.013 2.605 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.101 -5.544 2.837 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.477 -7.121 3.375 1.00 9.17 H new ATOM 128 N LEU A 8 -7.907 -4.734 6.925 1.00 9.84 N ATOM 129 CA LEU A 8 -8.594 -4.445 8.183 1.00 14.15 C ATOM 130 C LEU A 8 -9.085 -5.750 8.850 1.00 17.37 C ATOM 131 O LEU A 8 -9.227 -5.956 10.075 1.00 17.01 O ATOM 132 CB LEU A 8 -9.910 -3.677 7.991 1.00 16.63 C ATOM 133 CG LEU A 8 -9.776 -2.204 7.490 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.080 -1.501 7.431 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.854 -1.434 8.408 1.00 18.59 C ATOM 0 H LEU A 8 -8.407 -4.433 6.089 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.861 -3.881 8.759 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.528 -4.227 7.281 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.445 -3.670 8.941 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.371 -2.250 6.479 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.928 -0.482 7.076 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.746 -2.027 6.748 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.526 -1.477 8.425 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.763 -0.407 8.055 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.262 -1.435 9.419 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.870 -1.904 8.414 1.00 18.59 H new ATOM 147 N THR A 9 -9.227 -6.827 8.070 1.00 18.33 N ATOM 148 CA THR A 9 -9.734 -8.095 8.517 1.00 19.24 C ATOM 149 C THR A 9 -8.527 -8.911 8.817 1.00 19.48 C ATOM 150 O THR A 9 -8.668 -10.097 9.214 1.00 23.14 O ATOM 151 CB THR A 9 -10.652 -8.812 7.593 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.065 -9.014 6.371 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.892 -7.972 7.370 1.00 19.70 C ATOM 0 H THR A 9 -8.979 -6.823 7.081 1.00 18.33 H new ATOM 0 HA THR A 9 -10.379 -7.920 9.378 1.00 19.24 H new ATOM 0 HB THR A 9 -10.897 -9.774 8.044 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.689 -9.489 5.783 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.568 -8.494 6.693 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.393 -7.802 8.323 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.609 -7.014 6.933 1.00 19.70 H new ATOM 161 N GLY A 10 -7.285 -8.365 8.700 1.00 19.43 N ATOM 162 CA GLY A 10 -6.077 -9.105 9.161 1.00 18.74 C ATOM 163 C GLY A 10 -5.539 -10.000 8.036 1.00 17.62 C ATOM 164 O GLY A 10 -4.460 -10.590 8.246 1.00 19.74 O ATOM 0 H GLY A 10 -7.096 -7.444 8.303 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.307 -8.399 9.473 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.325 -9.713 10.031 1.00 18.74 H new ATOM 168 N LYS A 11 -6.232 -10.117 6.902 1.00 13.56 N ATOM 169 CA LYS A 11 -5.714 -10.929 5.779 1.00 11.91 C ATOM 170 C LYS A 11 -4.310 -10.419 5.409 1.00 10.18 C ATOM 171 O LYS A 11 -4.091 -9.192 5.651 1.00 9.10 O ATOM 172 CB LYS A 11 -6.549 -10.731 4.528 1.00 13.43 C ATOM 173 CG LYS A 11 -6.325 -11.714 3.430 1.00 16.69 C ATOM 174 CD LYS A 11 -7.136 -11.454 2.131 1.00 17.92 C ATOM 175 CE LYS A 11 -7.108 -12.664 1.203 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.110 -12.562 0.103 1.00 21.93 N ATOM 0 H LYS A 11 -7.134 -9.674 6.730 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.726 -11.972 6.095 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.602 -10.764 4.809 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.354 -9.732 4.139 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.264 -11.720 3.181 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.572 -12.709 3.800 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.168 -11.214 2.387 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.727 -10.587 1.613 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.111 -12.766 0.774 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.300 -13.567 1.782 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.692 -12.916 -0.781 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.947 -13.130 0.342 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.390 -11.568 -0.020 1.00 21.93 H new ATOM 190 N THR A 12 -3.445 -11.245 4.854 1.00 9.63 N ATOM 191 CA THR A 12 -2.139 -10.772 4.343 1.00 9.85 C ATOM 192 C THR A 12 -2.028 -10.765 2.802 1.00 11.66 C ATOM 193 O THR A 12 -2.162 -11.753 2.134 1.00 12.33 O ATOM 194 CB THR A 12 -0.982 -11.577 4.956 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.134 -11.689 6.359 1.00 10.91 O ATOM 196 CG2 THR A 12 0.396 -10.976 4.651 1.00 9.63 C ATOM 0 H THR A 12 -3.606 -12.245 4.738 1.00 9.63 H new ATOM 0 HA THR A 12 -2.067 -9.731 4.657 1.00 9.85 H new ATOM 0 HB THR A 12 -1.027 -12.562 4.492 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.601 -12.443 6.687 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.171 -11.590 5.111 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.549 -10.947 3.572 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.449 -9.964 5.053 1.00 9.63 H new ATOM 204 N ILE A 13 -1.696 -9.548 2.244 1.00 10.42 N ATOM 205 CA ILE A 13 -1.523 -9.425 0.817 1.00 11.84 C ATOM 206 C ILE A 13 -0.052 -9.420 0.617 1.00 10.55 C ATOM 207 O ILE A 13 0.675 -8.713 1.325 1.00 11.92 O ATOM 208 CB ILE A 13 -2.150 -8.167 0.273 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.562 -7.905 0.859 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.115 -8.230 -1.330 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.619 -9.067 0.801 1.00 16.46 C ATOM 0 H ILE A 13 -1.555 -8.687 2.772 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.015 -10.239 0.284 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.570 -7.301 0.593 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.441 -7.617 1.903 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.984 -7.045 0.339 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.566 -7.326 -1.740 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.082 -8.306 -1.669 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.674 -9.101 -1.672 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.554 -8.731 1.249 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.794 -9.348 -0.237 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.243 -9.929 1.352 1.00 16.46 H new ATOM 223 N THR A 14 0.413 -10.259 -0.315 1.00 9.39 N ATOM 224 CA THR A 14 1.859 -10.333 -0.524 1.00 9.63 C ATOM 225 C THR A 14 2.151 -9.785 -1.875 1.00 11.20 C ATOM 226 O THR A 14 1.566 -10.170 -2.860 1.00 11.63 O ATOM 227 CB THR A 14 2.258 -11.765 -0.491 1.00 10.38 C ATOM 228 OG1 THR A 14 2.248 -12.283 0.821 1.00 16.30 O ATOM 229 CG2 THR A 14 3.738 -11.952 -0.948 1.00 11.66 C ATOM 0 H THR A 14 -0.156 -10.865 -0.906 1.00 9.39 H new ATOM 0 HA THR A 14 2.398 -9.774 0.241 1.00 9.63 H new ATOM 0 HB THR A 14 1.545 -12.269 -1.143 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.514 -13.226 0.802 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.999 -13.010 -0.913 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.853 -11.584 -1.967 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.397 -11.393 -0.284 1.00 11.66 H new ATOM 237 N LEU A 15 3.111 -8.820 -1.971 1.00 8.29 N ATOM 238 CA LEU A 15 3.311 -8.080 -3.193 1.00 9.03 C ATOM 239 C LEU A 15 4.793 -8.146 -3.518 1.00 8.59 C ATOM 240 O LEU A 15 5.665 -7.712 -2.820 1.00 7.79 O ATOM 241 CB LEU A 15 2.906 -6.585 -2.983 1.00 11.08 C ATOM 242 CG LEU A 15 1.467 -6.382 -2.556 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.419 -4.994 -1.964 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.545 -6.454 -3.745 1.00 15.27 C ATOM 0 H LEU A 15 3.738 -8.559 -1.210 1.00 8.29 H new ATOM 0 HA LEU A 15 2.706 -8.499 -3.997 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.561 -6.146 -2.231 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.077 -6.041 -3.912 1.00 11.08 H new ATOM 0 HG LEU A 15 1.149 -7.149 -1.850 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.404 -4.775 -1.631 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.100 -4.937 -1.115 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.718 -4.266 -2.718 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.484 -6.306 -3.417 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.813 -5.677 -4.461 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.638 -7.431 -4.219 1.00 15.27 H new ATOM 256 N GLU A 16 5.044 -8.677 -4.725 1.00 11.04 N ATOM 257 CA GLU A 16 6.294 -8.505 -5.396 1.00 11.50 C ATOM 258 C GLU A 16 6.360 -7.130 -5.971 1.00 10.13 C ATOM 259 O GLU A 16 5.878 -6.902 -7.087 1.00 9.83 O ATOM 260 CB GLU A 16 6.557 -9.555 -6.482 1.00 17.22 C ATOM 261 CG GLU A 16 7.881 -9.664 -7.186 1.00 23.33 C ATOM 262 CD GLU A 16 9.047 -9.946 -6.239 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.005 -10.716 -5.263 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.133 -9.413 -6.484 1.00 28.90 O ATOM 0 H GLU A 16 4.368 -9.236 -5.245 1.00 11.04 H new ATOM 0 HA GLU A 16 7.079 -8.644 -4.653 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.360 -10.528 -6.032 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.803 -9.403 -7.254 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.825 -10.459 -7.929 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.076 -8.737 -7.725 1.00 23.33 H new ATOM 271 N VAL A 17 6.981 -6.136 -5.292 1.00 8.99 N ATOM 272 CA VAL A 17 7.078 -4.755 -5.712 1.00 8.85 C ATOM 273 C VAL A 17 8.550 -4.446 -5.898 1.00 8.04 C ATOM 274 O VAL A 17 9.454 -5.279 -5.691 1.00 8.99 O ATOM 275 CB VAL A 17 6.649 -3.768 -4.565 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.120 -3.894 -4.333 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.384 -4.064 -3.273 1.00 10.54 C ATOM 0 H VAL A 17 7.443 -6.304 -4.398 1.00 8.99 H new ATOM 0 HA VAL A 17 6.454 -4.633 -6.598 1.00 8.85 H new ATOM 0 HB VAL A 17 6.905 -2.754 -4.871 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.815 -3.212 -3.539 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.591 -3.641 -5.252 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.879 -4.917 -4.045 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.063 -3.363 -2.503 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.161 -5.082 -2.953 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.457 -3.960 -3.433 1.00 10.54 H new ATOM 287 N GLU A 18 8.855 -3.244 -6.444 1.00 7.29 N ATOM 288 CA GLU A 18 10.204 -2.787 -6.722 1.00 7.08 C ATOM 289 C GLU A 18 10.323 -1.421 -6.085 1.00 6.45 C ATOM 290 O GLU A 18 9.354 -0.665 -6.164 1.00 5.28 O ATOM 291 CB GLU A 18 10.658 -2.665 -8.257 1.00 10.28 C ATOM 292 CG GLU A 18 10.890 -4.020 -9.065 1.00 12.65 C ATOM 293 CD GLU A 18 10.950 -3.650 -10.557 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.032 -3.337 -11.070 1.00 18.17 O ATOM 295 OE2 GLU A 18 9.881 -3.791 -11.239 1.00 14.33 O ATOM 0 H GLU A 18 8.141 -2.563 -6.703 1.00 7.29 H new ATOM 0 HA GLU A 18 10.863 -3.558 -6.324 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.903 -2.083 -8.786 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.584 -2.091 -8.289 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.815 -4.503 -8.750 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.081 -4.726 -8.875 1.00 12.65 H new ATOM 302 N PRO A 19 11.431 -0.947 -5.513 1.00 7.24 N ATOM 303 CA PRO A 19 11.763 0.427 -5.016 1.00 7.07 C ATOM 304 C PRO A 19 11.300 1.609 -5.811 1.00 6.65 C ATOM 305 O PRO A 19 10.928 2.609 -5.202 1.00 6.37 O ATOM 306 CB PRO A 19 13.317 0.338 -4.973 1.00 7.61 C ATOM 307 CG PRO A 19 13.573 -1.128 -4.522 1.00 8.16 C ATOM 308 CD PRO A 19 12.572 -1.816 -5.340 1.00 7.49 C ATOM 0 HA PRO A 19 11.240 0.634 -4.082 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.760 0.543 -5.948 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.743 1.056 -4.272 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.589 -1.460 -4.737 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.410 -1.271 -3.454 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.995 -2.081 -6.309 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.268 -2.746 -4.860 1.00 7.49 H new ATOM 316 N SER A 20 11.438 1.509 -7.170 1.00 6.80 N ATOM 317 CA SER A 20 11.021 2.642 -7.980 1.00 6.28 C ATOM 318 C SER A 20 9.505 2.632 -8.349 1.00 8.45 C ATOM 319 O SER A 20 9.041 3.513 -9.059 1.00 7.26 O ATOM 320 CB SER A 20 11.762 2.778 -9.374 1.00 8.57 C ATOM 321 OG SER A 20 13.155 2.579 -9.169 1.00 11.13 O ATOM 0 H SER A 20 11.810 0.705 -7.676 1.00 6.80 H new ATOM 0 HA SER A 20 11.278 3.470 -7.319 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.375 2.044 -10.081 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.580 3.763 -9.805 1.00 8.57 H new ATOM 0 HG SER A 20 13.626 2.659 -10.025 1.00 11.13 H new ATOM 327 N ASP A 21 8.746 1.604 -7.957 1.00 7.50 N ATOM 328 CA ASP A 21 7.311 1.546 -7.876 1.00 7.70 C ATOM 329 C ASP A 21 6.701 2.643 -7.012 1.00 7.08 C ATOM 330 O ASP A 21 7.175 2.881 -5.921 1.00 8.11 O ATOM 331 CB ASP A 21 6.738 0.179 -7.394 1.00 11.00 C ATOM 332 CG ASP A 21 7.066 -1.021 -8.285 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.545 -0.833 -9.439 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.676 -2.139 -7.863 1.00 18.03 O ATOM 0 H ASP A 21 9.171 0.724 -7.667 1.00 7.50 H new ATOM 0 HA ASP A 21 7.020 1.694 -8.916 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.116 -0.021 -6.391 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.654 0.266 -7.315 1.00 11.00 H new ATOM 339 N THR A 22 5.575 3.267 -7.403 1.00 5.37 N ATOM 340 CA THR A 22 4.950 4.264 -6.564 1.00 6.01 C ATOM 341 C THR A 22 3.938 3.647 -5.592 1.00 8.01 C ATOM 342 O THR A 22 3.530 2.473 -5.727 1.00 8.11 O ATOM 343 CB THR A 22 4.253 5.509 -7.255 1.00 8.92 C ATOM 344 OG1 THR A 22 3.157 5.084 -8.063 1.00 10.22 O ATOM 345 CG2 THR A 22 5.306 6.125 -8.137 1.00 9.65 C ATOM 0 H THR A 22 5.096 3.091 -8.286 1.00 5.37 H new ATOM 0 HA THR A 22 5.828 4.668 -6.061 1.00 6.01 H new ATOM 0 HB THR A 22 3.869 6.208 -6.512 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.737 5.864 -8.481 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.891 6.994 -8.647 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.156 6.433 -7.528 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.635 5.394 -8.876 1.00 9.65 H new ATOM 353 N ILE A 23 3.536 4.371 -4.480 1.00 8.32 N ATOM 354 CA ILE A 23 2.517 3.955 -3.577 1.00 9.92 C ATOM 355 C ILE A 23 1.111 3.686 -4.194 1.00 10.01 C ATOM 356 O ILE A 23 0.445 2.694 -3.898 1.00 8.71 O ATOM 357 CB ILE A 23 2.544 4.960 -2.429 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.952 5.163 -1.761 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.580 4.539 -1.332 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.560 3.934 -0.973 1.00 12.30 C ATOM 0 H ILE A 23 3.952 5.268 -4.229 1.00 8.32 H new ATOM 0 HA ILE A 23 2.735 2.949 -3.218 1.00 9.92 H new ATOM 0 HB ILE A 23 2.258 5.905 -2.891 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.658 5.448 -2.541 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.881 6.005 -1.072 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.612 5.267 -0.521 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.569 4.489 -1.736 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.867 3.559 -0.952 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.532 4.209 -0.563 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.889 3.655 -0.160 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.678 3.089 -1.652 1.00 12.30 H new ATOM 372 N GLU A 24 0.768 4.566 -5.133 1.00 9.54 N ATOM 373 CA GLU A 24 -0.281 4.419 -6.075 1.00 11.81 C ATOM 374 C GLU A 24 -0.158 3.277 -7.051 1.00 11.14 C ATOM 375 O GLU A 24 -1.127 2.621 -7.417 1.00 10.62 O ATOM 376 CB GLU A 24 -0.491 5.764 -6.836 1.00 19.24 C ATOM 377 CG GLU A 24 -1.809 5.786 -7.744 1.00 27.76 C ATOM 378 CD GLU A 24 -1.991 7.167 -8.303 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.376 8.139 -7.558 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.752 7.329 -9.529 1.00 34.80 O ATOM 0 H GLU A 24 1.264 5.451 -5.242 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.153 4.154 -5.477 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.545 6.577 -6.112 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.378 5.955 -7.466 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.722 5.060 -8.553 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.679 5.501 -7.153 1.00 27.76 H new ATOM 387 N ASN A 25 1.056 2.942 -7.510 1.00 9.43 N ATOM 388 CA ASN A 25 1.368 1.748 -8.265 1.00 10.96 C ATOM 389 C ASN A 25 1.100 0.456 -7.453 1.00 9.68 C ATOM 390 O ASN A 25 0.675 -0.560 -8.008 1.00 9.33 O ATOM 391 CB ASN A 25 2.815 1.773 -8.886 1.00 16.78 C ATOM 392 CG ASN A 25 3.002 0.661 -9.872 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.598 -0.412 -9.655 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.608 0.886 -11.166 1.00 24.70 N ATOM 0 H ASN A 25 1.874 3.530 -7.351 1.00 9.43 H new ATOM 0 HA ASN A 25 0.680 1.739 -9.110 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.986 2.731 -9.378 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.556 1.686 -8.091 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.807 0.193 -11.888 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.116 1.746 -11.407 1.00 24.70 H new ATOM 401 N VAL A 26 1.408 0.521 -6.186 1.00 6.52 N ATOM 402 CA VAL A 26 1.164 -0.544 -5.205 1.00 5.53 C ATOM 403 C VAL A 26 -0.299 -0.811 -5.100 1.00 4.42 C ATOM 404 O VAL A 26 -0.756 -1.942 -5.001 1.00 3.40 O ATOM 405 CB VAL A 26 1.838 -0.353 -3.871 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.464 -1.607 -3.057 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.339 -0.251 -4.068 1.00 8.12 C ATOM 0 H VAL A 26 1.854 1.342 -5.776 1.00 6.52 H new ATOM 0 HA VAL A 26 1.653 -1.440 -5.588 1.00 5.53 H new ATOM 0 HB VAL A 26 1.525 0.559 -3.362 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.917 -1.547 -2.067 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.380 -1.666 -2.957 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.830 -2.496 -3.570 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.824 -0.113 -3.102 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.708 -1.166 -4.532 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.565 0.599 -4.712 1.00 8.12 H new ATOM 417 N LYS A 27 -1.104 0.269 -5.112 1.00 2.64 N ATOM 418 CA LYS A 27 -2.561 0.141 -5.197 1.00 4.14 C ATOM 419 C LYS A 27 -3.165 -0.522 -6.419 1.00 5.58 C ATOM 420 O LYS A 27 -4.185 -1.202 -6.332 1.00 4.11 O ATOM 421 CB LYS A 27 -3.254 1.499 -5.003 1.00 3.97 C ATOM 422 CG LYS A 27 -3.088 2.192 -3.582 1.00 7.45 C ATOM 423 CD LYS A 27 -3.598 3.636 -3.510 1.00 9.02 C ATOM 424 CE LYS A 27 -3.279 4.304 -2.168 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.804 5.689 -2.039 1.00 15.47 N ATOM 0 H LYS A 27 -0.768 1.231 -5.064 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.751 -0.558 -4.382 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.876 2.185 -5.761 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.319 1.367 -5.194 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.618 1.596 -2.838 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.033 2.180 -3.308 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.151 4.217 -4.317 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.676 3.646 -3.670 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.691 3.694 -1.364 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.198 4.323 -2.032 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.730 5.997 -1.049 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.249 6.328 -2.643 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.801 5.711 -2.335 1.00 15.47 H new ATOM 439 N ALA A 28 -2.579 -0.371 -7.633 1.00 6.61 N ATOM 440 CA ALA A 28 -2.874 -1.154 -8.852 1.00 7.74 C ATOM 441 C ALA A 28 -2.625 -2.602 -8.614 1.00 9.17 C ATOM 442 O ALA A 28 -3.379 -3.425 -9.051 1.00 11.45 O ATOM 443 CB ALA A 28 -2.041 -0.529 -10.052 1.00 7.68 C ATOM 0 H ALA A 28 -1.857 0.331 -7.793 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.928 -1.095 -9.123 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.241 -1.090 -10.965 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.332 0.512 -10.194 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.977 -0.579 -9.821 1.00 7.68 H new ATOM 449 N LYS A 29 -1.548 -2.982 -7.911 1.00 8.96 N ATOM 450 CA LYS A 29 -1.272 -4.362 -7.517 1.00 7.90 C ATOM 451 C LYS A 29 -2.111 -5.002 -6.461 1.00 6.92 C ATOM 452 O LYS A 29 -2.554 -6.164 -6.579 1.00 6.87 O ATOM 453 CB LYS A 29 0.182 -4.427 -7.167 1.00 10.28 C ATOM 454 CG LYS A 29 0.809 -5.856 -7.206 1.00 14.94 C ATOM 455 CD LYS A 29 2.360 -5.861 -7.270 1.00 19.69 C ATOM 456 CE LYS A 29 2.928 -6.053 -8.722 1.00 22.63 C ATOM 457 NZ LYS A 29 2.822 -4.806 -9.507 1.00 24.98 N ATOM 0 H LYS A 29 -0.835 -2.324 -7.597 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.555 -4.967 -8.378 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.734 -3.786 -7.854 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.318 -4.015 -6.167 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.490 -6.406 -6.321 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.418 -6.390 -8.072 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.735 -4.922 -6.863 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.739 -6.659 -6.632 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.971 -6.365 -8.669 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.382 -6.851 -9.226 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.205 -4.963 -10.461 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.824 -4.523 -9.577 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.363 -4.053 -9.037 1.00 24.98 H new ATOM 471 N ILE A 30 -2.453 -4.325 -5.332 1.00 4.57 N ATOM 472 CA ILE A 30 -3.579 -4.618 -4.482 1.00 5.58 C ATOM 473 C ILE A 30 -5.011 -4.673 -5.146 1.00 7.26 C ATOM 474 O ILE A 30 -5.871 -5.472 -4.816 1.00 9.46 O ATOM 475 CB ILE A 30 -3.502 -3.789 -3.258 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.166 -4.063 -2.458 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.807 -4.019 -2.378 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.943 -2.943 -1.369 1.00 2.00 C ATOM 0 H ILE A 30 -1.910 -3.529 -4.998 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.473 -5.670 -4.217 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.469 -2.736 -3.537 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.214 -5.041 -1.979 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.320 -4.086 -3.145 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.750 -3.409 -1.477 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.688 -3.736 -2.953 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.878 -5.071 -2.100 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.020 -3.143 -0.825 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.874 -1.970 -1.856 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.781 -2.941 -0.672 1.00 2.00 H new ATOM 490 N GLN A 31 -5.267 -3.840 -6.198 1.00 7.06 N ATOM 491 CA GLN A 31 -6.493 -3.973 -7.061 1.00 8.67 C ATOM 492 C GLN A 31 -6.480 -5.268 -7.918 1.00 10.90 C ATOM 493 O GLN A 31 -7.507 -5.984 -7.960 1.00 9.63 O ATOM 494 CB GLN A 31 -6.542 -2.813 -8.055 1.00 9.12 C ATOM 495 CG GLN A 31 -7.889 -2.686 -8.747 1.00 10.76 C ATOM 496 CD GLN A 31 -8.035 -1.415 -9.556 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.122 -0.773 -9.421 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.018 -1.057 -10.424 1.00 14.76 N ATOM 0 H GLN A 31 -4.650 -3.075 -6.471 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.346 -3.987 -6.383 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.318 -1.883 -7.532 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.764 -2.951 -8.806 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.033 -3.544 -9.404 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.679 -2.722 -7.997 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.171 -1.623 -10.478 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.115 -0.227 -11.009 1.00 14.76 H new ATOM 507 N ASP A 32 -5.311 -5.793 -8.514 1.00 10.93 N ATOM 508 CA ASP A 32 -5.144 -7.116 -9.086 1.00 14.01 C ATOM 509 C ASP A 32 -5.444 -8.204 -8.110 1.00 14.04 C ATOM 510 O ASP A 32 -6.095 -9.157 -8.375 1.00 13.39 O ATOM 511 CB ASP A 32 -3.704 -7.325 -9.603 1.00 18.01 C ATOM 512 CG ASP A 32 -3.404 -6.416 -10.802 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.304 -5.857 -11.446 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.234 -6.398 -11.187 1.00 26.29 O ATOM 0 H ASP A 32 -4.458 -5.238 -8.583 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.856 -7.171 -9.910 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.994 -7.119 -8.802 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.566 -8.367 -9.891 1.00 18.01 H new ATOM 519 N LYS A 33 -4.937 -8.099 -6.905 1.00 14.22 N ATOM 520 CA LYS A 33 -5.016 -9.063 -5.854 1.00 14.00 C ATOM 521 C LYS A 33 -6.431 -9.220 -5.240 1.00 12.37 C ATOM 522 O LYS A 33 -6.977 -10.316 -5.254 1.00 12.17 O ATOM 523 CB LYS A 33 -4.127 -8.608 -4.754 1.00 18.62 C ATOM 524 CG LYS A 33 -2.678 -8.866 -4.993 1.00 24.00 C ATOM 525 CD LYS A 33 -2.295 -10.328 -4.582 1.00 27.61 C ATOM 526 CE LYS A 33 -0.852 -10.601 -4.884 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.560 -11.993 -4.351 1.00 30.06 N ATOM 0 H LYS A 33 -4.419 -7.268 -6.620 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.734 -10.021 -6.290 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.274 -7.539 -4.602 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.426 -9.105 -3.831 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.445 -8.707 -6.046 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.079 -8.155 -4.423 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.483 -10.473 -3.518 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.925 -11.039 -5.117 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.662 -10.548 -5.956 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.209 -9.860 -4.409 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.214 -11.944 -3.658 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.412 -12.375 -3.893 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.282 -12.614 -5.137 1.00 30.06 H new ATOM 541 N GLU A 34 -7.073 -8.117 -4.667 1.00 10.11 N ATOM 542 CA GLU A 34 -8.295 -8.197 -3.880 1.00 10.07 C ATOM 543 C GLU A 34 -9.430 -7.360 -4.451 1.00 9.32 C ATOM 544 O GLU A 34 -10.521 -7.400 -3.883 1.00 11.61 O ATOM 545 CB GLU A 34 -8.021 -7.658 -2.468 1.00 14.77 C ATOM 546 CG GLU A 34 -6.993 -8.566 -1.704 1.00 18.75 C ATOM 547 CD GLU A 34 -7.416 -9.947 -1.611 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.583 -10.308 -1.279 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.538 -10.873 -1.732 1.00 21.95 O ATOM 0 H GLU A 34 -6.721 -7.165 -4.764 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.593 -9.245 -3.884 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.634 -6.641 -2.533 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.954 -7.609 -1.907 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.030 -8.521 -2.212 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.843 -8.170 -0.700 1.00 18.75 H new ATOM 556 N GLY A 35 -9.367 -6.623 -5.551 1.00 7.22 N ATOM 557 CA GLY A 35 -10.465 -5.872 -6.218 1.00 6.29 C ATOM 558 C GLY A 35 -10.991 -4.690 -5.394 1.00 6.93 C ATOM 559 O GLY A 35 -12.197 -4.668 -5.097 1.00 7.41 O ATOM 0 H GLY A 35 -8.486 -6.515 -6.053 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.109 -5.503 -7.180 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.289 -6.556 -6.423 1.00 6.29 H new ATOM 563 N ILE A 36 -10.020 -3.860 -4.930 1.00 5.86 N ATOM 564 CA ILE A 36 -10.317 -2.699 -4.143 1.00 6.07 C ATOM 565 C ILE A 36 -9.692 -1.613 -4.984 1.00 6.36 C ATOM 566 O ILE A 36 -8.515 -1.718 -5.313 1.00 6.18 O ATOM 567 CB ILE A 36 -9.626 -2.663 -2.743 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.042 -3.921 -1.974 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.160 -1.383 -2.054 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.212 -4.144 -0.672 1.00 9.49 C ATOM 0 H ILE A 36 -9.025 -4.001 -5.105 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.384 -2.632 -3.933 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.537 -2.645 -2.795 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.099 -3.849 -1.716 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.930 -4.790 -2.623 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.716 -1.291 -1.063 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.896 -0.511 -2.652 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.244 -1.445 -1.962 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.555 -5.050 -0.173 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.157 -4.246 -0.926 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.344 -3.291 -0.006 1.00 9.49 H new ATOM 582 N PRO A 37 -10.393 -0.553 -5.366 1.00 8.65 N ATOM 583 CA PRO A 37 -9.879 0.495 -6.230 1.00 9.18 C ATOM 584 C PRO A 37 -8.765 1.341 -5.577 1.00 9.85 C ATOM 585 O PRO A 37 -8.780 1.428 -4.379 1.00 8.51 O ATOM 586 CB PRO A 37 -11.060 1.429 -6.438 1.00 11.42 C ATOM 587 CG PRO A 37 -12.270 0.531 -6.336 1.00 9.27 C ATOM 588 CD PRO A 37 -11.853 -0.602 -5.337 1.00 8.33 C ATOM 0 HA PRO A 37 -9.461 0.045 -7.130 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.083 2.215 -5.683 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.011 1.922 -7.409 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.138 1.079 -5.970 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.539 0.120 -7.309 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.242 -0.419 -4.335 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.229 -1.575 -5.652 1.00 8.33 H new ATOM 596 N PRO A 38 -7.784 1.996 -6.339 1.00 8.71 N ATOM 597 CA PRO A 38 -6.891 2.991 -5.736 1.00 9.08 C ATOM 598 C PRO A 38 -7.601 4.208 -5.099 1.00 9.28 C ATOM 599 O PRO A 38 -6.989 4.739 -4.213 1.00 6.50 O ATOM 600 CB PRO A 38 -5.900 3.304 -6.921 1.00 10.31 C ATOM 601 CG PRO A 38 -5.859 1.981 -7.680 1.00 10.81 C ATOM 602 CD PRO A 38 -7.251 1.460 -7.546 1.00 12.00 C ATOM 0 HA PRO A 38 -6.372 2.628 -4.849 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.262 4.119 -7.547 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.914 3.594 -6.559 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.583 2.126 -8.725 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.130 1.294 -7.250 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.858 1.758 -8.401 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.253 0.370 -7.518 1.00 12.00 H new ATOM 610 N ASP A 39 -8.904 4.434 -5.421 1.00 11.20 N ATOM 611 CA ASP A 39 -9.748 5.485 -4.783 1.00 14.96 C ATOM 612 C ASP A 39 -10.206 5.026 -3.407 1.00 13.99 C ATOM 613 O ASP A 39 -10.398 5.796 -2.481 1.00 13.75 O ATOM 614 CB ASP A 39 -10.982 5.998 -5.504 1.00 24.16 C ATOM 615 CG ASP A 39 -10.639 6.813 -6.704 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.427 6.288 -7.827 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.539 8.041 -6.563 1.00 34.22 O ATOM 0 H ASP A 39 -9.399 3.893 -6.130 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.057 6.328 -4.785 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.601 5.153 -5.806 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.577 6.600 -4.817 1.00 24.16 H new ATOM 622 N GLN A 40 -10.251 3.706 -3.081 1.00 11.60 N ATOM 623 CA GLN A 40 -10.760 3.190 -1.840 1.00 10.76 C ATOM 624 C GLN A 40 -9.638 2.632 -1.022 1.00 8.01 C ATOM 625 O GLN A 40 -9.915 2.224 0.121 1.00 8.96 O ATOM 626 CB GLN A 40 -11.758 2.125 -1.970 1.00 11.14 C ATOM 627 CG GLN A 40 -13.149 2.588 -2.428 1.00 14.85 C ATOM 628 CD GLN A 40 -14.246 1.607 -2.163 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.705 0.894 -3.070 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.735 1.465 -0.889 1.00 18.16 N ATOM 0 H GLN A 40 -9.919 2.975 -3.710 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.248 4.045 -1.372 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.387 1.385 -2.679 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.858 1.623 -1.008 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.389 3.526 -1.928 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.115 2.796 -3.497 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.367 2.044 -0.134 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.466 0.780 -0.697 1.00 18.16 H new ATOM 639 N GLN A 41 -8.404 2.670 -1.500 1.00 6.52 N ATOM 640 CA GLN A 41 -7.332 2.302 -0.597 1.00 3.87 C ATOM 641 C GLN A 41 -6.659 3.507 0.119 1.00 4.79 C ATOM 642 O GLN A 41 -6.360 4.532 -0.531 1.00 6.34 O ATOM 643 CB GLN A 41 -6.242 1.487 -1.318 1.00 4.20 C ATOM 644 CG GLN A 41 -6.781 0.246 -2.034 1.00 3.20 C ATOM 645 CD GLN A 41 -5.659 -0.472 -2.833 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.547 -0.543 -2.382 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.951 -0.908 -4.094 1.00 7.13 N ATOM 0 H GLN A 41 -8.132 2.934 -2.447 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.818 1.696 0.168 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.742 2.127 -2.044 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.489 1.180 -0.592 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.208 -0.441 -1.304 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.586 0.534 -2.710 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.904 -0.835 -4.451 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.216 -1.306 -4.679 1.00 7.13 H new ATOM 656 N ARG A 42 -6.420 3.360 1.419 1.00 5.73 N ATOM 657 CA ARG A 42 -5.442 4.171 2.072 1.00 6.97 C ATOM 658 C ARG A 42 -4.346 3.319 2.571 1.00 7.15 C ATOM 659 O ARG A 42 -4.598 2.160 2.945 1.00 7.33 O ATOM 660 CB ARG A 42 -6.112 5.007 3.183 1.00 13.23 C ATOM 661 CG ARG A 42 -6.604 6.421 2.834 1.00 21.27 C ATOM 662 CD ARG A 42 -7.032 7.265 3.982 1.00 26.14 C ATOM 663 NE ARG A 42 -7.291 8.658 3.496 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.168 9.583 3.888 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.109 9.316 4.755 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.124 10.827 3.298 1.00 36.39 N ATOM 0 H ARG A 42 -6.894 2.688 2.022 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.002 4.878 1.368 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.965 4.441 3.557 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.403 5.095 4.006 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.806 6.941 2.304 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.441 6.332 2.142 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.932 6.852 4.437 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.260 7.273 4.752 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.688 8.952 2.727 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.187 8.379 5.151 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.765 10.044 5.036 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.430 11.025 2.577 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.785 11.550 3.582 1.00 36.39 H new ATOM 680 N LEU A 43 -3.089 3.858 2.536 1.00 4.65 N ATOM 681 CA LEU A 43 -1.900 3.154 2.837 1.00 3.51 C ATOM 682 C LEU A 43 -1.111 3.890 3.958 1.00 5.56 C ATOM 683 O LEU A 43 -0.868 5.128 4.036 1.00 4.19 O ATOM 684 CB LEU A 43 -1.047 2.763 1.535 1.00 3.74 C ATOM 685 CG LEU A 43 -1.699 1.822 0.506 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.835 1.631 -0.725 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.066 0.398 0.957 1.00 6.41 C ATOM 0 H LEU A 43 -2.920 4.832 2.283 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.165 2.178 3.244 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.778 3.686 1.021 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.118 2.301 1.869 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.627 2.363 0.322 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.337 0.959 -1.421 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.669 2.595 -1.206 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.123 1.201 -0.434 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.515 -0.143 0.124 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.166 -0.123 1.285 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.777 0.449 1.782 1.00 6.41 H new ATOM 699 N ILE A 44 -0.859 3.123 5.024 1.00 4.58 N ATOM 700 CA ILE A 44 -0.200 3.514 6.235 1.00 5.55 C ATOM 701 C ILE A 44 0.961 2.541 6.491 1.00 5.46 C ATOM 702 O ILE A 44 0.765 1.343 6.389 1.00 6.04 O ATOM 703 CB ILE A 44 -1.158 3.447 7.436 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.399 4.319 7.259 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.422 4.006 8.708 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.341 4.332 8.491 1.00 13.90 C ATOM 0 H ILE A 44 -1.139 2.142 5.045 1.00 4.58 H new ATOM 0 HA ILE A 44 0.153 4.539 6.124 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.458 2.403 7.531 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.085 5.340 7.044 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.957 3.967 6.391 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.094 3.963 9.565 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.464 3.404 8.910 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.125 5.040 8.532 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.198 4.973 8.287 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.686 3.319 8.696 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.801 4.713 9.358 1.00 13.90 H new ATOM 718 N PHE A 45 2.199 3.049 6.745 1.00 6.75 N ATOM 719 CA PHE A 45 3.376 2.220 7.058 1.00 4.70 C ATOM 720 C PHE A 45 4.058 2.930 8.260 1.00 6.34 C ATOM 721 O PHE A 45 4.414 4.049 8.132 1.00 5.45 O ATOM 722 CB PHE A 45 4.357 2.051 5.830 1.00 5.51 C ATOM 723 CG PHE A 45 5.664 1.565 6.116 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.759 0.298 6.788 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.841 2.232 5.700 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.022 -0.211 7.140 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.082 1.647 5.919 1.00 6.64 C ATOM 728 CZ PHE A 45 8.135 0.487 6.735 1.00 6.84 C ATOM 0 H PHE A 45 2.399 4.049 6.736 1.00 6.75 H new ATOM 0 HA PHE A 45 3.084 1.198 7.299 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.892 1.374 5.114 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.454 3.018 5.337 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.865 -0.261 7.022 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.775 3.194 5.213 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.115 -1.123 7.711 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.978 2.062 5.482 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.104 0.133 7.056 1.00 6.84 H new ATOM 738 N ALA A 46 4.191 2.267 9.447 1.00 6.53 N ATOM 739 CA ALA A 46 4.769 2.758 10.773 1.00 7.15 C ATOM 740 C ALA A 46 4.101 4.012 11.354 1.00 9.00 C ATOM 741 O ALA A 46 4.731 4.955 11.843 1.00 11.15 O ATOM 742 CB ALA A 46 6.254 3.025 10.659 1.00 8.99 C ATOM 0 H ALA A 46 3.878 1.299 9.527 1.00 6.53 H new ATOM 0 HA ALA A 46 4.564 1.939 11.462 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.636 3.373 11.619 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.768 2.107 10.375 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.429 3.788 9.901 1.00 8.99 H new ATOM 748 N GLY A 47 2.721 4.035 11.298 1.00 9.35 N ATOM 749 CA GLY A 47 1.937 5.222 11.657 1.00 11.68 C ATOM 750 C GLY A 47 2.013 6.360 10.697 1.00 11.14 C ATOM 751 O GLY A 47 1.312 7.381 10.797 1.00 13.93 O ATOM 0 H GLY A 47 2.156 3.237 11.006 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.893 4.927 11.761 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.269 5.572 12.635 1.00 11.68 H new ATOM 755 N LYS A 48 2.872 6.203 9.618 1.00 10.47 N ATOM 756 CA LYS A 48 2.958 7.169 8.507 1.00 8.82 C ATOM 757 C LYS A 48 1.946 6.933 7.352 1.00 7.68 C ATOM 758 O LYS A 48 1.829 5.857 6.766 1.00 6.47 O ATOM 759 CB LYS A 48 4.339 7.142 7.895 1.00 9.74 C ATOM 760 CG LYS A 48 4.717 8.322 7.011 1.00 14.14 C ATOM 761 CD LYS A 48 4.892 9.649 7.748 1.00 16.32 C ATOM 762 CE LYS A 48 6.147 9.738 8.658 1.00 20.04 C ATOM 763 NZ LYS A 48 7.444 9.709 7.945 1.00 23.92 N ATOM 0 H LYS A 48 3.503 5.408 9.519 1.00 10.47 H new ATOM 0 HA LYS A 48 2.720 8.128 8.967 1.00 8.82 H new ATOM 0 HB2 LYS A 48 5.068 7.074 8.703 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.432 6.231 7.304 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.646 8.086 6.493 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.949 8.446 6.248 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.939 10.452 7.012 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.007 9.827 8.358 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.090 10.658 9.239 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.122 8.911 9.367 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.220 9.773 8.634 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.527 8.820 7.412 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.497 10.513 7.288 1.00 23.92 H new ATOM 777 N GLN A 49 1.253 8.061 7.043 1.00 8.89 N ATOM 778 CA GLN A 49 0.446 8.162 5.846 1.00 7.18 C ATOM 779 C GLN A 49 1.292 8.363 4.611 1.00 8.23 C ATOM 780 O GLN A 49 2.167 9.247 4.540 1.00 9.70 O ATOM 781 CB GLN A 49 -0.679 9.305 5.970 1.00 11.67 C ATOM 782 CG GLN A 49 -1.552 9.324 7.237 1.00 15.82 C ATOM 783 CD GLN A 49 -2.089 10.646 7.702 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.292 11.008 7.675 1.00 23.23 O ATOM 785 NE2 GLN A 49 -1.133 11.498 8.140 1.00 20.67 N ATOM 0 H GLN A 49 1.252 8.901 7.621 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.070 7.208 5.739 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.183 10.272 5.892 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.342 9.216 5.109 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.400 8.660 7.069 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.968 8.895 8.052 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -0.157 11.202 8.161 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -1.388 12.436 8.449 1.00 20.67 H new ATOM 794 N LEU A 50 0.999 7.620 3.567 1.00 6.51 N ATOM 795 CA LEU A 50 1.941 7.511 2.476 1.00 7.41 C ATOM 796 C LEU A 50 1.495 8.251 1.286 1.00 8.27 C ATOM 797 O LEU A 50 0.423 7.928 0.737 1.00 8.34 O ATOM 798 CB LEU A 50 2.289 6.110 2.093 1.00 7.13 C ATOM 799 CG LEU A 50 2.734 5.197 3.255 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.639 3.739 2.690 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.081 5.602 3.783 1.00 9.11 C ATOM 0 H LEU A 50 0.134 7.092 3.450 1.00 6.51 H new ATOM 0 HA LEU A 50 2.851 7.964 2.868 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.423 5.658 1.609 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.088 6.142 1.352 1.00 7.13 H new ATOM 0 HG LEU A 50 2.100 5.278 4.138 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.941 3.030 3.461 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.612 3.532 2.388 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.298 3.639 1.827 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.366 4.939 4.600 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.820 5.532 2.985 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.036 6.628 4.147 1.00 9.11 H new ATOM 813 N GLU A 51 2.263 9.249 0.805 1.00 9.43 N ATOM 814 CA GLU A 51 2.131 9.856 -0.505 1.00 11.90 C ATOM 815 C GLU A 51 2.046 8.946 -1.733 1.00 11.49 C ATOM 816 O GLU A 51 2.983 8.281 -2.170 1.00 9.88 O ATOM 817 CB GLU A 51 3.169 10.959 -0.784 1.00 16.56 C ATOM 818 CG GLU A 51 2.749 11.947 -1.865 1.00 26.06 C ATOM 819 CD GLU A 51 3.664 13.114 -1.932 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.828 12.836 -2.296 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.338 14.315 -1.635 1.00 33.44 O ATOM 0 H GLU A 51 3.019 9.660 1.353 1.00 9.43 H new ATOM 0 HA GLU A 51 1.131 10.275 -0.393 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.360 11.506 0.139 1.00 16.56 H new ATOM 0 HB3 GLU A 51 4.109 10.493 -1.078 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.732 11.443 -2.831 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.734 12.292 -1.667 1.00 26.06 H new ATOM 828 N ASP A 52 0.850 9.008 -2.406 1.00 12.71 N ATOM 829 CA ASP A 52 0.464 8.233 -3.577 1.00 16.56 C ATOM 830 C ASP A 52 1.454 8.382 -4.724 1.00 15.83 C ATOM 831 O ASP A 52 1.914 7.405 -5.321 1.00 17.21 O ATOM 832 CB ASP A 52 -0.906 8.781 -4.037 1.00 21.05 C ATOM 833 CG ASP A 52 -2.045 8.390 -3.103 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.982 8.801 -1.939 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.961 7.696 -3.543 1.00 28.37 O ATOM 0 H ASP A 52 0.109 9.642 -2.109 1.00 12.71 H new ATOM 0 HA ASP A 52 0.433 7.176 -3.312 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.853 9.868 -4.103 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.122 8.411 -5.039 1.00 21.05 H new ATOM 840 N GLY A 53 1.879 9.651 -4.999 1.00 15.00 N ATOM 841 CA GLY A 53 2.805 9.964 -6.098 1.00 11.77 C ATOM 842 C GLY A 53 4.259 9.645 -5.869 1.00 11.10 C ATOM 843 O GLY A 53 5.126 9.922 -6.669 1.00 11.25 O ATOM 0 H GLY A 53 1.585 10.468 -4.463 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.474 9.425 -6.986 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.721 11.028 -6.321 1.00 11.77 H new ATOM 847 N ARG A 54 4.541 9.060 -4.687 1.00 8.53 N ATOM 848 CA ARG A 54 5.935 8.903 -4.180 1.00 9.05 C ATOM 849 C ARG A 54 6.397 7.399 -4.237 1.00 8.96 C ATOM 850 O ARG A 54 5.580 6.493 -4.409 1.00 11.60 O ATOM 851 CB ARG A 54 6.138 9.454 -2.804 1.00 7.97 C ATOM 852 CG ARG A 54 7.534 10.009 -2.516 1.00 9.62 C ATOM 853 CD ARG A 54 7.671 10.516 -1.048 1.00 12.20 C ATOM 854 NE ARG A 54 6.598 11.457 -0.674 1.00 18.23 N ATOM 855 CZ ARG A 54 6.468 12.108 0.482 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.254 11.836 1.509 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.524 13.043 0.578 1.00 23.38 N ATOM 0 H ARG A 54 3.828 8.686 -4.060 1.00 8.53 H new ATOM 0 HA ARG A 54 6.558 9.496 -4.850 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.409 10.247 -2.638 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.923 8.667 -2.081 1.00 7.97 H new ATOM 0 HG2 ARG A 54 8.278 9.234 -2.703 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.747 10.828 -3.203 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.655 9.663 -0.369 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.638 11.004 -0.924 1.00 12.20 H new ATOM 0 HE ARG A 54 5.878 11.628 -1.376 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.974 11.118 1.424 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.141 12.344 2.386 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.923 13.245 -0.221 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.402 13.557 1.451 1.00 23.38 H new ATOM 871 N THR A 55 7.748 7.192 -4.235 1.00 9.05 N ATOM 872 CA THR A 55 8.302 5.889 -4.434 1.00 9.03 C ATOM 873 C THR A 55 8.621 5.119 -3.175 1.00 8.15 C ATOM 874 O THR A 55 8.825 5.672 -2.114 1.00 5.91 O ATOM 875 CB THR A 55 9.533 5.873 -5.239 1.00 11.15 C ATOM 876 OG1 THR A 55 10.557 6.709 -4.721 1.00 11.95 O ATOM 877 CG2 THR A 55 9.229 6.387 -6.682 1.00 11.71 C ATOM 0 H THR A 55 8.439 7.929 -4.096 1.00 9.05 H new ATOM 0 HA THR A 55 7.481 5.404 -4.963 1.00 9.03 H new ATOM 0 HB THR A 55 9.878 4.839 -5.226 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.403 6.214 -4.698 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.144 6.373 -7.274 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.485 5.741 -7.149 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.845 7.406 -6.632 1.00 11.71 H new ATOM 885 N LEU A 56 8.478 3.844 -3.195 1.00 6.91 N ATOM 886 CA LEU A 56 8.771 2.880 -2.178 1.00 8.29 C ATOM 887 C LEU A 56 10.232 3.071 -1.581 1.00 8.05 C ATOM 888 O LEU A 56 10.515 2.915 -0.371 1.00 10.17 O ATOM 889 CB LEU A 56 8.695 1.393 -2.595 1.00 6.60 C ATOM 890 CG LEU A 56 7.304 0.855 -2.768 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.417 -0.549 -3.413 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.544 0.758 -1.439 1.00 8.64 C ATOM 0 H LEU A 56 8.106 3.387 -4.028 1.00 6.91 H new ATOM 0 HA LEU A 56 7.978 3.080 -1.457 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.237 1.265 -3.532 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.210 0.793 -1.844 1.00 6.60 H new ATOM 0 HG LEU A 56 6.740 1.540 -3.401 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.420 -0.967 -3.552 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.914 -0.466 -4.380 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.997 -1.203 -2.762 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.544 0.364 -1.620 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.079 0.093 -0.761 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.468 1.748 -0.990 1.00 8.64 H new ATOM 904 N SER A 57 11.123 3.453 -2.490 1.00 8.92 N ATOM 905 CA SER A 57 12.537 3.772 -2.269 1.00 9.00 C ATOM 906 C SER A 57 12.601 4.967 -1.289 1.00 9.44 C ATOM 907 O SER A 57 13.394 4.971 -0.382 1.00 10.91 O ATOM 908 CB SER A 57 13.405 4.085 -3.564 1.00 10.32 C ATOM 909 OG SER A 57 12.723 5.032 -4.457 1.00 13.59 O ATOM 0 H SER A 57 10.862 3.556 -3.471 1.00 8.92 H new ATOM 0 HA SER A 57 12.992 2.866 -1.869 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.370 4.496 -3.266 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.606 3.158 -4.101 1.00 10.32 H new ATOM 0 HG SER A 57 13.284 5.204 -5.242 1.00 13.59 H new ATOM 915 N ASP A 58 11.790 6.060 -1.488 1.00 9.11 N ATOM 916 CA ASP A 58 11.981 7.288 -0.734 1.00 7.91 C ATOM 917 C ASP A 58 11.293 7.220 0.623 1.00 9.12 C ATOM 918 O ASP A 58 11.536 7.985 1.533 1.00 8.61 O ATOM 919 CB ASP A 58 11.297 8.389 -1.539 1.00 8.41 C ATOM 920 CG ASP A 58 11.769 9.815 -1.159 1.00 11.50 C ATOM 921 OD1 ASP A 58 13.013 10.063 -1.199 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.932 10.729 -0.910 1.00 11.70 O ATOM 0 H ASP A 58 11.021 6.088 -2.157 1.00 9.11 H new ATOM 0 HA ASP A 58 13.045 7.461 -0.574 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.485 8.223 -2.600 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.219 8.320 -1.392 1.00 8.41 H new ATOM 927 N TYR A 59 10.455 6.252 0.792 1.00 7.97 N ATOM 928 CA TYR A 59 9.826 5.887 2.027 1.00 8.45 C ATOM 929 C TYR A 59 10.566 4.728 2.676 1.00 10.98 C ATOM 930 O TYR A 59 10.078 4.130 3.664 1.00 12.95 O ATOM 931 CB TYR A 59 8.324 5.522 1.800 1.00 7.94 C ATOM 932 CG TYR A 59 7.410 6.706 2.045 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.263 7.385 3.277 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.547 7.130 0.972 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.427 8.484 3.376 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.634 8.144 1.131 1.00 6.52 C ATOM 937 CZ TYR A 59 5.612 8.881 2.367 1.00 6.76 C ATOM 938 OH TYR A 59 4.662 9.932 2.480 1.00 7.63 O ATOM 0 H TYR A 59 10.169 5.651 0.019 1.00 7.97 H new ATOM 0 HA TYR A 59 9.868 6.745 2.698 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.188 5.164 0.780 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.045 4.705 2.465 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.806 7.044 4.146 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.620 6.636 0.014 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.424 9.050 4.296 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.941 8.385 0.338 1.00 6.52 H new ATOM 0 HH TYR A 59 5.130 10.790 2.547 1.00 7.63 H new ATOM 948 N ASN A 60 11.664 4.365 2.045 1.00 12.38 N ATOM 949 CA ASN A 60 12.620 3.313 2.334 1.00 13.94 C ATOM 950 C ASN A 60 11.950 1.997 2.761 1.00 14.16 C ATOM 951 O ASN A 60 12.306 1.398 3.818 1.00 14.26 O ATOM 952 CB ASN A 60 13.618 3.768 3.360 1.00 19.23 C ATOM 953 CG ASN A 60 14.455 4.929 2.805 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.155 6.112 2.967 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.610 4.619 2.254 1.00 24.09 N ATOM 0 H ASN A 60 11.944 4.870 1.204 1.00 12.38 H new ATOM 0 HA ASN A 60 13.146 3.103 1.403 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.101 4.083 4.266 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.270 2.939 3.637 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.251 5.357 1.964 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.864 3.641 2.117 1.00 24.09 H new ATOM 962 N ILE A 61 11.053 1.455 1.993 1.00 11.08 N ATOM 963 CA ILE A 61 10.228 0.327 2.384 1.00 11.78 C ATOM 964 C ILE A 61 11.084 -0.899 2.078 1.00 13.74 C ATOM 965 O ILE A 61 11.563 -1.009 0.939 1.00 14.60 O ATOM 966 CB ILE A 61 8.858 0.326 1.672 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.896 1.182 2.550 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.284 -1.136 1.522 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.755 1.722 1.701 1.00 11.42 C ATOM 0 H ILE A 61 10.861 1.787 1.048 1.00 11.08 H new ATOM 0 HA ILE A 61 9.954 0.357 3.439 1.00 11.78 H new ATOM 0 HB ILE A 61 8.959 0.734 0.666 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.499 0.576 3.364 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.444 2.008 3.005 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.319 -1.098 1.017 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.977 -1.741 0.937 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.159 -1.581 2.509 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.089 2.319 2.324 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.159 2.344 0.902 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.199 0.891 1.268 1.00 11.42 H new ATOM 981 N GLN A 62 11.396 -1.822 3.004 1.00 13.97 N ATOM 982 CA GLN A 62 12.247 -2.930 2.813 1.00 15.52 C ATOM 983 C GLN A 62 11.374 -4.191 2.677 1.00 13.94 C ATOM 984 O GLN A 62 10.231 -4.353 3.118 1.00 12.15 O ATOM 985 CB GLN A 62 13.262 -2.974 4.118 1.00 19.53 C ATOM 986 CG GLN A 62 14.261 -1.779 4.100 1.00 26.38 C ATOM 987 CD GLN A 62 15.204 -1.957 5.264 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.211 -1.246 6.264 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.135 -2.965 5.136 1.00 32.71 N ATOM 0 H GLN A 62 11.020 -1.780 3.951 1.00 13.97 H new ATOM 0 HA GLN A 62 12.850 -2.865 1.907 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.677 -2.948 5.037 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.815 -3.913 4.119 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.813 -1.755 3.160 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.727 -0.832 4.181 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.133 -3.559 4.307 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.826 -3.117 5.871 1.00 32.71 H new ATOM 998 N LYS A 63 11.939 -5.214 2.014 1.00 11.73 N ATOM 999 CA LYS A 63 11.446 -6.579 1.975 1.00 11.97 C ATOM 1000 C LYS A 63 11.009 -7.163 3.282 1.00 10.41 C ATOM 1001 O LYS A 63 11.723 -7.191 4.290 1.00 9.59 O ATOM 1002 CB LYS A 63 12.410 -7.568 1.215 1.00 13.73 C ATOM 1003 CG LYS A 63 13.725 -7.882 1.969 1.00 16.98 C ATOM 1004 CD LYS A 63 14.730 -8.732 1.184 1.00 20.19 C ATOM 1005 CE LYS A 63 16.126 -8.857 1.816 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.016 -9.545 3.140 1.00 25.97 N ATOM 0 H LYS A 63 12.792 -5.094 1.468 1.00 11.73 H new ATOM 0 HA LYS A 63 10.530 -6.471 1.394 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.880 -8.502 1.029 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.656 -7.142 0.242 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.203 -6.942 2.244 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.480 -8.399 2.897 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.315 -9.732 1.060 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.839 -8.306 0.186 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.786 -9.419 1.156 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.569 -7.869 1.943 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.961 -9.629 3.567 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.400 -8.991 3.769 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.611 -10.493 3.006 1.00 25.97 H new ATOM 1020 N GLU A 64 9.794 -7.691 3.232 1.00 10.04 N ATOM 1021 CA GLU A 64 9.208 -8.484 4.339 1.00 10.94 C ATOM 1022 C GLU A 64 8.735 -7.606 5.561 1.00 9.74 C ATOM 1023 O GLU A 64 8.370 -8.106 6.658 1.00 9.42 O ATOM 1024 CB GLU A 64 9.952 -9.709 4.766 1.00 18.31 C ATOM 1025 CG GLU A 64 10.088 -10.792 3.704 1.00 24.16 C ATOM 1026 CD GLU A 64 10.979 -11.909 4.159 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.897 -12.235 5.384 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.770 -12.449 3.391 1.00 32.61 O ATOM 0 H GLU A 64 9.174 -7.590 2.428 1.00 10.04 H new ATOM 0 HA GLU A 64 8.315 -8.894 3.867 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.950 -9.413 5.090 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.449 -10.135 5.634 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.102 -11.189 3.461 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.490 -10.356 2.789 1.00 24.16 H new ATOM 1035 N SER A 65 8.745 -6.282 5.351 1.00 6.85 N ATOM 1036 CA SER A 65 8.129 -5.298 6.215 1.00 6.90 C ATOM 1037 C SER A 65 6.626 -5.521 6.387 1.00 4.72 C ATOM 1038 O SER A 65 5.943 -6.114 5.560 1.00 3.91 O ATOM 1039 CB SER A 65 8.270 -3.830 5.743 1.00 7.28 C ATOM 1040 OG SER A 65 9.654 -3.447 5.545 1.00 10.56 O ATOM 0 H SER A 65 9.203 -5.864 4.541 1.00 6.85 H new ATOM 0 HA SER A 65 8.678 -5.442 7.145 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.721 -3.696 4.811 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.814 -3.168 6.479 1.00 7.28 H new ATOM 0 HG SER A 65 10.034 -3.966 4.806 1.00 10.56 H new ATOM 1046 N THR A 66 6.083 -5.018 7.541 1.00 4.48 N ATOM 1047 CA THR A 66 4.619 -5.147 7.752 1.00 3.80 C ATOM 1048 C THR A 66 4.013 -3.809 7.469 1.00 4.60 C ATOM 1049 O THR A 66 4.340 -2.779 8.138 1.00 5.33 O ATOM 1050 CB THR A 66 4.167 -5.621 9.103 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.596 -6.984 9.267 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.588 -5.702 9.205 1.00 3.40 C ATOM 0 H THR A 66 6.601 -4.553 8.286 1.00 4.48 H new ATOM 0 HA THR A 66 4.287 -5.936 7.078 1.00 3.80 H new ATOM 0 HB THR A 66 4.572 -4.925 9.838 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.312 -7.313 10.145 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.305 -6.049 10.199 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.161 -4.714 9.030 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.210 -6.398 8.456 1.00 3.40 H new ATOM 1060 N LEU A 67 3.189 -3.730 6.476 1.00 4.17 N ATOM 1061 CA LEU A 67 2.456 -2.602 5.987 1.00 3.85 C ATOM 1062 C LEU A 67 0.915 -2.739 6.106 1.00 3.80 C ATOM 1063 O LEU A 67 0.405 -3.870 6.285 1.00 5.54 O ATOM 1064 CB LEU A 67 2.743 -2.351 4.457 1.00 7.18 C ATOM 1065 CG LEU A 67 4.201 -1.972 4.279 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.091 -3.156 3.887 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.489 -0.877 3.279 1.00 11.66 C ATOM 0 H LEU A 67 2.987 -4.559 5.917 1.00 4.17 H new ATOM 0 HA LEU A 67 2.798 -1.782 6.618 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.515 -3.247 3.880 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.100 -1.556 4.080 1.00 7.18 H new ATOM 0 HG LEU A 67 4.437 -1.601 5.276 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.121 -2.816 3.776 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.043 -3.920 4.663 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.743 -3.576 2.943 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.563 -0.694 3.239 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.136 -1.182 2.294 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.976 0.036 3.582 1.00 11.66 H new ATOM 1079 N HIS A 68 0.219 -1.557 6.158 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.194 -1.579 6.465 1.00 4.17 C ATOM 1081 C HIS A 68 -2.028 -0.906 5.352 1.00 5.32 C ATOM 1082 O HIS A 68 -1.778 0.237 4.929 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.425 -0.904 7.846 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.498 -1.464 8.970 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.474 -0.792 9.591 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.568 -2.696 9.512 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.989 -1.662 10.517 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.389 -2.851 10.487 1.00 16.30 N ATOM 0 H HIS A 68 0.619 -0.633 5.995 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.532 -2.614 6.517 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.260 0.169 7.750 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.465 -1.042 8.140 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.278 -3.456 9.221 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.791 -1.411 11.195 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.591 -3.677 11.051 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.065 -1.646 4.908 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.150 -1.112 4.130 1.00 3.97 C ATOM 1098 C LEU A 69 -5.376 -0.792 4.985 1.00 5.07 C ATOM 1099 O LEU A 69 -5.901 -1.594 5.761 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.617 -2.183 3.076 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.834 -1.794 2.238 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.546 -0.783 1.162 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.609 -2.963 1.609 1.00 9.96 C ATOM 0 H LEU A 69 -3.153 -2.645 5.095 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.777 -0.200 3.664 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.786 -2.391 2.403 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.841 -3.111 3.602 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.472 -1.342 2.997 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.463 -0.563 0.615 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.165 0.132 1.615 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.801 -1.185 0.475 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.452 -2.575 1.037 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.948 -3.523 0.947 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.977 -3.621 2.396 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.886 0.427 4.825 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.154 0.808 5.381 1.00 6.26 C ATOM 1117 C VAL A 70 -8.109 0.875 4.228 1.00 9.22 C ATOM 1118 O VAL A 70 -7.911 1.526 3.190 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.132 2.264 6.017 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.431 2.726 6.705 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.019 2.307 7.070 1.00 8.54 C ATOM 0 H VAL A 70 -5.420 1.170 4.303 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.421 0.093 6.159 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.982 2.940 5.175 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.295 3.733 7.100 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.246 2.727 5.981 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.672 2.045 7.522 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.984 3.298 7.522 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.219 1.563 7.841 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.062 2.090 6.596 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.202 0.179 4.409 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.280 0.203 3.434 1.00 16.06 C ATOM 1133 C LEU A 71 -11.064 1.505 3.731 1.00 18.09 C ATOM 1134 O LEU A 71 -11.664 1.773 4.801 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.172 -1.051 3.453 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.410 -0.959 2.589 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.095 -0.911 1.086 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.349 -2.164 3.041 1.00 19.57 C ATOM 0 H LEU A 71 -9.376 -0.414 5.221 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.881 0.192 2.420 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.580 -1.906 3.126 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.477 -1.248 4.481 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.932 -0.014 2.737 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.025 -0.845 0.521 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.478 -0.039 0.871 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.558 -1.815 0.798 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.265 -2.152 2.451 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.829 -3.109 2.885 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.596 -2.056 4.097 1.00 19.57 H new