USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= 1.8 K(o=1,f=-7.9!) USER MOD Set 1.2: A 58 THR OG1 : rot -120:sc= -0.752 USER MOD Set 2.1: A 38 HIS : no HE2:sc= 0.867 K(o=1,f=-5.6!) USER MOD Set 2.2: A 39 ASN : amide:sc= 0.138 K(o=1,f=-2.2) USER MOD Set 3.1: A 27 ASN : amide:sc= 1.58 K(o=2.8,f=-4.3) USER MOD Set 3.2: A 76 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0) USER MOD Set 4.1: A 9 TYR OH : rot 11:sc= 0.944 USER MOD Set 4.2: A 60 LYS NZ :NH3+ -175:sc= 1.11 (180deg=0) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0427 (180deg=-0.271) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0751 (180deg=-0.235) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -82:sc= 0.0147 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 86:sc= -1.52! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -76:sc= 1.16 USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.07) USER MOD Single : A 22 THR OG1 : rot 85:sc= 1.08 USER MOD Single : A 25 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 31 TYR OH : rot 151:sc= 0 USER MOD Single : A 48 SER OG : rot 74:sc= 1.24 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 85:sc= 0.796 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0.0137 USER MOD Single : A 68 THR OG1 : rot -108:sc= 1.07 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 71 SER OG : rot 82:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 0.199 (180deg=0.108) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0426 K(o=-0.043,f=-0.59) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.723 10.998 7.889 1.00 0.00 N ATOM 2 CA MET A 1 10.843 10.032 8.993 1.00 0.00 C ATOM 3 C MET A 1 10.714 8.610 8.491 1.00 0.00 C ATOM 4 O MET A 1 11.123 7.686 9.178 1.00 0.00 O ATOM 5 CB MET A 1 9.772 10.262 10.081 1.00 0.00 C ATOM 6 CG MET A 1 9.834 11.612 10.772 1.00 0.00 C ATOM 7 SD MET A 1 8.645 11.778 12.135 1.00 0.00 S ATOM 8 CE MET A 1 7.074 11.612 11.279 1.00 0.00 C ATOM 0 H1 MET A 1 10.966 11.949 8.232 1.00 0.00 H new ATOM 0 H2 MET A 1 11.372 10.731 7.122 1.00 0.00 H new ATOM 0 H3 MET A 1 9.746 10.997 7.532 1.00 0.00 H new ATOM 0 HA MET A 1 11.831 10.186 9.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.787 10.148 9.629 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.869 9.481 10.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.842 11.769 11.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.647 12.396 10.039 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.265 11.920 11.941 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.076 12.243 10.390 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.927 10.572 10.986 1.00 0.00 H new ATOM 20 N VAL A 2 10.091 8.436 7.298 1.00 0.00 N ATOM 21 CA VAL A 2 9.837 7.119 6.637 1.00 0.00 C ATOM 22 C VAL A 2 9.151 6.071 7.534 1.00 0.00 C ATOM 23 O VAL A 2 9.137 4.882 7.214 1.00 0.00 O ATOM 24 CB VAL A 2 11.067 6.507 5.857 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.510 7.432 4.737 1.00 0.00 C ATOM 26 CG2 VAL A 2 12.249 6.149 6.760 1.00 0.00 C ATOM 0 H VAL A 2 9.741 9.223 6.751 1.00 0.00 H new ATOM 0 HA VAL A 2 9.110 7.389 5.871 1.00 0.00 H new ATOM 0 HB VAL A 2 10.715 5.568 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.358 6.990 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.687 7.576 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.803 8.395 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.056 5.735 6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.601 7.045 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.933 5.412 7.498 1.00 0.00 H new ATOM 36 N THR A 3 8.521 6.532 8.609 1.00 0.00 N ATOM 37 CA THR A 3 7.788 5.660 9.497 1.00 0.00 C ATOM 38 C THR A 3 6.471 5.283 8.815 1.00 0.00 C ATOM 39 O THR A 3 5.974 4.152 8.935 1.00 0.00 O ATOM 40 CB THR A 3 7.570 6.302 10.920 1.00 0.00 C ATOM 41 OG1 THR A 3 6.812 5.434 11.770 1.00 0.00 O ATOM 42 CG2 THR A 3 6.891 7.664 10.847 1.00 0.00 C ATOM 0 H THR A 3 8.508 7.515 8.881 1.00 0.00 H new ATOM 0 HA THR A 3 8.369 4.757 9.683 1.00 0.00 H new ATOM 0 HB THR A 3 8.564 6.444 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.693 5.856 12.646 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.765 8.062 11.854 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.507 8.347 10.262 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.915 7.559 10.373 1.00 0.00 H new ATOM 50 N ALA A 4 5.943 6.215 8.050 1.00 0.00 N ATOM 51 CA ALA A 4 4.811 5.950 7.230 1.00 0.00 C ATOM 52 C ALA A 4 5.340 5.606 5.861 1.00 0.00 C ATOM 53 O ALA A 4 5.490 6.478 5.000 1.00 0.00 O ATOM 54 CB ALA A 4 3.858 7.138 7.176 1.00 0.00 C ATOM 0 H ALA A 4 6.295 7.170 7.989 1.00 0.00 H new ATOM 0 HA ALA A 4 4.228 5.125 7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.008 6.894 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.505 7.367 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.379 8.004 6.768 1.00 0.00 H new ATOM 60 N ALA A 5 5.763 4.366 5.731 1.00 0.00 N ATOM 61 CA ALA A 5 6.343 3.851 4.507 1.00 0.00 C ATOM 62 C ALA A 5 5.287 3.773 3.418 1.00 0.00 C ATOM 63 O ALA A 5 5.470 4.298 2.312 1.00 0.00 O ATOM 64 CB ALA A 5 6.952 2.482 4.774 1.00 0.00 C ATOM 0 H ALA A 5 5.713 3.678 6.482 1.00 0.00 H new ATOM 0 HA ALA A 5 7.129 4.524 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.389 2.093 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.727 2.571 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.176 1.801 5.124 1.00 0.00 H new ATOM 70 N LEU A 6 4.198 3.117 3.739 1.00 0.00 N ATOM 71 CA LEU A 6 3.070 3.006 2.861 1.00 0.00 C ATOM 72 C LEU A 6 1.822 2.804 3.683 1.00 0.00 C ATOM 73 O LEU A 6 1.836 2.060 4.681 1.00 0.00 O ATOM 74 CB LEU A 6 3.208 1.865 1.812 1.00 0.00 C ATOM 75 CG LEU A 6 3.329 0.417 2.333 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.014 -0.556 1.224 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.728 0.137 2.842 1.00 0.00 C ATOM 0 H LEU A 6 4.074 2.640 4.632 1.00 0.00 H new ATOM 0 HA LEU A 6 3.014 3.934 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.342 1.912 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.086 2.076 1.202 1.00 0.00 H new ATOM 0 HG LEU A 6 2.621 0.297 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.101 -1.576 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.998 -0.386 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.715 -0.410 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.785 -0.890 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.445 0.278 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.962 0.822 3.657 1.00 0.00 H new ATOM 89 N THR A 7 0.792 3.488 3.314 1.00 0.00 N ATOM 90 CA THR A 7 -0.473 3.376 3.954 1.00 0.00 C ATOM 91 C THR A 7 -1.394 2.539 3.070 1.00 0.00 C ATOM 92 O THR A 7 -1.592 2.852 1.887 1.00 0.00 O ATOM 93 CB THR A 7 -1.096 4.763 4.140 1.00 0.00 C ATOM 94 OG1 THR A 7 -0.109 5.664 4.683 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.287 4.699 5.089 1.00 0.00 C ATOM 0 H THR A 7 0.807 4.155 2.542 1.00 0.00 H new ATOM 0 HA THR A 7 -0.343 2.907 4.930 1.00 0.00 H new ATOM 0 HB THR A 7 -1.439 5.120 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.506 6.552 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.713 5.695 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.042 4.027 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.959 4.329 6.060 1.00 0.00 H new ATOM 103 N ILE A 8 -1.909 1.487 3.627 1.00 0.00 N ATOM 104 CA ILE A 8 -2.812 0.610 2.954 1.00 0.00 C ATOM 105 C ILE A 8 -4.237 1.073 3.131 1.00 0.00 C ATOM 106 O ILE A 8 -4.735 1.196 4.260 1.00 0.00 O ATOM 107 CB ILE A 8 -2.672 -0.862 3.454 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.356 -1.482 2.984 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.855 -1.714 3.015 1.00 0.00 C ATOM 110 CD1 ILE A 8 -1.130 -2.884 3.485 1.00 0.00 C ATOM 0 H ILE A 8 -1.707 1.209 4.587 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.553 0.635 1.895 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.665 -0.836 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.337 -1.488 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.530 -0.851 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.725 -2.733 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.775 -1.297 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.913 -1.723 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.176 -3.255 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.115 -2.883 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.935 -3.530 3.134 1.00 0.00 H new ATOM 122 N TYR A 9 -4.860 1.346 2.027 1.00 0.00 N ATOM 123 CA TYR A 9 -6.246 1.664 1.982 1.00 0.00 C ATOM 124 C TYR A 9 -6.990 0.446 1.469 1.00 0.00 C ATOM 125 O TYR A 9 -6.732 -0.011 0.353 1.00 0.00 O ATOM 126 CB TYR A 9 -6.506 2.860 1.060 1.00 0.00 C ATOM 127 CG TYR A 9 -5.914 4.178 1.513 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.169 4.680 2.780 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.143 4.943 0.653 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.670 5.906 3.180 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.634 6.163 1.046 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.899 6.644 2.310 1.00 0.00 C ATOM 133 OH TYR A 9 -4.412 7.885 2.693 1.00 0.00 O ATOM 0 H TYR A 9 -4.405 1.353 1.114 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.591 1.934 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.111 2.626 0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.583 2.985 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.769 4.102 3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.937 4.578 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.884 6.283 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.028 6.741 0.364 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.555 8.010 3.654 1.00 0.00 H new ATOM 143 N THR A 10 -7.861 -0.101 2.286 1.00 0.00 N ATOM 144 CA THR A 10 -8.634 -1.261 1.915 1.00 0.00 C ATOM 145 C THR A 10 -9.845 -1.375 2.836 1.00 0.00 C ATOM 146 O THR A 10 -9.946 -0.653 3.840 1.00 0.00 O ATOM 147 CB THR A 10 -7.771 -2.577 2.018 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.504 -3.724 1.548 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.326 -2.835 3.456 1.00 0.00 C ATOM 0 H THR A 10 -8.052 0.247 3.226 1.00 0.00 H new ATOM 0 HA THR A 10 -8.957 -1.144 0.881 1.00 0.00 H new ATOM 0 HB THR A 10 -6.894 -2.427 1.388 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.084 -4.058 2.264 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.733 -3.749 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.724 -1.997 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.203 -2.944 4.094 1.00 0.00 H new ATOM 157 N THR A 11 -10.761 -2.224 2.463 1.00 0.00 N ATOM 158 CA THR A 11 -11.856 -2.596 3.287 1.00 0.00 C ATOM 159 C THR A 11 -11.533 -3.947 3.902 1.00 0.00 C ATOM 160 O THR A 11 -10.652 -4.673 3.391 1.00 0.00 O ATOM 161 CB THR A 11 -13.135 -2.716 2.443 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.827 -3.393 1.212 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.728 -1.361 2.148 1.00 0.00 C ATOM 0 H THR A 11 -10.759 -2.683 1.552 1.00 0.00 H new ATOM 0 HA THR A 11 -12.018 -1.844 4.059 1.00 0.00 H new ATOM 0 HB THR A 11 -13.871 -3.286 3.009 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.640 -3.474 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.631 -1.482 1.550 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.977 -0.861 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.005 -0.760 1.597 1.00 0.00 H new ATOM 171 N SER A 12 -12.201 -4.285 4.970 1.00 0.00 N ATOM 172 CA SER A 12 -12.018 -5.562 5.605 1.00 0.00 C ATOM 173 C SER A 12 -12.653 -6.647 4.717 1.00 0.00 C ATOM 174 O SER A 12 -12.153 -7.770 4.606 1.00 0.00 O ATOM 175 CB SER A 12 -12.674 -5.532 6.998 1.00 0.00 C ATOM 176 OG SER A 12 -12.344 -6.674 7.766 1.00 0.00 O ATOM 0 H SER A 12 -12.888 -3.684 5.425 1.00 0.00 H new ATOM 0 HA SER A 12 -10.958 -5.784 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.356 -4.634 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.757 -5.470 6.887 1.00 0.00 H new ATOM 0 HG SER A 12 -12.778 -6.616 8.642 1.00 0.00 H new ATOM 182 N TRP A 13 -13.704 -6.256 4.009 1.00 0.00 N ATOM 183 CA TRP A 13 -14.454 -7.167 3.161 1.00 0.00 C ATOM 184 C TRP A 13 -13.892 -7.250 1.738 1.00 0.00 C ATOM 185 O TRP A 13 -14.548 -7.773 0.841 1.00 0.00 O ATOM 186 CB TRP A 13 -15.952 -6.798 3.149 1.00 0.00 C ATOM 187 CG TRP A 13 -16.265 -5.383 2.727 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.293 -4.281 3.528 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.627 -4.926 1.410 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.632 -3.179 2.794 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.843 -3.542 1.500 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.782 -5.549 0.168 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.210 -2.769 0.405 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.147 -4.782 -0.918 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.355 -3.403 -0.792 1.00 0.00 C ATOM 0 H TRP A 13 -14.059 -5.300 4.008 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.346 -8.162 3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.472 -7.483 2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.357 -6.960 4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.079 -4.279 4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.714 -2.230 3.160 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.619 -6.611 0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.374 -1.706 0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.275 -5.253 -1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.637 -2.830 -1.663 1.00 0.00 H new ATOM 206 N CYS A 14 -12.690 -6.758 1.534 1.00 0.00 N ATOM 207 CA CYS A 14 -12.059 -6.862 0.230 1.00 0.00 C ATOM 208 C CYS A 14 -11.478 -8.270 0.089 1.00 0.00 C ATOM 209 O CYS A 14 -11.216 -8.934 1.092 1.00 0.00 O ATOM 210 CB CYS A 14 -10.951 -5.800 0.064 1.00 0.00 C ATOM 211 SG CYS A 14 -10.131 -5.802 -1.557 1.00 0.00 S ATOM 0 H CYS A 14 -12.131 -6.286 2.245 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.799 -6.682 -0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.383 -4.814 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.198 -5.957 0.837 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.813 -5.073 -2.389 1.00 0.00 H new ATOM 217 N GLY A 15 -11.308 -8.731 -1.120 1.00 0.00 N ATOM 218 CA GLY A 15 -10.750 -10.035 -1.322 1.00 0.00 C ATOM 219 C GLY A 15 -9.244 -10.017 -1.247 1.00 0.00 C ATOM 220 O GLY A 15 -8.627 -10.917 -0.692 1.00 0.00 O ATOM 0 H GLY A 15 -11.547 -8.225 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.143 -10.719 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.061 -10.417 -2.294 1.00 0.00 H new ATOM 224 N TYR A 16 -8.650 -8.966 -1.773 1.00 0.00 N ATOM 225 CA TYR A 16 -7.202 -8.865 -1.843 1.00 0.00 C ATOM 226 C TYR A 16 -6.539 -8.376 -0.568 1.00 0.00 C ATOM 227 O TYR A 16 -5.314 -8.426 -0.478 1.00 0.00 O ATOM 228 CB TYR A 16 -6.749 -8.000 -3.005 1.00 0.00 C ATOM 229 CG TYR A 16 -6.990 -8.595 -4.372 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.423 -9.816 -4.732 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.779 -7.938 -5.306 1.00 0.00 C ATOM 232 CE1 TYR A 16 -6.640 -10.356 -5.986 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.998 -8.471 -6.559 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.430 -9.677 -6.895 1.00 0.00 C ATOM 235 OH TYR A 16 -7.641 -10.204 -8.149 1.00 0.00 O ATOM 0 H TYR A 16 -9.148 -8.165 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.875 -9.894 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.263 -7.040 -2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.683 -7.798 -2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.806 -10.347 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.230 -6.992 -5.047 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.195 -11.303 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.613 -7.943 -7.273 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.220 -9.603 -8.663 1.00 0.00 H new ATOM 245 N CYS A 17 -7.315 -7.938 0.415 1.00 0.00 N ATOM 246 CA CYS A 17 -6.742 -7.361 1.633 1.00 0.00 C ATOM 247 C CYS A 17 -5.780 -8.341 2.332 1.00 0.00 C ATOM 248 O CYS A 17 -4.576 -8.088 2.400 1.00 0.00 O ATOM 249 CB CYS A 17 -7.846 -6.869 2.592 1.00 0.00 C ATOM 250 SG CYS A 17 -9.066 -8.121 3.056 1.00 0.00 S ATOM 0 H CYS A 17 -8.334 -7.969 0.398 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.153 -6.493 1.336 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.376 -6.487 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.365 -6.032 2.126 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.889 -8.312 2.068 1.00 0.00 H new ATOM 256 N LEU A 18 -6.302 -9.485 2.762 1.00 0.00 N ATOM 257 CA LEU A 18 -5.508 -10.497 3.476 1.00 0.00 C ATOM 258 C LEU A 18 -4.481 -11.163 2.555 1.00 0.00 C ATOM 259 O LEU A 18 -3.469 -11.706 3.019 1.00 0.00 O ATOM 260 CB LEU A 18 -6.398 -11.580 4.152 1.00 0.00 C ATOM 261 CG LEU A 18 -7.122 -12.612 3.244 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.790 -13.674 4.091 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.157 -11.959 2.344 1.00 0.00 C ATOM 0 H LEU A 18 -7.280 -9.742 2.630 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.976 -9.963 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.773 -12.134 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.157 -11.066 4.741 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.363 -13.066 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.294 -14.392 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.038 -14.190 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.520 -13.206 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.636 -12.720 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.909 -11.461 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.669 -11.226 1.701 1.00 0.00 H new ATOM 275 N ARG A 19 -4.735 -11.099 1.250 1.00 0.00 N ATOM 276 CA ARG A 19 -3.839 -11.704 0.271 1.00 0.00 C ATOM 277 C ARG A 19 -2.530 -10.930 0.282 1.00 0.00 C ATOM 278 O ARG A 19 -1.441 -11.490 0.465 1.00 0.00 O ATOM 279 CB ARG A 19 -4.432 -11.637 -1.150 1.00 0.00 C ATOM 280 CG ARG A 19 -5.857 -12.150 -1.291 1.00 0.00 C ATOM 281 CD ARG A 19 -6.015 -13.592 -0.872 1.00 0.00 C ATOM 282 NE ARG A 19 -7.413 -14.028 -0.973 1.00 0.00 N ATOM 283 CZ ARG A 19 -7.890 -15.208 -0.549 1.00 0.00 C ATOM 284 NH1 ARG A 19 -7.080 -16.094 0.035 1.00 0.00 N ATOM 285 NH2 ARG A 19 -9.174 -15.493 -0.719 1.00 0.00 N ATOM 0 H ARG A 19 -5.550 -10.636 0.849 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.689 -12.751 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.402 -10.601 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.790 -12.210 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.521 -11.529 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.174 -12.043 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.388 -14.226 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.667 -13.715 0.154 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.076 -13.381 -1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.092 -15.876 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.449 -16.989 0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.791 -14.817 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.544 -16.388 -0.399 1.00 0.00 H new ATOM 299 N LEU A 20 -2.675 -9.626 0.163 1.00 0.00 N ATOM 300 CA LEU A 20 -1.571 -8.705 0.095 1.00 0.00 C ATOM 301 C LEU A 20 -0.824 -8.594 1.437 1.00 0.00 C ATOM 302 O LEU A 20 0.407 -8.473 1.457 1.00 0.00 O ATOM 303 CB LEU A 20 -2.091 -7.347 -0.385 1.00 0.00 C ATOM 304 CG LEU A 20 -1.093 -6.199 -0.458 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.117 -6.548 -1.322 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.771 -4.952 -0.975 1.00 0.00 C ATOM 0 H LEU A 20 -3.587 -9.172 0.110 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.838 -9.081 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.521 -7.483 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.904 -7.045 0.276 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.727 -6.015 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.803 -5.701 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.626 -7.415 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.213 -6.777 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.048 -4.138 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.171 -5.142 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.585 -4.676 -0.304 1.00 0.00 H new ATOM 318 N LYS A 21 -1.564 -8.668 2.548 1.00 0.00 N ATOM 319 CA LYS A 21 -0.962 -8.598 3.901 1.00 0.00 C ATOM 320 C LYS A 21 0.110 -9.656 4.057 1.00 0.00 C ATOM 321 O LYS A 21 1.219 -9.381 4.524 1.00 0.00 O ATOM 322 CB LYS A 21 -2.012 -8.841 4.981 1.00 0.00 C ATOM 323 CG LYS A 21 -3.150 -7.861 5.002 1.00 0.00 C ATOM 324 CD LYS A 21 -2.728 -6.470 5.407 1.00 0.00 C ATOM 325 CE LYS A 21 -3.919 -5.554 5.335 1.00 0.00 C ATOM 326 NZ LYS A 21 -3.686 -4.258 5.968 1.00 0.00 N ATOM 0 H LYS A 21 -2.578 -8.776 2.547 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.536 -7.601 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.420 -9.843 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.520 -8.822 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.606 -7.822 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.915 -8.217 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.322 -6.480 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.937 -6.111 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.187 -5.398 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.771 -6.037 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.562 -3.698 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.392 -4.402 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.938 -3.750 5.454 1.00 0.00 H new ATOM 340 N THR A 22 -0.219 -10.847 3.623 1.00 0.00 N ATOM 341 CA THR A 22 0.650 -11.981 3.737 1.00 0.00 C ATOM 342 C THR A 22 1.916 -11.787 2.877 1.00 0.00 C ATOM 343 O THR A 22 3.033 -12.080 3.321 1.00 0.00 O ATOM 344 CB THR A 22 -0.112 -13.244 3.315 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.391 -13.262 4.005 1.00 0.00 O ATOM 346 CG2 THR A 22 0.672 -14.492 3.689 1.00 0.00 C ATOM 0 H THR A 22 -1.112 -11.054 3.175 1.00 0.00 H new ATOM 0 HA THR A 22 0.971 -12.088 4.773 1.00 0.00 H new ATOM 0 HB THR A 22 -0.255 -13.233 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.042 -12.731 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.115 -15.377 3.382 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.639 -14.479 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.825 -14.516 4.768 1.00 0.00 H new ATOM 354 N ALA A 23 1.736 -11.228 1.686 1.00 0.00 N ATOM 355 CA ALA A 23 2.840 -10.985 0.774 1.00 0.00 C ATOM 356 C ALA A 23 3.810 -9.961 1.367 1.00 0.00 C ATOM 357 O ALA A 23 5.039 -10.126 1.289 1.00 0.00 O ATOM 358 CB ALA A 23 2.319 -10.523 -0.582 1.00 0.00 C ATOM 0 H ALA A 23 0.827 -10.933 1.330 1.00 0.00 H new ATOM 0 HA ALA A 23 3.383 -11.919 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.159 -10.345 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.673 -11.292 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.752 -9.600 -0.459 1.00 0.00 H new ATOM 364 N LEU A 24 3.261 -8.925 1.987 1.00 0.00 N ATOM 365 CA LEU A 24 4.085 -7.894 2.606 1.00 0.00 C ATOM 366 C LEU A 24 4.807 -8.440 3.826 1.00 0.00 C ATOM 367 O LEU A 24 6.000 -8.188 4.011 1.00 0.00 O ATOM 368 CB LEU A 24 3.272 -6.658 3.007 1.00 0.00 C ATOM 369 CG LEU A 24 2.496 -5.895 1.921 1.00 0.00 C ATOM 370 CD1 LEU A 24 1.849 -4.675 2.535 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.382 -5.466 0.765 1.00 0.00 C ATOM 0 H LEU A 24 2.256 -8.776 2.075 1.00 0.00 H new ATOM 0 HA LEU A 24 4.813 -7.588 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.556 -6.967 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.956 -5.953 3.480 1.00 0.00 H new ATOM 0 HG LEU A 24 1.742 -6.573 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.298 -4.131 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.164 -4.985 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.619 -4.028 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.784 -4.932 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.171 -4.812 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.828 -6.346 0.302 1.00 0.00 H new ATOM 383 N THR A 25 4.094 -9.201 4.631 1.00 0.00 N ATOM 384 CA THR A 25 4.638 -9.786 5.844 1.00 0.00 C ATOM 385 C THR A 25 5.803 -10.748 5.522 1.00 0.00 C ATOM 386 O THR A 25 6.829 -10.741 6.198 1.00 0.00 O ATOM 387 CB THR A 25 3.520 -10.508 6.634 1.00 0.00 C ATOM 388 OG1 THR A 25 2.458 -9.567 6.901 1.00 0.00 O ATOM 389 CG2 THR A 25 4.037 -11.060 7.957 1.00 0.00 C ATOM 0 H THR A 25 3.115 -9.434 4.463 1.00 0.00 H new ATOM 0 HA THR A 25 5.038 -8.985 6.466 1.00 0.00 H new ATOM 0 HB THR A 25 3.160 -11.344 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.809 -9.590 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.225 -11.560 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.839 -11.773 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.418 -10.242 8.569 1.00 0.00 H new ATOM 397 N ALA A 26 5.670 -11.503 4.433 1.00 0.00 N ATOM 398 CA ALA A 26 6.704 -12.447 4.009 1.00 0.00 C ATOM 399 C ALA A 26 7.966 -11.720 3.522 1.00 0.00 C ATOM 400 O ALA A 26 9.042 -12.309 3.406 1.00 0.00 O ATOM 401 CB ALA A 26 6.168 -13.356 2.924 1.00 0.00 C ATOM 0 H ALA A 26 4.852 -11.479 3.825 1.00 0.00 H new ATOM 0 HA ALA A 26 6.982 -13.049 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.947 -14.054 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.312 -13.912 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.859 -12.757 2.067 1.00 0.00 H new ATOM 407 N ASN A 27 7.830 -10.447 3.243 1.00 0.00 N ATOM 408 CA ASN A 27 8.943 -9.638 2.794 1.00 0.00 C ATOM 409 C ASN A 27 9.342 -8.644 3.859 1.00 0.00 C ATOM 410 O ASN A 27 10.164 -7.756 3.621 1.00 0.00 O ATOM 411 CB ASN A 27 8.623 -8.946 1.469 1.00 0.00 C ATOM 412 CG ASN A 27 8.673 -9.902 0.289 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.724 -10.069 -0.336 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.560 -10.527 -0.034 1.00 0.00 N ATOM 0 H ASN A 27 6.948 -9.941 3.320 1.00 0.00 H new ATOM 0 HA ASN A 27 9.794 -10.296 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.632 -8.497 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.332 -8.134 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.549 -11.173 -0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.709 -10.365 0.505 1.00 0.00 H new ATOM 421 N ARG A 28 8.750 -8.828 5.051 1.00 0.00 N ATOM 422 CA ARG A 28 8.992 -8.012 6.248 1.00 0.00 C ATOM 423 C ARG A 28 8.765 -6.520 5.994 1.00 0.00 C ATOM 424 O ARG A 28 9.397 -5.668 6.626 1.00 0.00 O ATOM 425 CB ARG A 28 10.400 -8.261 6.816 1.00 0.00 C ATOM 426 CG ARG A 28 10.643 -9.692 7.269 1.00 0.00 C ATOM 427 CD ARG A 28 11.994 -9.829 7.947 1.00 0.00 C ATOM 428 NE ARG A 28 12.264 -11.209 8.372 1.00 0.00 N ATOM 429 CZ ARG A 28 13.218 -11.579 9.239 1.00 0.00 C ATOM 430 NH1 ARG A 28 14.018 -10.660 9.791 1.00 0.00 N ATOM 431 NH2 ARG A 28 13.371 -12.871 9.543 1.00 0.00 N ATOM 0 H ARG A 28 8.070 -9.571 5.211 1.00 0.00 H new ATOM 0 HA ARG A 28 8.260 -8.325 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.138 -8.002 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.563 -7.591 7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.855 -9.998 7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.594 -10.362 6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.777 -9.502 7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.032 -9.170 8.814 1.00 0.00 H new ATOM 0 HE ARG A 28 11.679 -11.945 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.903 -9.675 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.743 -10.944 10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.764 -13.571 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.095 -13.158 10.202 1.00 0.00 H new ATOM 445 N ILE A 29 7.833 -6.211 5.123 1.00 0.00 N ATOM 446 CA ILE A 29 7.559 -4.838 4.761 1.00 0.00 C ATOM 447 C ILE A 29 6.755 -4.150 5.864 1.00 0.00 C ATOM 448 O ILE A 29 5.738 -4.675 6.329 1.00 0.00 O ATOM 449 CB ILE A 29 6.798 -4.751 3.415 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.600 -5.489 2.324 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.588 -3.283 3.031 1.00 0.00 C ATOM 452 CD1 ILE A 29 6.878 -5.679 1.024 1.00 0.00 C ATOM 0 H ILE A 29 7.247 -6.897 4.648 1.00 0.00 H new ATOM 0 HA ILE A 29 8.514 -4.327 4.642 1.00 0.00 H new ATOM 0 HB ILE A 29 5.821 -5.224 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.520 -4.936 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.890 -6.467 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.052 -3.228 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.007 -2.784 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.556 -2.791 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.524 -6.207 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.972 -6.262 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.612 -4.706 0.610 1.00 0.00 H new ATOM 464 N ALA A 30 7.240 -3.011 6.295 1.00 0.00 N ATOM 465 CA ALA A 30 6.605 -2.218 7.321 1.00 0.00 C ATOM 466 C ALA A 30 5.540 -1.346 6.688 1.00 0.00 C ATOM 467 O ALA A 30 5.834 -0.568 5.786 1.00 0.00 O ATOM 468 CB ALA A 30 7.647 -1.350 7.982 1.00 0.00 C ATOM 0 H ALA A 30 8.103 -2.601 5.937 1.00 0.00 H new ATOM 0 HA ALA A 30 6.144 -2.867 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.178 -0.746 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.417 -1.981 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.100 -0.695 7.238 1.00 0.00 H new ATOM 474 N TYR A 31 4.317 -1.467 7.143 1.00 0.00 N ATOM 475 CA TYR A 31 3.235 -0.707 6.557 1.00 0.00 C ATOM 476 C TYR A 31 2.269 -0.183 7.601 1.00 0.00 C ATOM 477 O TYR A 31 2.284 -0.615 8.760 1.00 0.00 O ATOM 478 CB TYR A 31 2.484 -1.542 5.500 1.00 0.00 C ATOM 479 CG TYR A 31 1.860 -2.839 6.008 1.00 0.00 C ATOM 480 CD1 TYR A 31 2.585 -4.022 6.021 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.536 -2.881 6.437 1.00 0.00 C ATOM 482 CE1 TYR A 31 2.018 -5.206 6.450 1.00 0.00 C ATOM 483 CE2 TYR A 31 -0.041 -4.063 6.862 1.00 0.00 C ATOM 484 CZ TYR A 31 0.705 -5.220 6.865 1.00 0.00 C ATOM 485 OH TYR A 31 0.130 -6.398 7.273 1.00 0.00 O ATOM 0 H TYR A 31 4.045 -2.079 7.912 1.00 0.00 H new ATOM 0 HA TYR A 31 3.685 0.157 6.068 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.696 -0.925 5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.177 -1.784 4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.613 -4.017 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.050 -1.974 6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.601 -6.115 6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.070 -4.079 7.189 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.564 -6.210 7.939 1.00 0.00 H new ATOM 495 N ASP A 32 1.455 0.747 7.186 1.00 0.00 N ATOM 496 CA ASP A 32 0.403 1.326 7.999 1.00 0.00 C ATOM 497 C ASP A 32 -0.898 1.084 7.278 1.00 0.00 C ATOM 498 O ASP A 32 -0.919 1.101 6.064 1.00 0.00 O ATOM 499 CB ASP A 32 0.645 2.838 8.192 1.00 0.00 C ATOM 500 CG ASP A 32 -0.473 3.548 8.939 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.574 3.404 10.179 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.259 4.266 8.311 1.00 0.00 O ATOM 0 H ASP A 32 1.500 1.140 6.246 1.00 0.00 H new ATOM 0 HA ASP A 32 0.382 0.871 8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.580 2.981 8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.770 3.304 7.215 1.00 0.00 H new ATOM 507 N GLU A 33 -1.952 0.797 7.984 1.00 0.00 N ATOM 508 CA GLU A 33 -3.222 0.538 7.346 1.00 0.00 C ATOM 509 C GLU A 33 -4.338 1.311 8.010 1.00 0.00 C ATOM 510 O GLU A 33 -4.317 1.542 9.235 1.00 0.00 O ATOM 511 CB GLU A 33 -3.560 -0.948 7.390 1.00 0.00 C ATOM 512 CG GLU A 33 -3.601 -1.547 8.780 1.00 0.00 C ATOM 513 CD GLU A 33 -4.244 -2.885 8.762 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.543 -3.899 8.537 1.00 0.00 O ATOM 515 OE2 GLU A 33 -5.485 -2.954 8.883 1.00 0.00 O ATOM 0 H GLU A 33 -1.964 0.735 9.002 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.130 0.862 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.529 -1.100 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.825 -1.492 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.588 -1.631 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.149 -0.885 9.450 1.00 0.00 H new ATOM 522 N VAL A 34 -5.259 1.761 7.220 1.00 0.00 N ATOM 523 CA VAL A 34 -6.453 2.372 7.708 1.00 0.00 C ATOM 524 C VAL A 34 -7.616 1.889 6.848 1.00 0.00 C ATOM 525 O VAL A 34 -7.445 1.683 5.639 1.00 0.00 O ATOM 526 CB VAL A 34 -6.349 3.935 7.774 1.00 0.00 C ATOM 527 CG1 VAL A 34 -6.081 4.561 6.423 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.580 4.542 8.412 1.00 0.00 C ATOM 0 H VAL A 34 -5.202 1.714 6.203 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.621 2.070 8.742 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.488 4.158 8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.019 5.644 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.140 4.181 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.891 4.310 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.477 5.627 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.461 4.278 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.690 4.159 9.427 1.00 0.00 H new ATOM 538 N ASP A 35 -8.754 1.631 7.455 1.00 0.00 N ATOM 539 CA ASP A 35 -9.898 1.156 6.698 1.00 0.00 C ATOM 540 C ASP A 35 -10.523 2.317 5.947 1.00 0.00 C ATOM 541 O ASP A 35 -10.628 3.433 6.477 1.00 0.00 O ATOM 542 CB ASP A 35 -10.920 0.507 7.628 1.00 0.00 C ATOM 543 CG ASP A 35 -12.126 -0.015 6.892 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.115 -1.185 6.455 1.00 0.00 O ATOM 545 OD2 ASP A 35 -13.108 0.725 6.756 1.00 0.00 O ATOM 0 H ASP A 35 -8.914 1.739 8.457 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.567 0.404 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.445 -0.313 8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.241 1.235 8.373 1.00 0.00 H new ATOM 550 N ILE A 36 -10.964 2.063 4.743 1.00 0.00 N ATOM 551 CA ILE A 36 -11.459 3.131 3.902 1.00 0.00 C ATOM 552 C ILE A 36 -12.894 3.514 4.166 1.00 0.00 C ATOM 553 O ILE A 36 -13.271 4.634 3.927 1.00 0.00 O ATOM 554 CB ILE A 36 -11.242 2.872 2.406 1.00 0.00 C ATOM 555 CG1 ILE A 36 -12.065 1.686 1.904 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.777 2.631 2.176 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.998 1.479 0.399 1.00 0.00 C ATOM 0 H ILE A 36 -10.992 1.135 4.321 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.847 3.986 4.189 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.577 3.744 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.718 0.780 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.106 1.830 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.601 2.444 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.210 3.508 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.455 1.765 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.608 0.619 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.374 2.368 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.964 1.301 0.102 1.00 0.00 H new ATOM 569 N GLU A 37 -13.698 2.618 4.673 1.00 0.00 N ATOM 570 CA GLU A 37 -15.075 2.981 4.864 1.00 0.00 C ATOM 571 C GLU A 37 -15.287 3.706 6.164 1.00 0.00 C ATOM 572 O GLU A 37 -16.343 4.297 6.402 1.00 0.00 O ATOM 573 CB GLU A 37 -16.056 1.845 4.597 1.00 0.00 C ATOM 574 CG GLU A 37 -15.729 0.528 5.244 1.00 0.00 C ATOM 575 CD GLU A 37 -16.663 -0.553 4.802 1.00 0.00 C ATOM 576 OE1 GLU A 37 -16.962 -0.634 3.596 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.132 -1.339 5.648 1.00 0.00 O ATOM 0 H GLU A 37 -13.439 1.671 4.951 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.319 3.703 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -17.044 2.158 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.120 1.692 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.705 0.247 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.780 0.632 6.328 1.00 0.00 H new ATOM 584 N HIS A 38 -14.278 3.684 6.998 1.00 0.00 N ATOM 585 CA HIS A 38 -14.286 4.498 8.182 1.00 0.00 C ATOM 586 C HIS A 38 -13.811 5.901 7.800 1.00 0.00 C ATOM 587 O HIS A 38 -14.449 6.894 8.122 1.00 0.00 O ATOM 588 CB HIS A 38 -13.382 3.911 9.274 1.00 0.00 C ATOM 589 CG HIS A 38 -13.388 4.702 10.558 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.413 5.614 10.907 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.279 4.702 11.578 1.00 0.00 C ATOM 592 CE1 HIS A 38 -12.727 6.127 12.093 1.00 0.00 C ATOM 593 NE2 HIS A 38 -13.860 5.608 12.554 1.00 0.00 N ATOM 0 H HIS A 38 -13.443 3.111 6.877 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.298 4.534 8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.699 2.890 9.486 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.361 3.856 8.897 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.592 5.854 10.351 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.172 4.097 11.628 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -12.138 6.868 12.613 1.00 0.00 H new ATOM 601 N ASN A 39 -12.704 5.965 7.099 1.00 0.00 N ATOM 602 CA ASN A 39 -12.136 7.237 6.681 1.00 0.00 C ATOM 603 C ASN A 39 -12.662 7.645 5.330 1.00 0.00 C ATOM 604 O ASN A 39 -12.148 7.221 4.298 1.00 0.00 O ATOM 605 CB ASN A 39 -10.604 7.206 6.667 1.00 0.00 C ATOM 606 CG ASN A 39 -9.984 7.170 8.037 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.569 6.675 9.002 1.00 0.00 O ATOM 608 ND2 ASN A 39 -8.794 7.679 8.136 1.00 0.00 N ATOM 0 H ASN A 39 -12.171 5.148 6.801 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.445 7.979 7.417 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.273 6.332 6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.237 8.084 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.312 7.678 9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.341 8.080 7.315 1.00 0.00 H new ATOM 615 N ARG A 40 -13.676 8.477 5.347 1.00 0.00 N ATOM 616 CA ARG A 40 -14.370 8.932 4.148 1.00 0.00 C ATOM 617 C ARG A 40 -13.424 9.636 3.166 1.00 0.00 C ATOM 618 O ARG A 40 -13.514 9.440 1.955 1.00 0.00 O ATOM 619 CB ARG A 40 -15.516 9.859 4.544 1.00 0.00 C ATOM 620 CG ARG A 40 -16.413 10.279 3.395 1.00 0.00 C ATOM 621 CD ARG A 40 -17.528 11.183 3.881 1.00 0.00 C ATOM 622 NE ARG A 40 -18.353 10.538 4.920 1.00 0.00 N ATOM 623 CZ ARG A 40 -19.050 11.191 5.865 1.00 0.00 C ATOM 624 NH1 ARG A 40 -18.993 12.523 5.943 1.00 0.00 N ATOM 625 NH2 ARG A 40 -19.772 10.509 6.745 1.00 0.00 N ATOM 0 H ARG A 40 -14.056 8.869 6.209 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.767 8.056 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.124 9.361 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.099 10.753 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.823 10.797 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.838 9.396 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.100 12.104 4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.160 11.463 3.038 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.398 9.519 4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.419 13.048 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.524 13.015 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.797 9.490 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.302 11.004 7.463 1.00 0.00 H new ATOM 639 N ALA A 41 -12.501 10.424 3.691 1.00 0.00 N ATOM 640 CA ALA A 41 -11.544 11.139 2.852 1.00 0.00 C ATOM 641 C ALA A 41 -10.593 10.161 2.193 1.00 0.00 C ATOM 642 O ALA A 41 -10.177 10.353 1.043 1.00 0.00 O ATOM 643 CB ALA A 41 -10.769 12.158 3.664 1.00 0.00 C ATOM 0 H ALA A 41 -12.391 10.587 4.692 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.098 11.670 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.062 12.678 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.461 12.879 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.225 11.651 4.461 1.00 0.00 H new ATOM 649 N ALA A 42 -10.274 9.099 2.905 1.00 0.00 N ATOM 650 CA ALA A 42 -9.403 8.080 2.376 1.00 0.00 C ATOM 651 C ALA A 42 -10.133 7.295 1.322 1.00 0.00 C ATOM 652 O ALA A 42 -9.585 7.032 0.272 1.00 0.00 O ATOM 653 CB ALA A 42 -8.897 7.163 3.465 1.00 0.00 C ATOM 0 H ALA A 42 -10.608 8.923 3.853 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.534 8.565 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.243 6.407 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.340 7.744 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.742 6.675 3.952 1.00 0.00 H new ATOM 659 N ALA A 43 -11.394 6.957 1.613 1.00 0.00 N ATOM 660 CA ALA A 43 -12.274 6.234 0.694 1.00 0.00 C ATOM 661 C ALA A 43 -12.405 6.966 -0.614 1.00 0.00 C ATOM 662 O ALA A 43 -12.324 6.365 -1.684 1.00 0.00 O ATOM 663 CB ALA A 43 -13.647 6.072 1.303 1.00 0.00 C ATOM 0 H ALA A 43 -11.836 7.181 2.505 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.831 5.255 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.292 5.533 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.568 5.512 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.074 7.054 1.505 1.00 0.00 H new ATOM 669 N GLU A 44 -12.593 8.259 -0.518 1.00 0.00 N ATOM 670 CA GLU A 44 -12.719 9.099 -1.673 1.00 0.00 C ATOM 671 C GLU A 44 -11.422 9.044 -2.482 1.00 0.00 C ATOM 672 O GLU A 44 -11.437 8.835 -3.695 1.00 0.00 O ATOM 673 CB GLU A 44 -13.001 10.523 -1.230 1.00 0.00 C ATOM 674 CG GLU A 44 -13.432 11.427 -2.349 1.00 0.00 C ATOM 675 CD GLU A 44 -14.742 10.975 -2.950 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.809 11.397 -2.447 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.740 10.195 -3.919 1.00 0.00 O ATOM 0 H GLU A 44 -12.663 8.756 0.370 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.542 8.752 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.778 10.510 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.104 10.935 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.533 12.446 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.663 11.445 -3.121 1.00 0.00 H new ATOM 684 N PHE A 45 -10.314 9.187 -1.785 1.00 0.00 N ATOM 685 CA PHE A 45 -8.989 9.156 -2.381 1.00 0.00 C ATOM 686 C PHE A 45 -8.724 7.814 -3.090 1.00 0.00 C ATOM 687 O PHE A 45 -8.457 7.782 -4.298 1.00 0.00 O ATOM 688 CB PHE A 45 -7.936 9.418 -1.296 1.00 0.00 C ATOM 689 CG PHE A 45 -6.522 9.364 -1.778 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.974 10.423 -2.479 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.738 8.251 -1.528 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.670 10.375 -2.922 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.437 8.200 -1.967 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.900 9.264 -2.667 1.00 0.00 C ATOM 0 H PHE A 45 -10.305 9.330 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.927 9.938 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.120 10.399 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.063 8.685 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.575 11.297 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.152 7.416 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.253 11.208 -3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.833 7.328 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.878 9.223 -3.013 1.00 0.00 H new ATOM 704 N VAL A 46 -8.848 6.718 -2.350 1.00 0.00 N ATOM 705 CA VAL A 46 -8.606 5.381 -2.883 1.00 0.00 C ATOM 706 C VAL A 46 -9.591 5.039 -3.998 1.00 0.00 C ATOM 707 O VAL A 46 -9.213 4.442 -4.982 1.00 0.00 O ATOM 708 CB VAL A 46 -8.578 4.286 -1.764 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.821 4.284 -0.979 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.387 2.918 -2.322 1.00 0.00 C ATOM 0 H VAL A 46 -9.118 6.730 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.609 5.390 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.732 4.540 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.766 3.511 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.954 5.257 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.666 4.082 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.374 2.192 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.205 2.685 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.441 2.874 -2.863 1.00 0.00 H new ATOM 720 N GLY A 47 -10.827 5.498 -3.870 1.00 0.00 N ATOM 721 CA GLY A 47 -11.827 5.258 -4.888 1.00 0.00 C ATOM 722 C GLY A 47 -11.503 5.977 -6.185 1.00 0.00 C ATOM 723 O GLY A 47 -11.896 5.536 -7.262 1.00 0.00 O ATOM 0 H GLY A 47 -11.157 6.038 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.903 4.187 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.800 5.587 -4.525 1.00 0.00 H new ATOM 727 N SER A 48 -10.770 7.064 -6.084 1.00 0.00 N ATOM 728 CA SER A 48 -10.388 7.842 -7.240 1.00 0.00 C ATOM 729 C SER A 48 -9.202 7.185 -7.966 1.00 0.00 C ATOM 730 O SER A 48 -9.151 7.156 -9.202 1.00 0.00 O ATOM 731 CB SER A 48 -10.018 9.264 -6.814 1.00 0.00 C ATOM 732 OG SER A 48 -11.066 9.882 -6.066 1.00 0.00 O ATOM 0 H SER A 48 -10.423 7.433 -5.199 1.00 0.00 H new ATOM 0 HA SER A 48 -11.234 7.883 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.109 9.239 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.800 9.863 -7.698 1.00 0.00 H new ATOM 0 HG SER A 48 -11.098 9.495 -5.166 1.00 0.00 H new ATOM 738 N VAL A 49 -8.280 6.627 -7.195 1.00 0.00 N ATOM 739 CA VAL A 49 -7.062 6.012 -7.747 1.00 0.00 C ATOM 740 C VAL A 49 -7.241 4.515 -7.945 1.00 0.00 C ATOM 741 O VAL A 49 -6.304 3.794 -8.303 1.00 0.00 O ATOM 742 CB VAL A 49 -5.832 6.253 -6.829 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.554 7.725 -6.698 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.052 5.657 -5.455 1.00 0.00 C ATOM 0 H VAL A 49 -8.345 6.583 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.885 6.487 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.974 5.763 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.689 7.876 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.349 8.146 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.422 8.222 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.175 5.841 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.926 6.118 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.213 4.583 -5.546 1.00 0.00 H new ATOM 754 N ASN A 50 -8.427 4.055 -7.714 1.00 0.00 N ATOM 755 CA ASN A 50 -8.718 2.649 -7.830 1.00 0.00 C ATOM 756 C ASN A 50 -9.035 2.311 -9.266 1.00 0.00 C ATOM 757 O ASN A 50 -9.037 3.190 -10.141 1.00 0.00 O ATOM 758 CB ASN A 50 -9.937 2.275 -6.984 1.00 0.00 C ATOM 759 CG ASN A 50 -9.663 1.174 -5.996 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.509 0.316 -5.742 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.529 1.211 -5.384 1.00 0.00 N ATOM 0 H ASN A 50 -9.222 4.632 -7.441 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.844 2.097 -7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.282 3.158 -6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.748 1.967 -7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.313 0.517 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.848 1.934 -5.616 1.00 0.00 H new ATOM 768 N GLY A 51 -9.344 1.056 -9.505 1.00 0.00 N ATOM 769 CA GLY A 51 -9.726 0.626 -10.815 1.00 0.00 C ATOM 770 C GLY A 51 -11.177 0.949 -11.065 1.00 0.00 C ATOM 771 O GLY A 51 -12.050 0.098 -10.899 1.00 0.00 O ATOM 0 H GLY A 51 -9.336 0.319 -8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.103 1.116 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.562 -0.447 -10.916 1.00 0.00 H new ATOM 775 N GLY A 52 -11.440 2.190 -11.386 1.00 0.00 N ATOM 776 CA GLY A 52 -12.784 2.627 -11.667 1.00 0.00 C ATOM 777 C GLY A 52 -13.509 3.060 -10.413 1.00 0.00 C ATOM 778 O GLY A 52 -13.826 4.242 -10.245 1.00 0.00 O ATOM 0 H GLY A 52 -10.734 2.922 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.756 3.456 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.336 1.818 -12.145 1.00 0.00 H new ATOM 782 N ASN A 53 -13.726 2.129 -9.522 1.00 0.00 N ATOM 783 CA ASN A 53 -14.457 2.385 -8.294 1.00 0.00 C ATOM 784 C ASN A 53 -13.775 1.673 -7.148 1.00 0.00 C ATOM 785 O ASN A 53 -12.855 0.890 -7.371 1.00 0.00 O ATOM 786 CB ASN A 53 -15.920 1.908 -8.406 1.00 0.00 C ATOM 787 CG ASN A 53 -16.049 0.398 -8.597 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.128 -0.358 -7.637 1.00 0.00 O ATOM 789 ND2 ASN A 53 -16.090 -0.043 -9.822 1.00 0.00 N ATOM 0 H ASN A 53 -13.403 1.167 -9.621 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.464 3.460 -8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.461 2.201 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.397 2.416 -9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.190 -1.042 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.022 0.611 -10.602 1.00 0.00 H new ATOM 796 N ARG A 54 -14.222 1.963 -5.939 1.00 0.00 N ATOM 797 CA ARG A 54 -13.698 1.365 -4.709 1.00 0.00 C ATOM 798 C ARG A 54 -13.908 -0.172 -4.679 1.00 0.00 C ATOM 799 O ARG A 54 -15.041 -0.673 -4.561 1.00 0.00 O ATOM 800 CB ARG A 54 -14.365 2.050 -3.491 1.00 0.00 C ATOM 801 CG ARG A 54 -15.889 1.893 -3.451 1.00 0.00 C ATOM 802 CD ARG A 54 -16.554 2.866 -2.512 1.00 0.00 C ATOM 803 NE ARG A 54 -16.171 2.717 -1.101 1.00 0.00 N ATOM 804 CZ ARG A 54 -16.149 3.741 -0.229 1.00 0.00 C ATOM 805 NH1 ARG A 54 -16.347 4.983 -0.658 1.00 0.00 N ATOM 806 NH2 ARG A 54 -15.927 3.515 1.063 1.00 0.00 N ATOM 0 H ARG A 54 -14.974 2.633 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.621 1.528 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.942 1.635 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.119 3.112 -3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.290 2.033 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.137 0.876 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.317 3.880 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.635 2.750 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.909 1.790 -0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.516 5.160 -1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.330 5.760 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.773 2.563 1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.911 4.294 1.722 1.00 0.00 H new ATOM 820 N THR A 55 -12.841 -0.903 -4.819 1.00 0.00 N ATOM 821 CA THR A 55 -12.915 -2.342 -4.772 1.00 0.00 C ATOM 822 C THR A 55 -11.572 -2.969 -4.373 1.00 0.00 C ATOM 823 O THR A 55 -11.523 -3.899 -3.549 1.00 0.00 O ATOM 824 CB THR A 55 -13.476 -2.954 -6.116 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.535 -4.389 -6.057 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.658 -2.519 -7.334 1.00 0.00 C ATOM 0 H THR A 55 -11.904 -0.529 -4.967 1.00 0.00 H new ATOM 0 HA THR A 55 -13.631 -2.596 -3.990 1.00 0.00 H new ATOM 0 HB THR A 55 -14.488 -2.565 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.888 -4.737 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.081 -2.964 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.683 -1.433 -7.420 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.626 -2.850 -7.216 1.00 0.00 H new ATOM 834 N VAL A 56 -10.497 -2.425 -4.877 1.00 0.00 N ATOM 835 CA VAL A 56 -9.201 -2.996 -4.637 1.00 0.00 C ATOM 836 C VAL A 56 -8.373 -2.145 -3.687 1.00 0.00 C ATOM 837 O VAL A 56 -8.534 -0.923 -3.640 1.00 0.00 O ATOM 838 CB VAL A 56 -8.419 -3.260 -5.956 1.00 0.00 C ATOM 839 CG1 VAL A 56 -9.033 -4.415 -6.731 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.366 -2.019 -6.838 1.00 0.00 C ATOM 0 H VAL A 56 -10.494 -1.586 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.378 -3.960 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.399 -3.523 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.468 -4.579 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.005 -5.318 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.067 -4.177 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.812 -2.244 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.380 -1.713 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.869 -1.212 -6.301 1.00 0.00 H new ATOM 850 N PRO A 57 -7.485 -2.778 -2.899 1.00 0.00 N ATOM 851 CA PRO A 57 -6.610 -2.064 -1.983 1.00 0.00 C ATOM 852 C PRO A 57 -5.638 -1.165 -2.745 1.00 0.00 C ATOM 853 O PRO A 57 -5.341 -1.396 -3.928 1.00 0.00 O ATOM 854 CB PRO A 57 -5.852 -3.180 -1.241 1.00 0.00 C ATOM 855 CG PRO A 57 -5.960 -4.370 -2.120 1.00 0.00 C ATOM 856 CD PRO A 57 -7.268 -4.235 -2.839 1.00 0.00 C ATOM 0 HA PRO A 57 -7.160 -1.409 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.810 -2.906 -1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.291 -3.372 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.130 -4.411 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.929 -5.290 -1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.224 -4.675 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.073 -4.738 -2.303 1.00 0.00 H new ATOM 864 N THR A 58 -5.209 -0.122 -2.127 1.00 0.00 N ATOM 865 CA THR A 58 -4.278 0.780 -2.738 1.00 0.00 C ATOM 866 C THR A 58 -3.271 1.224 -1.688 1.00 0.00 C ATOM 867 O THR A 58 -3.636 1.406 -0.522 1.00 0.00 O ATOM 868 CB THR A 58 -5.033 1.999 -3.312 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.058 1.514 -4.169 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.132 2.891 -4.143 1.00 0.00 C ATOM 0 H THR A 58 -5.490 0.137 -1.181 1.00 0.00 H new ATOM 0 HA THR A 58 -3.755 0.284 -3.556 1.00 0.00 H new ATOM 0 HB THR A 58 -5.421 2.580 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.918 1.860 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.707 3.734 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.314 3.260 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.726 2.321 -4.978 1.00 0.00 H new ATOM 878 N VAL A 59 -2.023 1.347 -2.068 1.00 0.00 N ATOM 879 CA VAL A 59 -1.006 1.780 -1.138 1.00 0.00 C ATOM 880 C VAL A 59 -0.561 3.196 -1.453 1.00 0.00 C ATOM 881 O VAL A 59 -0.324 3.538 -2.614 1.00 0.00 O ATOM 882 CB VAL A 59 0.228 0.825 -1.111 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.164 -0.543 -0.612 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.868 0.701 -2.476 1.00 0.00 C ATOM 0 H VAL A 59 -1.686 1.154 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.458 1.754 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 59 0.956 1.263 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.712 -1.191 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.566 -0.461 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.922 -0.967 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.723 0.028 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.141 0.303 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.201 1.683 -2.812 1.00 0.00 H new ATOM 894 N LYS A 60 -0.514 4.016 -0.440 1.00 0.00 N ATOM 895 CA LYS A 60 -0.027 5.375 -0.558 1.00 0.00 C ATOM 896 C LYS A 60 1.349 5.403 0.061 1.00 0.00 C ATOM 897 O LYS A 60 1.492 5.106 1.239 1.00 0.00 O ATOM 898 CB LYS A 60 -0.949 6.340 0.197 1.00 0.00 C ATOM 899 CG LYS A 60 -0.606 7.822 0.010 1.00 0.00 C ATOM 900 CD LYS A 60 -1.481 8.723 0.881 1.00 0.00 C ATOM 901 CE LYS A 60 -1.172 8.538 2.365 1.00 0.00 C ATOM 902 NZ LYS A 60 -2.063 9.336 3.234 1.00 0.00 N ATOM 0 H LYS A 60 -0.814 3.764 0.502 1.00 0.00 H new ATOM 0 HA LYS A 60 0.000 5.683 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.975 6.173 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.911 6.102 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.443 7.986 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.733 8.095 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.323 9.765 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.532 8.500 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.267 7.483 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.137 8.821 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.758 9.241 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.018 10.336 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.040 8.993 3.138 1.00 0.00 H new ATOM 916 N PHE A 61 2.338 5.729 -0.711 1.00 0.00 N ATOM 917 CA PHE A 61 3.708 5.690 -0.240 1.00 0.00 C ATOM 918 C PHE A 61 4.103 6.953 0.479 1.00 0.00 C ATOM 919 O PHE A 61 3.390 7.959 0.446 1.00 0.00 O ATOM 920 CB PHE A 61 4.677 5.460 -1.394 1.00 0.00 C ATOM 921 CG PHE A 61 4.539 4.141 -2.067 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.596 3.957 -3.050 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.362 3.083 -1.719 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.466 2.754 -3.675 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.240 1.866 -2.347 1.00 0.00 C ATOM 926 CZ PHE A 61 4.289 1.702 -3.327 1.00 0.00 C ATOM 0 H PHE A 61 2.232 6.029 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 61 3.763 4.859 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.533 6.247 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.696 5.557 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.950 4.776 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.106 3.215 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.718 2.623 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.886 1.045 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.186 0.749 -3.825 1.00 0.00 H new ATOM 936 N ALA A 62 5.283 6.896 1.077 1.00 0.00 N ATOM 937 CA ALA A 62 5.913 8.002 1.793 1.00 0.00 C ATOM 938 C ALA A 62 6.220 9.189 0.875 1.00 0.00 C ATOM 939 O ALA A 62 6.630 10.262 1.345 1.00 0.00 O ATOM 940 CB ALA A 62 7.199 7.514 2.447 1.00 0.00 C ATOM 0 H ALA A 62 5.851 6.049 1.079 1.00 0.00 H new ATOM 0 HA ALA A 62 5.210 8.349 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.671 8.338 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.969 6.711 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.879 7.143 1.680 1.00 0.00 H new ATOM 946 N ASP A 63 6.084 8.981 -0.422 1.00 0.00 N ATOM 947 CA ASP A 63 6.304 10.041 -1.387 1.00 0.00 C ATOM 948 C ASP A 63 4.987 10.726 -1.732 1.00 0.00 C ATOM 949 O ASP A 63 4.977 11.790 -2.353 1.00 0.00 O ATOM 950 CB ASP A 63 6.966 9.524 -2.680 1.00 0.00 C ATOM 951 CG ASP A 63 6.047 8.705 -3.575 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.245 9.288 -4.315 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.139 7.463 -3.584 1.00 0.00 O ATOM 0 H ASP A 63 5.821 8.085 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 63 6.984 10.756 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.340 10.376 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.830 8.915 -2.413 1.00 0.00 H new ATOM 958 N GLY A 64 3.880 10.107 -1.351 1.00 0.00 N ATOM 959 CA GLY A 64 2.579 10.679 -1.617 1.00 0.00 C ATOM 960 C GLY A 64 1.835 10.013 -2.771 1.00 0.00 C ATOM 961 O GLY A 64 0.614 10.133 -2.867 1.00 0.00 O ATOM 0 H GLY A 64 3.861 9.213 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.970 10.607 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.698 11.740 -1.838 1.00 0.00 H new ATOM 965 N SER A 65 2.544 9.336 -3.655 1.00 0.00 N ATOM 966 CA SER A 65 1.893 8.675 -4.767 1.00 0.00 C ATOM 967 C SER A 65 1.402 7.291 -4.360 1.00 0.00 C ATOM 968 O SER A 65 1.867 6.714 -3.358 1.00 0.00 O ATOM 969 CB SER A 65 2.829 8.585 -5.961 1.00 0.00 C ATOM 970 OG SER A 65 3.373 9.861 -6.260 1.00 0.00 O ATOM 0 H SER A 65 3.558 9.231 -3.625 1.00 0.00 H new ATOM 0 HA SER A 65 1.027 9.270 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.633 7.880 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.289 8.201 -6.826 1.00 0.00 H new ATOM 0 HG SER A 65 4.162 10.019 -5.701 1.00 0.00 H new ATOM 976 N THR A 66 0.487 6.768 -5.120 1.00 0.00 N ATOM 977 CA THR A 66 -0.109 5.503 -4.848 1.00 0.00 C ATOM 978 C THR A 66 0.250 4.473 -5.891 1.00 0.00 C ATOM 979 O THR A 66 0.822 4.795 -6.919 1.00 0.00 O ATOM 980 CB THR A 66 -1.638 5.656 -4.842 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.044 6.518 -5.931 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.133 6.210 -3.529 1.00 0.00 C ATOM 0 H THR A 66 0.130 7.221 -5.961 1.00 0.00 H new ATOM 0 HA THR A 66 0.264 5.167 -3.881 1.00 0.00 H new ATOM 0 HB THR A 66 -2.080 4.668 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.019 6.487 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.218 6.305 -3.560 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.851 5.536 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.688 7.190 -3.357 1.00 0.00 H new ATOM 990 N LEU A 67 -0.027 3.248 -5.579 1.00 0.00 N ATOM 991 CA LEU A 67 -0.013 2.166 -6.528 1.00 0.00 C ATOM 992 C LEU A 67 -1.219 1.315 -6.224 1.00 0.00 C ATOM 993 O LEU A 67 -1.372 0.823 -5.088 1.00 0.00 O ATOM 994 CB LEU A 67 1.294 1.308 -6.515 1.00 0.00 C ATOM 995 CG LEU A 67 2.600 1.955 -7.049 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.764 0.970 -6.962 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.433 2.402 -8.495 1.00 0.00 C ATOM 0 H LEU A 67 -0.277 2.958 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.043 2.585 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.475 0.992 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.106 0.406 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 67 2.814 2.825 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.670 1.443 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.915 0.676 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.539 0.087 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.362 2.852 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.190 1.540 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.628 3.134 -8.559 1.00 0.00 H new ATOM 1009 N THR A 68 -2.120 1.247 -7.171 1.00 0.00 N ATOM 1010 CA THR A 68 -3.308 0.441 -7.074 1.00 0.00 C ATOM 1011 C THR A 68 -2.863 -1.021 -6.963 1.00 0.00 C ATOM 1012 O THR A 68 -1.948 -1.417 -7.692 1.00 0.00 O ATOM 1013 CB THR A 68 -4.139 0.669 -8.343 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.177 2.092 -8.594 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.562 0.154 -8.166 1.00 0.00 C ATOM 0 H THR A 68 -2.046 1.761 -8.049 1.00 0.00 H new ATOM 0 HA THR A 68 -3.914 0.700 -6.206 1.00 0.00 H new ATOM 0 HB THR A 68 -3.686 0.131 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.075 2.434 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.129 0.329 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.538 -0.915 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.039 0.679 -7.338 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.555 -1.786 -6.088 1.00 0.00 N ATOM 1024 CA ASN A 69 -3.204 -3.172 -5.626 1.00 0.00 C ATOM 1025 C ASN A 69 -1.985 -3.808 -6.304 1.00 0.00 C ATOM 1026 O ASN A 69 -2.084 -4.449 -7.363 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.416 -4.091 -5.735 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.156 -5.522 -5.289 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -3.392 -5.774 -4.364 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.781 -6.465 -5.949 1.00 0.00 N ATOM 0 H ASN A 69 -4.416 -1.449 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.908 -3.051 -4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.227 -3.677 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.758 -4.101 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.639 -7.443 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.410 -6.221 -6.714 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.813 -3.547 -5.726 1.00 0.00 N ATOM 1038 CA PRO A 70 0.439 -4.094 -6.165 1.00 0.00 C ATOM 1039 C PRO A 70 0.855 -5.302 -5.335 1.00 0.00 C ATOM 1040 O PRO A 70 0.315 -5.562 -4.262 1.00 0.00 O ATOM 1041 CB PRO A 70 1.407 -2.933 -5.924 1.00 0.00 C ATOM 1042 CG PRO A 70 0.738 -2.047 -4.901 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.608 -2.641 -4.602 1.00 0.00 C ATOM 0 HA PRO A 70 0.405 -4.448 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.369 -3.295 -5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.601 -2.387 -6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.340 -1.986 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.633 -1.032 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.615 -3.170 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.385 -1.878 -4.549 1.00 0.00 H new ATOM 1051 N SER A 71 1.785 -6.032 -5.838 1.00 0.00 N ATOM 1052 CA SER A 71 2.307 -7.165 -5.146 1.00 0.00 C ATOM 1053 C SER A 71 3.506 -6.697 -4.297 1.00 0.00 C ATOM 1054 O SER A 71 3.963 -5.548 -4.458 1.00 0.00 O ATOM 1055 CB SER A 71 2.728 -8.178 -6.186 1.00 0.00 C ATOM 1056 OG SER A 71 1.738 -8.246 -7.215 1.00 0.00 O ATOM 0 H SER A 71 2.212 -5.862 -6.749 1.00 0.00 H new ATOM 0 HA SER A 71 1.572 -7.621 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.692 -7.898 -6.612 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.856 -9.157 -5.724 1.00 0.00 H new ATOM 0 HG SER A 71 1.880 -7.516 -7.854 1.00 0.00 H new ATOM 1062 N ALA A 72 4.026 -7.565 -3.433 1.00 0.00 N ATOM 1063 CA ALA A 72 5.127 -7.219 -2.532 1.00 0.00 C ATOM 1064 C ALA A 72 6.362 -6.782 -3.304 1.00 0.00 C ATOM 1065 O ALA A 72 7.016 -5.827 -2.928 1.00 0.00 O ATOM 1066 CB ALA A 72 5.445 -8.386 -1.619 1.00 0.00 C ATOM 0 H ALA A 72 3.699 -8.526 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 72 4.810 -6.374 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.265 -8.115 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.565 -8.635 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.734 -9.249 -2.219 1.00 0.00 H new ATOM 1072 N ASP A 73 6.638 -7.449 -4.406 1.00 0.00 N ATOM 1073 CA ASP A 73 7.802 -7.116 -5.253 1.00 0.00 C ATOM 1074 C ASP A 73 7.700 -5.702 -5.768 1.00 0.00 C ATOM 1075 O ASP A 73 8.642 -4.909 -5.650 1.00 0.00 O ATOM 1076 CB ASP A 73 7.916 -8.060 -6.452 1.00 0.00 C ATOM 1077 CG ASP A 73 8.236 -9.472 -6.078 1.00 0.00 C ATOM 1078 OD1 ASP A 73 7.305 -10.261 -5.809 1.00 0.00 O ATOM 1079 OD2 ASP A 73 9.421 -9.838 -6.056 1.00 0.00 O ATOM 0 H ASP A 73 6.080 -8.230 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 73 8.688 -7.224 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.977 -8.044 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.689 -7.688 -7.124 1.00 0.00 H new ATOM 1084 N GLU A 74 6.528 -5.384 -6.287 1.00 0.00 N ATOM 1085 CA GLU A 74 6.240 -4.093 -6.887 1.00 0.00 C ATOM 1086 C GLU A 74 6.377 -2.964 -5.864 1.00 0.00 C ATOM 1087 O GLU A 74 6.949 -1.907 -6.158 1.00 0.00 O ATOM 1088 CB GLU A 74 4.834 -4.111 -7.490 1.00 0.00 C ATOM 1089 CG GLU A 74 4.633 -5.211 -8.524 1.00 0.00 C ATOM 1090 CD GLU A 74 3.229 -5.262 -9.063 1.00 0.00 C ATOM 1091 OE1 GLU A 74 2.379 -5.970 -8.480 1.00 0.00 O ATOM 1092 OE2 GLU A 74 2.944 -4.608 -10.079 1.00 0.00 O ATOM 0 H GLU A 74 5.736 -6.026 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 74 6.966 -3.906 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.105 -4.238 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.633 -3.145 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.328 -5.057 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.879 -6.173 -8.075 1.00 0.00 H new ATOM 1099 N VAL A 75 5.872 -3.190 -4.659 1.00 0.00 N ATOM 1100 CA VAL A 75 5.975 -2.186 -3.612 1.00 0.00 C ATOM 1101 C VAL A 75 7.395 -2.044 -3.066 1.00 0.00 C ATOM 1102 O VAL A 75 7.850 -0.924 -2.846 1.00 0.00 O ATOM 1103 CB VAL A 75 4.953 -2.354 -2.456 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.574 -1.985 -2.914 1.00 0.00 C ATOM 1105 CG2 VAL A 75 4.917 -3.761 -1.948 1.00 0.00 C ATOM 0 H VAL A 75 5.393 -4.048 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 75 5.711 -1.256 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 75 5.276 -1.692 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.871 -2.109 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.566 -0.946 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.280 -2.631 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.190 -3.837 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.632 -4.433 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.903 -4.039 -1.576 1.00 0.00 H new ATOM 1115 N LYS A 76 8.102 -3.174 -2.888 1.00 0.00 N ATOM 1116 CA LYS A 76 9.504 -3.164 -2.420 1.00 0.00 C ATOM 1117 C LYS A 76 10.356 -2.353 -3.357 1.00 0.00 C ATOM 1118 O LYS A 76 11.171 -1.538 -2.928 1.00 0.00 O ATOM 1119 CB LYS A 76 10.075 -4.583 -2.366 1.00 0.00 C ATOM 1120 CG LYS A 76 9.513 -5.455 -1.266 1.00 0.00 C ATOM 1121 CD LYS A 76 9.823 -6.923 -1.508 1.00 0.00 C ATOM 1122 CE LYS A 76 11.310 -7.222 -1.537 1.00 0.00 C ATOM 1123 NZ LYS A 76 11.558 -8.632 -1.906 1.00 0.00 N ATOM 0 H LYS A 76 7.728 -4.107 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 76 9.514 -2.728 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.892 -5.069 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.156 -4.519 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.930 -5.147 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.434 -5.315 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.354 -7.521 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.378 -7.231 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.804 -6.563 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.746 -7.016 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.546 -8.878 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.922 -9.250 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.381 -8.761 -2.923 1.00 0.00 H new ATOM 1137 N ALA A 77 10.126 -2.567 -4.641 1.00 0.00 N ATOM 1138 CA ALA A 77 10.860 -1.907 -5.701 1.00 0.00 C ATOM 1139 C ALA A 77 10.732 -0.396 -5.623 1.00 0.00 C ATOM 1140 O ALA A 77 11.700 0.324 -5.878 1.00 0.00 O ATOM 1141 CB ALA A 77 10.386 -2.403 -7.054 1.00 0.00 C ATOM 0 H ALA A 77 9.413 -3.214 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 77 11.914 -2.155 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.945 -1.899 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.548 -3.479 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.324 -2.188 -7.169 1.00 0.00 H new ATOM 1147 N LYS A 78 9.557 0.085 -5.253 1.00 0.00 N ATOM 1148 CA LYS A 78 9.352 1.507 -5.190 1.00 0.00 C ATOM 1149 C LYS A 78 9.845 2.050 -3.852 1.00 0.00 C ATOM 1150 O LYS A 78 10.635 2.993 -3.799 1.00 0.00 O ATOM 1151 CB LYS A 78 7.882 1.891 -5.363 1.00 0.00 C ATOM 1152 CG LYS A 78 7.744 3.288 -5.926 1.00 0.00 C ATOM 1153 CD LYS A 78 6.428 3.954 -5.612 1.00 0.00 C ATOM 1154 CE LYS A 78 6.384 5.299 -6.304 1.00 0.00 C ATOM 1155 NZ LYS A 78 5.319 6.179 -5.803 1.00 0.00 N ATOM 0 H LYS A 78 8.749 -0.483 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 78 9.918 1.943 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.393 1.178 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.372 1.832 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.553 3.906 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.868 3.245 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.600 3.330 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.316 4.080 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.346 5.796 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.244 5.144 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.311 7.062 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.400 5.702 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.491 6.396 -4.801 1.00 0.00 H new ATOM 1169 N LEU A 79 9.397 1.403 -2.781 1.00 0.00 N ATOM 1170 CA LEU A 79 9.649 1.824 -1.403 1.00 0.00 C ATOM 1171 C LEU A 79 11.135 1.983 -1.090 1.00 0.00 C ATOM 1172 O LEU A 79 11.536 2.939 -0.402 1.00 0.00 O ATOM 1173 CB LEU A 79 9.002 0.833 -0.428 1.00 0.00 C ATOM 1174 CG LEU A 79 9.173 1.136 1.060 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.538 2.474 1.419 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.585 0.014 1.901 1.00 0.00 C ATOM 0 H LEU A 79 8.837 0.553 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 79 9.199 2.809 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.935 0.785 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.412 -0.157 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 79 10.239 1.204 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.673 2.667 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.013 3.268 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.473 2.445 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.715 0.245 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.523 -0.088 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.095 -0.921 1.669 1.00 0.00 H new ATOM 1188 N VAL A 80 11.945 1.071 -1.607 1.00 0.00 N ATOM 1189 CA VAL A 80 13.378 1.097 -1.373 1.00 0.00 C ATOM 1190 C VAL A 80 14.004 2.418 -1.876 1.00 0.00 C ATOM 1191 O VAL A 80 14.782 3.040 -1.171 1.00 0.00 O ATOM 1192 CB VAL A 80 14.087 -0.153 -1.997 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.004 -0.187 -3.511 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.519 -0.269 -1.517 1.00 0.00 C ATOM 0 H VAL A 80 11.630 0.299 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 80 13.535 1.050 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 80 13.539 -1.027 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.513 -1.076 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.958 -0.212 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.481 0.703 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.984 -1.146 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.073 0.624 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.532 -0.369 -0.432 1.00 0.00 H new ATOM 1204 N LYS A 81 13.544 2.904 -3.025 1.00 0.00 N ATOM 1205 CA LYS A 81 14.120 4.096 -3.639 1.00 0.00 C ATOM 1206 C LYS A 81 13.714 5.347 -2.867 1.00 0.00 C ATOM 1207 O LYS A 81 14.438 6.356 -2.862 1.00 0.00 O ATOM 1208 CB LYS A 81 13.673 4.226 -5.099 1.00 0.00 C ATOM 1209 CG LYS A 81 13.921 2.993 -5.948 1.00 0.00 C ATOM 1210 CD LYS A 81 13.476 3.221 -7.380 1.00 0.00 C ATOM 1211 CE LYS A 81 13.437 1.924 -8.164 1.00 0.00 C ATOM 1212 NZ LYS A 81 12.863 2.107 -9.507 1.00 0.00 N ATOM 0 H LYS A 81 12.773 2.490 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 81 15.205 3.995 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.608 4.457 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.192 5.072 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.981 2.741 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.384 2.143 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.488 3.681 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.156 3.921 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.447 1.524 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.850 1.187 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.855 1.196 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.890 2.464 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.438 2.791 -10.040 1.00 0.00 H new ATOM 1226 N ILE A 82 12.570 5.270 -2.205 1.00 0.00 N ATOM 1227 CA ILE A 82 12.043 6.385 -1.435 1.00 0.00 C ATOM 1228 C ILE A 82 12.820 6.523 -0.136 1.00 0.00 C ATOM 1229 O ILE A 82 13.216 7.629 0.257 1.00 0.00 O ATOM 1230 CB ILE A 82 10.547 6.176 -1.074 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.730 5.852 -2.321 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.986 7.425 -0.386 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.283 5.523 -2.039 1.00 0.00 C ATOM 0 H ILE A 82 11.983 4.436 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 82 12.142 7.279 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 82 10.477 5.333 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.773 6.702 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.190 5.008 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.937 7.264 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.548 7.621 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.074 8.280 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.770 5.305 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.229 4.653 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.804 6.373 -1.553 1.00 0.00 H new ATOM 1245 N ALA A 83 13.044 5.404 0.517 1.00 0.00 N ATOM 1246 CA ALA A 83 13.707 5.400 1.804 1.00 0.00 C ATOM 1247 C ALA A 83 15.204 5.614 1.676 1.00 0.00 C ATOM 1248 O ALA A 83 15.774 6.455 2.368 1.00 0.00 O ATOM 1249 CB ALA A 83 13.409 4.115 2.561 1.00 0.00 C ATOM 0 H ALA A 83 12.776 4.481 0.177 1.00 0.00 H new ATOM 0 HA ALA A 83 13.309 6.240 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.918 4.134 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.334 4.027 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.761 3.261 1.982 1.00 0.00 H new ATOM 1255 N GLY A 84 15.830 4.889 0.782 1.00 0.00 N ATOM 1256 CA GLY A 84 17.252 4.974 0.639 1.00 0.00 C ATOM 1257 C GLY A 84 17.820 3.617 0.555 1.00 0.00 C ATOM 1258 O GLY A 84 17.330 2.802 -0.209 1.00 0.00 O ATOM 0 H GLY A 84 15.373 4.236 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.505 5.541 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.682 5.508 1.486 1.00 0.00 H new ATOM 1262 N LEU A 85 18.856 3.367 1.343 1.00 0.00 N ATOM 1263 CA LEU A 85 19.449 2.032 1.519 1.00 0.00 C ATOM 1264 C LEU A 85 20.211 1.521 0.281 1.00 0.00 C ATOM 1265 O LEU A 85 21.360 1.083 0.403 1.00 0.00 O ATOM 1266 CB LEU A 85 18.402 0.988 1.981 1.00 0.00 C ATOM 1267 CG LEU A 85 17.752 1.140 3.377 1.00 0.00 C ATOM 1268 CD1 LEU A 85 18.782 1.146 4.488 1.00 0.00 C ATOM 1269 CD2 LEU A 85 16.822 2.342 3.477 1.00 0.00 C ATOM 0 H LEU A 85 19.321 4.091 1.890 1.00 0.00 H new ATOM 0 HA LEU A 85 20.189 2.156 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.599 0.980 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.878 0.008 1.945 1.00 0.00 H new ATOM 0 HG LEU A 85 17.129 0.255 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.280 1.255 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.338 0.209 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 85 19.470 1.979 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.399 2.392 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.383 3.254 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 16.018 2.241 2.748 1.00 0.00 H new ATOM 1281 N GLU A 86 19.582 1.564 -0.890 1.00 0.00 N ATOM 1282 CA GLU A 86 20.206 1.107 -2.117 1.00 0.00 C ATOM 1283 C GLU A 86 21.170 2.166 -2.683 1.00 0.00 C ATOM 1284 O GLU A 86 20.872 2.881 -3.641 1.00 0.00 O ATOM 1285 CB GLU A 86 19.179 0.623 -3.180 1.00 0.00 C ATOM 1286 CG GLU A 86 18.149 1.654 -3.649 1.00 0.00 C ATOM 1287 CD GLU A 86 17.549 1.281 -4.993 1.00 0.00 C ATOM 1288 OE1 GLU A 86 16.748 0.329 -5.079 1.00 0.00 O ATOM 1289 OE2 GLU A 86 17.925 1.915 -6.010 1.00 0.00 O ATOM 0 H GLU A 86 18.632 1.915 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 86 20.796 0.228 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.730 0.269 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.643 -0.234 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.355 1.738 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.622 2.633 -3.721 1.00 0.00 H new ATOM 1296 N HIS A 87 22.288 2.301 -2.026 1.00 0.00 N ATOM 1297 CA HIS A 87 23.322 3.250 -2.380 1.00 0.00 C ATOM 1298 C HIS A 87 24.494 3.012 -1.475 1.00 0.00 C ATOM 1299 O HIS A 87 24.464 2.089 -0.649 1.00 0.00 O ATOM 1300 CB HIS A 87 22.840 4.732 -2.201 1.00 0.00 C ATOM 1301 CG HIS A 87 22.407 5.106 -0.793 1.00 0.00 C ATOM 1302 ND1 HIS A 87 23.267 5.546 0.200 1.00 0.00 N ATOM 1303 CD2 HIS A 87 21.178 5.094 -0.233 1.00 0.00 C ATOM 1304 CE1 HIS A 87 22.546 5.777 1.296 1.00 0.00 C ATOM 1305 NE2 HIS A 87 21.265 5.517 1.090 1.00 0.00 N ATOM 0 H HIS A 87 22.517 1.741 -1.205 1.00 0.00 H new ATOM 0 HA HIS A 87 23.584 3.108 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.647 5.399 -2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.006 4.911 -2.880 1.00 0.00 H new ATOM 0 HD2 HIS A 87 20.268 4.801 -0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 87 22.954 6.131 2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 87 20.501 5.608 1.760 1.00 0.00 H new ATOM 1313 N HIS A 88 25.495 3.815 -1.618 1.00 0.00 N ATOM 1314 CA HIS A 88 26.593 3.813 -0.721 1.00 0.00 C ATOM 1315 C HIS A 88 26.814 5.256 -0.314 1.00 0.00 C ATOM 1316 O HIS A 88 27.687 5.940 -0.884 1.00 0.00 O ATOM 1317 CB HIS A 88 27.852 3.198 -1.355 1.00 0.00 C ATOM 1318 CG HIS A 88 28.988 3.071 -0.388 1.00 0.00 C ATOM 1319 ND1 HIS A 88 30.008 3.981 -0.282 1.00 0.00 N ATOM 1320 CD2 HIS A 88 29.232 2.129 0.543 1.00 0.00 C ATOM 1321 CE1 HIS A 88 30.826 3.583 0.688 1.00 0.00 C ATOM 1322 NE2 HIS A 88 30.402 2.454 1.228 1.00 0.00 N ATOM 0 H HIS A 88 25.571 4.498 -2.372 1.00 0.00 H new ATOM 0 HA HIS A 88 26.380 3.192 0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 88 27.608 2.213 -1.753 1.00 0.00 H new ATOM 0 HB3 HIS A 88 28.166 3.814 -2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 88 28.619 1.260 0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 88 31.717 4.111 0.993 1.00 0.00 H new ATOM 0 HE2 HIS A 88 30.839 1.930 1.987 1.00 0.00 H new TER 1330 HIS A 88