USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 626 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 78 LYS NZ :NH3+ -175:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 79 SER OG : rot 23:sc= 1.69 USER MOD Set 2.1: A 1 MET N :NH3+ 179:sc= 1.83 (180deg=0.768) USER MOD Set 2.2: A 43 SER OG : rot 118:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 64:sc= 0.608 USER MOD Single : A 6 MET CE :methyl 159:sc= -0.191 (180deg=-0.716) USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -1.58! (180deg=-3!) USER MOD Single : A 10 GLN : amide:sc= -0.841 K(o=-0.84,f=-1.9) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 134:sc= 1.14 (180deg=0.257) USER MOD Single : A 26 ASN : amide:sc= -0.887 K(o=-0.89,f=-8.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0282) USER MOD Single : A 38 SER OG : rot 96:sc= 1.32 USER MOD Single : A 39 SER OG : rot -65:sc= 0.306 USER MOD Single : A 42 SER OG : rot 140:sc= 0.691 USER MOD Single : A 46 GLN : amide:sc= -1.06 K(o=-1.1,f=-2) USER MOD Single : A 47 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.74) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0.87) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= 1.63 (180deg=-0.401!) USER MOD Single : A 62 LYS NZ :NH3+ -149:sc= -0.0487 (180deg=-0.114) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.26) USER MOD Single : A 73 SER OG : rot -80:sc= 0.994 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00482 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.303 13.772 -6.707 1.00 0.00 N ATOM 2 CA MET A 1 -2.401 15.068 -6.009 1.00 0.00 C ATOM 3 C MET A 1 -1.128 15.353 -5.233 1.00 0.00 C ATOM 4 O MET A 1 -0.921 14.829 -4.137 1.00 0.00 O ATOM 5 CB MET A 1 -3.604 15.083 -5.049 1.00 0.00 C ATOM 6 CG MET A 1 -4.960 14.990 -5.736 1.00 0.00 C ATOM 7 SD MET A 1 -5.214 13.418 -6.585 1.00 0.00 S ATOM 8 CE MET A 1 -6.852 13.663 -7.253 1.00 0.00 C ATOM 0 H1 MET A 1 -3.189 13.586 -7.219 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.512 13.800 -7.382 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.138 13.015 -6.013 1.00 0.00 H new ATOM 0 HA MET A 1 -2.542 15.843 -6.762 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.506 14.251 -4.351 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.571 15.999 -4.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.747 15.127 -4.994 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.054 15.804 -6.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.155 12.775 -7.808 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.555 13.839 -6.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.848 14.525 -7.920 1.00 0.00 H new ATOM 18 N ALA A 2 -0.267 16.165 -5.806 1.00 0.00 N ATOM 19 CA ALA A 2 0.972 16.517 -5.158 1.00 0.00 C ATOM 20 C ALA A 2 0.785 17.767 -4.318 1.00 0.00 C ATOM 21 O ALA A 2 0.639 18.872 -4.849 1.00 0.00 O ATOM 22 CB ALA A 2 2.076 16.712 -6.184 1.00 0.00 C ATOM 0 H ALA A 2 -0.405 16.593 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 2 1.267 15.700 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.003 16.977 -5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.221 15.788 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.798 17.511 -6.871 1.00 0.00 H new ATOM 28 N ALA A 3 0.756 17.587 -3.017 1.00 0.00 N ATOM 29 CA ALA A 3 0.594 18.688 -2.089 1.00 0.00 C ATOM 30 C ALA A 3 1.683 18.634 -1.029 1.00 0.00 C ATOM 31 O ALA A 3 2.104 17.542 -0.634 1.00 0.00 O ATOM 32 CB ALA A 3 -0.786 18.632 -1.439 1.00 0.00 C ATOM 0 H ALA A 3 0.844 16.674 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 3 0.680 19.628 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.895 19.465 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.554 18.700 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.896 17.692 -0.899 1.00 0.00 H new ATOM 38 N PRO A 4 2.178 19.805 -0.575 1.00 0.00 N ATOM 39 CA PRO A 4 3.224 19.882 0.453 1.00 0.00 C ATOM 40 C PRO A 4 2.828 19.141 1.722 1.00 0.00 C ATOM 41 O PRO A 4 2.000 19.615 2.502 1.00 0.00 O ATOM 42 CB PRO A 4 3.346 21.384 0.732 1.00 0.00 C ATOM 43 CG PRO A 4 2.848 22.037 -0.507 1.00 0.00 C ATOM 44 CD PRO A 4 1.766 21.143 -1.036 1.00 0.00 C ATOM 0 HA PRO A 4 4.156 19.422 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.754 21.676 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.378 21.666 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.462 23.034 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 4 3.650 22.154 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.787 21.420 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.699 21.191 -2.123 1.00 0.00 H new ATOM 52 N SER A 5 3.397 17.971 1.910 1.00 0.00 N ATOM 53 CA SER A 5 3.101 17.163 3.065 1.00 0.00 C ATOM 54 C SER A 5 4.335 17.033 3.951 1.00 0.00 C ATOM 55 O SER A 5 5.269 16.293 3.631 1.00 0.00 O ATOM 56 CB SER A 5 2.600 15.785 2.625 1.00 0.00 C ATOM 57 OG SER A 5 1.519 15.913 1.708 1.00 0.00 O ATOM 0 H SER A 5 4.074 17.557 1.269 1.00 0.00 H new ATOM 0 HA SER A 5 2.316 17.648 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.414 15.228 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.279 15.214 3.496 1.00 0.00 H new ATOM 0 HG SER A 5 1.834 16.350 0.889 1.00 0.00 H new ATOM 63 N MET A 6 4.347 17.784 5.042 1.00 0.00 N ATOM 64 CA MET A 6 5.453 17.750 5.985 1.00 0.00 C ATOM 65 C MET A 6 5.446 16.434 6.754 1.00 0.00 C ATOM 66 O MET A 6 6.458 15.730 6.818 1.00 0.00 O ATOM 67 CB MET A 6 5.361 18.932 6.950 1.00 0.00 C ATOM 68 CG MET A 6 6.499 19.003 7.951 1.00 0.00 C ATOM 69 SD MET A 6 6.357 20.419 9.061 1.00 0.00 S ATOM 70 CE MET A 6 4.798 20.058 9.868 1.00 0.00 C ATOM 0 H MET A 6 3.598 18.428 5.296 1.00 0.00 H new ATOM 0 HA MET A 6 6.389 17.826 5.432 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.340 19.857 6.374 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.417 18.872 7.492 1.00 0.00 H new ATOM 0 HG2 MET A 6 6.519 18.085 8.539 1.00 0.00 H new ATOM 0 HG3 MET A 6 7.447 19.059 7.415 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.743 20.600 10.812 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.975 20.366 9.224 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.727 18.987 10.060 1.00 0.00 H new ATOM 80 N LYS A 7 4.303 16.105 7.322 1.00 0.00 N ATOM 81 CA LYS A 7 4.145 14.856 8.037 1.00 0.00 C ATOM 82 C LYS A 7 3.808 13.737 7.064 1.00 0.00 C ATOM 83 O LYS A 7 3.596 13.988 5.874 1.00 0.00 O ATOM 84 CB LYS A 7 3.055 14.980 9.102 1.00 0.00 C ATOM 85 CG LYS A 7 3.462 15.795 10.322 1.00 0.00 C ATOM 86 CD LYS A 7 4.484 15.059 11.194 1.00 0.00 C ATOM 87 CE LYS A 7 3.836 13.999 12.097 1.00 0.00 C ATOM 88 NZ LYS A 7 3.298 12.832 11.342 1.00 0.00 N ATOM 0 H LYS A 7 3.467 16.689 7.302 1.00 0.00 H new ATOM 0 HA LYS A 7 5.085 14.619 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.174 15.437 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.765 13.981 9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.882 16.747 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.577 16.023 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.225 14.581 10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.016 15.782 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.573 13.647 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.028 14.460 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.268 12.000 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.338 13.048 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.913 12.632 10.527 1.00 0.00 H new ATOM 102 N GLU A 8 3.764 12.505 7.576 1.00 0.00 N ATOM 103 CA GLU A 8 3.460 11.322 6.770 1.00 0.00 C ATOM 104 C GLU A 8 4.546 11.078 5.737 1.00 0.00 C ATOM 105 O GLU A 8 4.302 10.481 4.684 1.00 0.00 O ATOM 106 CB GLU A 8 2.082 11.437 6.092 1.00 0.00 C ATOM 107 CG GLU A 8 0.896 11.308 7.043 1.00 0.00 C ATOM 108 CD GLU A 8 0.743 12.481 7.976 1.00 0.00 C ATOM 109 OE1 GLU A 8 0.094 13.473 7.582 1.00 0.00 O ATOM 110 OE2 GLU A 8 1.262 12.416 9.115 1.00 0.00 O ATOM 0 H GLU A 8 3.938 12.300 8.560 1.00 0.00 H new ATOM 0 HA GLU A 8 3.427 10.467 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.021 12.399 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.003 10.666 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.018 11.197 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.010 10.398 7.632 1.00 0.00 H new ATOM 117 N ARG A 9 5.761 11.513 6.063 1.00 0.00 N ATOM 118 CA ARG A 9 6.903 11.339 5.178 1.00 0.00 C ATOM 119 C ARG A 9 7.158 9.858 4.914 1.00 0.00 C ATOM 120 O ARG A 9 7.622 9.486 3.847 1.00 0.00 O ATOM 121 CB ARG A 9 8.154 12.012 5.759 1.00 0.00 C ATOM 122 CG ARG A 9 8.642 11.410 7.066 1.00 0.00 C ATOM 123 CD ARG A 9 9.876 12.133 7.575 1.00 0.00 C ATOM 124 NE ARG A 9 10.447 11.478 8.751 1.00 0.00 N ATOM 125 CZ ARG A 9 11.018 12.124 9.770 1.00 0.00 C ATOM 126 NH1 ARG A 9 11.070 13.452 9.778 1.00 0.00 N ATOM 127 NH2 ARG A 9 11.539 11.438 10.784 1.00 0.00 N ATOM 0 H ARG A 9 5.977 11.990 6.938 1.00 0.00 H new ATOM 0 HA ARG A 9 6.672 11.821 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.957 11.954 5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.942 13.070 5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.850 11.466 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.870 10.354 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.624 12.174 6.784 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.617 13.162 7.823 1.00 0.00 H new ATOM 0 HE ARG A 9 10.406 10.460 8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.672 13.983 9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.507 13.941 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.502 10.419 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.975 11.931 11.563 1.00 0.00 H new ATOM 141 N GLN A 10 6.824 9.020 5.899 1.00 0.00 N ATOM 142 CA GLN A 10 6.977 7.572 5.779 1.00 0.00 C ATOM 143 C GLN A 10 6.141 7.050 4.618 1.00 0.00 C ATOM 144 O GLN A 10 6.583 6.205 3.851 1.00 0.00 O ATOM 145 CB GLN A 10 6.557 6.890 7.101 1.00 0.00 C ATOM 146 CG GLN A 10 6.667 5.360 7.105 1.00 0.00 C ATOM 147 CD GLN A 10 5.453 4.657 6.509 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.326 5.147 6.601 1.00 0.00 O ATOM 149 NE2 GLN A 10 5.681 3.513 5.892 1.00 0.00 N ATOM 0 H GLN A 10 6.443 9.325 6.795 1.00 0.00 H new ATOM 0 HA GLN A 10 8.023 7.338 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.174 7.286 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.526 7.166 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.556 5.067 6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.807 5.017 8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.630 3.143 5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.908 2.999 5.468 1.00 0.00 H new ATOM 158 N VAL A 11 4.945 7.584 4.485 1.00 0.00 N ATOM 159 CA VAL A 11 4.031 7.165 3.445 1.00 0.00 C ATOM 160 C VAL A 11 4.486 7.667 2.079 1.00 0.00 C ATOM 161 O VAL A 11 4.487 6.919 1.104 1.00 0.00 O ATOM 162 CB VAL A 11 2.598 7.658 3.743 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.644 7.274 2.627 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.119 7.093 5.067 1.00 0.00 C ATOM 0 H VAL A 11 4.581 8.318 5.093 1.00 0.00 H new ATOM 0 HA VAL A 11 4.028 6.075 3.426 1.00 0.00 H new ATOM 0 HB VAL A 11 2.617 8.746 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.643 7.634 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.979 7.722 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.624 6.189 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.108 7.446 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.120 6.004 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.784 7.422 5.865 1.00 0.00 H new ATOM 174 N CYS A 12 4.896 8.922 2.021 1.00 0.00 N ATOM 175 CA CYS A 12 5.345 9.511 0.767 1.00 0.00 C ATOM 176 C CYS A 12 6.669 8.875 0.314 1.00 0.00 C ATOM 177 O CYS A 12 6.850 8.563 -0.874 1.00 0.00 O ATOM 178 CB CYS A 12 5.491 11.025 0.910 1.00 0.00 C ATOM 179 SG CYS A 12 5.516 11.926 -0.675 1.00 0.00 S ATOM 0 H CYS A 12 4.928 9.552 2.822 1.00 0.00 H new ATOM 0 HA CYS A 12 4.594 9.311 0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.668 11.402 1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.412 11.240 1.452 1.00 0.00 H new ATOM 184 N TRP A 13 7.588 8.673 1.260 1.00 0.00 N ATOM 185 CA TRP A 13 8.861 8.031 0.960 1.00 0.00 C ATOM 186 C TRP A 13 8.623 6.570 0.629 1.00 0.00 C ATOM 187 O TRP A 13 9.257 6.009 -0.271 1.00 0.00 O ATOM 188 CB TRP A 13 9.832 8.155 2.146 1.00 0.00 C ATOM 189 CG TRP A 13 11.201 7.611 1.862 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.675 6.366 2.170 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.270 8.296 1.206 1.00 0.00 C ATOM 192 NE1 TRP A 13 12.973 6.238 1.743 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.362 7.409 1.148 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.411 9.572 0.660 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.578 7.761 0.565 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.615 9.919 0.084 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.684 9.017 0.041 1.00 0.00 C ATOM 0 H TRP A 13 7.472 8.945 2.236 1.00 0.00 H new ATOM 0 HA TRP A 13 9.312 8.530 0.103 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.918 9.205 2.426 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.413 7.630 3.004 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.111 5.596 2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.554 5.406 1.851 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.592 10.275 0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.405 7.067 0.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.735 10.904 -0.341 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.614 9.321 -0.417 1.00 0.00 H new ATOM 208 N GLY A 14 7.696 5.960 1.361 1.00 0.00 N ATOM 209 CA GLY A 14 7.328 4.589 1.117 1.00 0.00 C ATOM 210 C GLY A 14 6.821 4.407 -0.284 1.00 0.00 C ATOM 211 O GLY A 14 7.250 3.514 -0.977 1.00 0.00 O ATOM 0 H GLY A 14 7.190 6.404 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.190 3.943 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.560 4.283 1.828 1.00 0.00 H new ATOM 215 N ALA A 15 5.925 5.292 -0.706 1.00 0.00 N ATOM 216 CA ALA A 15 5.374 5.259 -2.056 1.00 0.00 C ATOM 217 C ALA A 15 6.483 5.350 -3.099 1.00 0.00 C ATOM 218 O ALA A 15 6.433 4.694 -4.140 1.00 0.00 O ATOM 219 CB ALA A 15 4.391 6.402 -2.246 1.00 0.00 C ATOM 0 H ALA A 15 5.562 6.048 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 15 4.853 4.311 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.985 6.369 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.579 6.307 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.903 7.352 -2.092 1.00 0.00 H new ATOM 225 N ARG A 16 7.486 6.162 -2.803 1.00 0.00 N ATOM 226 CA ARG A 16 8.611 6.354 -3.700 1.00 0.00 C ATOM 227 C ARG A 16 9.412 5.061 -3.843 1.00 0.00 C ATOM 228 O ARG A 16 9.730 4.633 -4.953 1.00 0.00 O ATOM 229 CB ARG A 16 9.515 7.477 -3.186 1.00 0.00 C ATOM 230 CG ARG A 16 10.596 7.906 -4.170 1.00 0.00 C ATOM 231 CD ARG A 16 9.987 8.467 -5.447 1.00 0.00 C ATOM 232 NE ARG A 16 9.055 9.565 -5.169 1.00 0.00 N ATOM 233 CZ ARG A 16 8.284 10.158 -6.084 1.00 0.00 C ATOM 234 NH1 ARG A 16 8.338 9.784 -7.357 1.00 0.00 N ATOM 235 NH2 ARG A 16 7.467 11.133 -5.717 1.00 0.00 N ATOM 0 H ARG A 16 7.542 6.702 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 16 8.224 6.633 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.898 8.342 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.990 7.152 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.235 8.659 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.231 7.054 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.782 8.822 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.464 7.673 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 16 8.991 9.900 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.972 9.038 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.745 10.243 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.429 11.427 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.875 11.591 -6.410 1.00 0.00 H new ATOM 249 N ASP A 17 9.725 4.438 -2.715 1.00 0.00 N ATOM 250 CA ASP A 17 10.493 3.195 -2.712 1.00 0.00 C ATOM 251 C ASP A 17 9.653 2.050 -3.255 1.00 0.00 C ATOM 252 O ASP A 17 10.143 1.213 -4.016 1.00 0.00 O ATOM 253 CB ASP A 17 10.983 2.860 -1.300 1.00 0.00 C ATOM 254 CG ASP A 17 11.945 1.681 -1.271 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.155 1.893 -1.492 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.507 0.547 -0.999 1.00 0.00 O ATOM 0 H ASP A 17 9.460 4.771 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 17 11.361 3.334 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.475 3.735 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.125 2.638 -0.666 1.00 0.00 H new ATOM 261 N GLU A 18 8.378 2.046 -2.885 1.00 0.00 N ATOM 262 CA GLU A 18 7.448 1.010 -3.301 1.00 0.00 C ATOM 263 C GLU A 18 7.163 1.056 -4.784 1.00 0.00 C ATOM 264 O GLU A 18 6.700 0.073 -5.352 1.00 0.00 O ATOM 265 CB GLU A 18 6.146 1.045 -2.488 1.00 0.00 C ATOM 266 CG GLU A 18 6.298 0.534 -1.058 1.00 0.00 C ATOM 267 CD GLU A 18 4.964 0.257 -0.385 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.305 -0.729 -0.766 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.583 1.004 0.540 1.00 0.00 O ATOM 0 H GLU A 18 7.962 2.762 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 18 7.940 0.059 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.774 2.069 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.393 0.446 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.892 -0.380 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.850 1.269 -0.472 1.00 0.00 H new ATOM 276 N TYR A 19 7.408 2.193 -5.415 1.00 0.00 N ATOM 277 CA TYR A 19 7.254 2.282 -6.853 1.00 0.00 C ATOM 278 C TYR A 19 8.103 1.191 -7.512 1.00 0.00 C ATOM 279 O TYR A 19 7.629 0.444 -8.376 1.00 0.00 O ATOM 280 CB TYR A 19 7.676 3.665 -7.363 1.00 0.00 C ATOM 281 CG TYR A 19 7.503 3.833 -8.857 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.271 4.175 -9.396 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.568 3.637 -9.727 1.00 0.00 C ATOM 284 CE1 TYR A 19 6.104 4.316 -10.759 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.411 3.779 -11.089 1.00 0.00 C ATOM 286 CZ TYR A 19 7.177 4.118 -11.600 1.00 0.00 C ATOM 287 OH TYR A 19 7.015 4.251 -12.962 1.00 0.00 O ATOM 0 H TYR A 19 7.710 3.054 -4.960 1.00 0.00 H new ATOM 0 HA TYR A 19 6.205 2.138 -7.110 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.091 4.428 -6.849 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.721 3.836 -7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.429 4.333 -8.738 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.536 3.369 -9.329 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.138 4.580 -11.164 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.250 3.626 -11.752 1.00 0.00 H new ATOM 0 HH TYR A 19 7.869 4.079 -13.411 1.00 0.00 H new ATOM 297 N TRP A 20 9.354 1.109 -7.090 1.00 0.00 N ATOM 298 CA TRP A 20 10.261 0.094 -7.585 1.00 0.00 C ATOM 299 C TRP A 20 10.081 -1.207 -6.799 1.00 0.00 C ATOM 300 O TRP A 20 9.848 -2.273 -7.372 1.00 0.00 O ATOM 301 CB TRP A 20 11.715 0.576 -7.509 1.00 0.00 C ATOM 302 CG TRP A 20 12.695 -0.410 -8.074 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.687 -1.058 -7.399 1.00 0.00 C ATOM 304 CD2 TRP A 20 12.768 -0.869 -9.431 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.372 -1.888 -8.249 1.00 0.00 N ATOM 306 CE2 TRP A 20 13.829 -1.790 -9.501 1.00 0.00 C ATOM 307 CE3 TRP A 20 12.039 -0.590 -10.593 1.00 0.00 C ATOM 308 CZ2 TRP A 20 14.179 -2.436 -10.684 1.00 0.00 C ATOM 309 CZ3 TRP A 20 12.389 -1.230 -11.766 1.00 0.00 C ATOM 310 CH2 TRP A 20 13.449 -2.143 -11.803 1.00 0.00 C ATOM 0 H TRP A 20 9.764 1.739 -6.401 1.00 0.00 H new ATOM 0 HA TRP A 20 10.025 -0.097 -8.632 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.807 1.519 -8.048 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.970 0.777 -6.469 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.902 -0.935 -6.348 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.159 -2.482 -7.990 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.219 0.112 -10.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.996 -3.142 -10.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.835 -1.022 -12.670 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.696 -2.627 -12.736 1.00 0.00 H new ATOM 321 N LYS A 21 10.179 -1.092 -5.486 1.00 0.00 N ATOM 322 CA LYS A 21 10.058 -2.224 -4.583 1.00 0.00 C ATOM 323 C LYS A 21 8.770 -2.120 -3.790 1.00 0.00 C ATOM 324 O LYS A 21 8.764 -1.633 -2.661 1.00 0.00 O ATOM 325 CB LYS A 21 11.252 -2.250 -3.626 1.00 0.00 C ATOM 326 CG LYS A 21 12.582 -2.518 -4.308 1.00 0.00 C ATOM 327 CD LYS A 21 13.774 -2.062 -3.459 1.00 0.00 C ATOM 328 CE LYS A 21 13.715 -2.609 -2.039 1.00 0.00 C ATOM 329 NZ LYS A 21 13.112 -1.636 -1.087 1.00 0.00 N ATOM 0 H LYS A 21 10.346 -0.204 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 21 10.043 -3.144 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.308 -1.294 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.082 -3.016 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.673 -3.584 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.605 -2.004 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.700 -2.387 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.798 -0.973 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.134 -3.531 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.722 -2.863 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.416 -2.123 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.858 -1.227 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.639 -0.877 -1.619 1.00 0.00 H new ATOM 343 N CYS A 22 7.680 -2.556 -4.384 1.00 0.00 N ATOM 344 CA CYS A 22 6.383 -2.442 -3.746 1.00 0.00 C ATOM 345 C CYS A 22 6.232 -3.416 -2.596 1.00 0.00 C ATOM 346 O CYS A 22 6.748 -4.538 -2.642 1.00 0.00 O ATOM 347 CB CYS A 22 5.259 -2.630 -4.769 1.00 0.00 C ATOM 348 SG CYS A 22 5.453 -4.089 -5.843 1.00 0.00 S ATOM 0 H CYS A 22 7.664 -2.992 -5.306 1.00 0.00 H new ATOM 0 HA CYS A 22 6.311 -1.437 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.311 -2.709 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.201 -1.739 -5.394 1.00 0.00 H new ATOM 353 N LEU A 23 5.525 -2.969 -1.559 1.00 0.00 N ATOM 354 CA LEU A 23 5.250 -3.768 -0.381 1.00 0.00 C ATOM 355 C LEU A 23 6.520 -4.142 0.361 1.00 0.00 C ATOM 356 O LEU A 23 6.585 -5.171 1.039 1.00 0.00 O ATOM 357 CB LEU A 23 4.416 -4.988 -0.749 1.00 0.00 C ATOM 358 CG LEU A 23 3.043 -4.652 -1.344 1.00 0.00 C ATOM 359 CD1 LEU A 23 2.186 -5.891 -1.493 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.337 -3.605 -0.497 1.00 0.00 C ATOM 0 H LEU A 23 5.126 -2.031 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 23 4.665 -3.161 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.972 -5.592 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.274 -5.600 0.142 1.00 0.00 H new ATOM 0 HG LEU A 23 3.202 -4.241 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.220 -5.617 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.684 -6.601 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.036 -6.349 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.364 -3.379 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.200 -3.987 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.940 -2.697 -0.463 1.00 0.00 H new ATOM 372 N ASP A 24 7.505 -3.249 0.271 1.00 0.00 N ATOM 373 CA ASP A 24 8.803 -3.387 0.950 1.00 0.00 C ATOM 374 C ASP A 24 8.630 -3.451 2.473 1.00 0.00 C ATOM 375 O ASP A 24 9.537 -3.858 3.204 1.00 0.00 O ATOM 376 CB ASP A 24 9.699 -2.200 0.572 1.00 0.00 C ATOM 377 CG ASP A 24 10.996 -2.151 1.353 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.963 -2.826 0.949 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.062 -1.415 2.366 1.00 0.00 O ATOM 0 H ASP A 24 7.428 -2.396 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 24 9.267 -4.319 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.927 -2.251 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.150 -1.273 0.736 1.00 0.00 H new ATOM 384 N GLU A 25 7.462 -3.041 2.925 1.00 0.00 N ATOM 385 CA GLU A 25 7.117 -3.003 4.340 1.00 0.00 C ATOM 386 C GLU A 25 7.373 -4.348 5.022 1.00 0.00 C ATOM 387 O GLU A 25 8.158 -4.440 5.962 1.00 0.00 O ATOM 388 CB GLU A 25 5.643 -2.652 4.482 1.00 0.00 C ATOM 389 CG GLU A 25 5.213 -1.450 3.661 1.00 0.00 C ATOM 390 CD GLU A 25 5.878 -0.165 4.099 1.00 0.00 C ATOM 391 OE1 GLU A 25 7.098 -0.022 3.913 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.166 0.716 4.620 1.00 0.00 O ATOM 0 H GLU A 25 6.712 -2.719 2.314 1.00 0.00 H new ATOM 0 HA GLU A 25 7.745 -2.253 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.045 -3.514 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.426 -2.458 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.444 -1.633 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.131 -1.336 3.734 1.00 0.00 H new ATOM 399 N ASN A 26 6.701 -5.388 4.538 1.00 0.00 N ATOM 400 CA ASN A 26 6.834 -6.712 5.119 1.00 0.00 C ATOM 401 C ASN A 26 6.947 -7.805 4.048 1.00 0.00 C ATOM 402 O ASN A 26 7.503 -8.868 4.307 1.00 0.00 O ATOM 403 CB ASN A 26 5.672 -7.004 6.073 1.00 0.00 C ATOM 404 CG ASN A 26 4.308 -6.755 5.456 1.00 0.00 C ATOM 405 OD1 ASN A 26 3.756 -7.616 4.786 1.00 0.00 O ATOM 406 ND2 ASN A 26 3.750 -5.582 5.700 1.00 0.00 N ATOM 0 H ASN A 26 6.061 -5.336 3.746 1.00 0.00 H new ATOM 0 HA ASN A 26 7.764 -6.723 5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.731 -8.043 6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.778 -6.384 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.826 -5.369 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.243 -4.890 6.264 1.00 0.00 H new ATOM 413 N LEU A 27 6.407 -7.537 2.848 1.00 0.00 N ATOM 414 CA LEU A 27 6.482 -8.478 1.706 1.00 0.00 C ATOM 415 C LEU A 27 5.735 -9.782 1.986 1.00 0.00 C ATOM 416 O LEU A 27 6.111 -10.842 1.485 1.00 0.00 O ATOM 417 CB LEU A 27 7.946 -8.798 1.314 1.00 0.00 C ATOM 418 CG LEU A 27 8.797 -7.629 0.798 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.330 -6.791 1.944 1.00 0.00 C ATOM 420 CD2 LEU A 27 9.935 -8.141 -0.065 1.00 0.00 C ATOM 0 H LEU A 27 5.909 -6.672 2.638 1.00 0.00 H new ATOM 0 HA LEU A 27 5.998 -7.972 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.445 -9.223 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.931 -9.572 0.546 1.00 0.00 H new ATOM 0 HG LEU A 27 8.158 -6.991 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.929 -5.971 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.496 -6.387 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.949 -7.412 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.528 -7.299 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.567 -8.806 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.529 -8.686 -0.917 1.00 0.00 H new ATOM 432 N GLU A 28 4.668 -9.699 2.765 1.00 0.00 N ATOM 433 CA GLU A 28 3.867 -10.874 3.101 1.00 0.00 C ATOM 434 C GLU A 28 3.199 -11.461 1.847 1.00 0.00 C ATOM 435 O GLU A 28 3.184 -12.677 1.650 1.00 0.00 O ATOM 436 CB GLU A 28 2.800 -10.505 4.138 1.00 0.00 C ATOM 437 CG GLU A 28 2.096 -11.696 4.761 1.00 0.00 C ATOM 438 CD GLU A 28 3.047 -12.593 5.519 1.00 0.00 C ATOM 439 OE1 GLU A 28 3.437 -12.231 6.647 1.00 0.00 O ATOM 440 OE2 GLU A 28 3.410 -13.661 4.991 1.00 0.00 O ATOM 0 H GLU A 28 4.333 -8.829 3.179 1.00 0.00 H new ATOM 0 HA GLU A 28 4.531 -11.629 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.267 -9.919 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.056 -9.865 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.317 -11.342 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.602 -12.273 3.979 1.00 0.00 H new ATOM 447 N ASP A 29 2.671 -10.588 1.008 1.00 0.00 N ATOM 448 CA ASP A 29 1.974 -10.993 -0.200 1.00 0.00 C ATOM 449 C ASP A 29 2.187 -9.974 -1.304 1.00 0.00 C ATOM 450 O ASP A 29 1.540 -8.929 -1.329 1.00 0.00 O ATOM 451 CB ASP A 29 0.489 -11.137 0.081 1.00 0.00 C ATOM 452 CG ASP A 29 -0.269 -11.713 -1.094 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.896 -10.937 -1.842 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.242 -12.949 -1.271 1.00 0.00 O ATOM 0 H ASP A 29 2.713 -9.578 1.145 1.00 0.00 H new ATOM 0 HA ASP A 29 2.375 -11.953 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.348 -11.779 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.074 -10.161 0.334 1.00 0.00 H new ATOM 459 N ALA A 30 3.110 -10.271 -2.193 1.00 0.00 N ATOM 460 CA ALA A 30 3.438 -9.379 -3.298 1.00 0.00 C ATOM 461 C ALA A 30 2.313 -9.305 -4.335 1.00 0.00 C ATOM 462 O ALA A 30 2.303 -8.417 -5.185 1.00 0.00 O ATOM 463 CB ALA A 30 4.740 -9.813 -3.947 1.00 0.00 C ATOM 0 H ALA A 30 3.656 -11.133 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 30 3.558 -8.376 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.977 -9.141 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.542 -9.781 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.636 -10.830 -4.326 1.00 0.00 H new ATOM 469 N SER A 31 1.363 -10.226 -4.249 1.00 0.00 N ATOM 470 CA SER A 31 0.254 -10.286 -5.194 1.00 0.00 C ATOM 471 C SER A 31 -0.606 -9.013 -5.139 1.00 0.00 C ATOM 472 O SER A 31 -1.153 -8.572 -6.155 1.00 0.00 O ATOM 473 CB SER A 31 -0.606 -11.529 -4.915 1.00 0.00 C ATOM 474 OG SER A 31 -1.655 -11.663 -5.861 1.00 0.00 O ATOM 0 H SER A 31 1.338 -10.948 -3.529 1.00 0.00 H new ATOM 0 HA SER A 31 0.670 -10.356 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.022 -12.419 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.027 -11.463 -3.912 1.00 0.00 H new ATOM 0 HG SER A 31 -2.181 -12.464 -5.655 1.00 0.00 H new ATOM 480 N GLN A 32 -0.699 -8.410 -3.963 1.00 0.00 N ATOM 481 CA GLN A 32 -1.512 -7.211 -3.781 1.00 0.00 C ATOM 482 C GLN A 32 -0.735 -5.928 -4.074 1.00 0.00 C ATOM 483 O GLN A 32 -1.267 -4.828 -3.921 1.00 0.00 O ATOM 484 CB GLN A 32 -2.094 -7.157 -2.367 1.00 0.00 C ATOM 485 CG GLN A 32 -3.065 -8.285 -2.058 1.00 0.00 C ATOM 486 CD GLN A 32 -4.183 -8.388 -3.080 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.581 -7.393 -3.693 1.00 0.00 O ATOM 488 NE2 GLN A 32 -4.697 -9.582 -3.268 1.00 0.00 N ATOM 0 H GLN A 32 -0.223 -8.729 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.326 -7.275 -4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.277 -7.187 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.604 -6.204 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.521 -9.229 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.495 -8.129 -1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.340 -10.379 -2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.453 -9.712 -3.940 1.00 0.00 H new ATOM 497 N CYS A 33 0.510 -6.069 -4.504 1.00 0.00 N ATOM 498 CA CYS A 33 1.370 -4.914 -4.748 1.00 0.00 C ATOM 499 C CYS A 33 0.826 -3.970 -5.801 1.00 0.00 C ATOM 500 O CYS A 33 0.928 -2.768 -5.641 1.00 0.00 O ATOM 501 CB CYS A 33 2.796 -5.343 -5.082 1.00 0.00 C ATOM 502 SG CYS A 33 3.569 -4.465 -6.485 1.00 0.00 S ATOM 0 H CYS A 33 0.950 -6.970 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 33 1.387 -4.352 -3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.417 -5.199 -4.198 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.795 -6.411 -5.300 1.00 0.00 H new ATOM 507 N LYS A 34 0.239 -4.498 -6.864 1.00 0.00 N ATOM 508 CA LYS A 34 -0.281 -3.639 -7.924 1.00 0.00 C ATOM 509 C LYS A 34 -1.326 -2.664 -7.378 1.00 0.00 C ATOM 510 O LYS A 34 -1.277 -1.471 -7.661 1.00 0.00 O ATOM 511 CB LYS A 34 -0.842 -4.462 -9.095 1.00 0.00 C ATOM 512 CG LYS A 34 -1.992 -5.393 -8.733 1.00 0.00 C ATOM 513 CD LYS A 34 -2.382 -6.277 -9.910 1.00 0.00 C ATOM 514 CE LYS A 34 -2.803 -5.453 -11.119 1.00 0.00 C ATOM 515 NZ LYS A 34 -3.151 -6.311 -12.276 1.00 0.00 N ATOM 0 H LYS A 34 0.111 -5.498 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 34 0.553 -3.053 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.180 -3.777 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.034 -5.056 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.705 -6.017 -7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.853 -4.804 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.541 -6.915 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.200 -6.935 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.660 -4.833 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.994 -4.777 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.432 -5.713 -13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.326 -6.885 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.940 -6.938 -12.018 1.00 0.00 H new ATOM 529 N LYS A 35 -2.235 -3.172 -6.563 1.00 0.00 N ATOM 530 CA LYS A 35 -3.273 -2.346 -5.967 1.00 0.00 C ATOM 531 C LYS A 35 -2.689 -1.391 -4.935 1.00 0.00 C ATOM 532 O LYS A 35 -2.871 -0.180 -5.029 1.00 0.00 O ATOM 533 CB LYS A 35 -4.349 -3.221 -5.319 1.00 0.00 C ATOM 534 CG LYS A 35 -5.326 -3.845 -6.302 1.00 0.00 C ATOM 535 CD LYS A 35 -6.259 -2.795 -6.894 1.00 0.00 C ATOM 536 CE LYS A 35 -7.326 -3.421 -7.779 1.00 0.00 C ATOM 537 NZ LYS A 35 -6.742 -4.070 -8.975 1.00 0.00 N ATOM 0 H LYS A 35 -2.276 -4.156 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.727 -1.756 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.862 -4.016 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.908 -2.618 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.775 -4.338 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.912 -4.613 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.736 -2.238 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.678 -2.079 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.888 -4.158 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.034 -2.654 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.506 -4.395 -9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.144 -3.388 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.166 -4.884 -8.681 1.00 0.00 H new ATOM 551 N LEU A 36 -1.968 -1.946 -3.973 1.00 0.00 N ATOM 552 CA LEU A 36 -1.403 -1.166 -2.877 1.00 0.00 C ATOM 553 C LEU A 36 -0.419 -0.103 -3.373 1.00 0.00 C ATOM 554 O LEU A 36 -0.487 1.056 -2.952 1.00 0.00 O ATOM 555 CB LEU A 36 -0.756 -2.095 -1.842 1.00 0.00 C ATOM 556 CG LEU A 36 -1.708 -3.130 -1.221 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.029 -3.927 -0.123 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.945 -2.456 -0.694 1.00 0.00 C ATOM 0 H LEU A 36 -1.758 -2.943 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.219 -0.628 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.073 -2.622 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.332 -1.487 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.995 -3.829 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.733 -4.648 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.169 -4.455 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.696 -3.251 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.608 -3.203 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.666 -1.729 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.458 -1.947 -1.510 1.00 0.00 H new ATOM 570 N ARG A 37 0.489 -0.486 -4.277 1.00 0.00 N ATOM 571 CA ARG A 37 1.434 0.476 -4.839 1.00 0.00 C ATOM 572 C ARG A 37 0.687 1.617 -5.534 1.00 0.00 C ATOM 573 O ARG A 37 1.039 2.784 -5.377 1.00 0.00 O ATOM 574 CB ARG A 37 2.372 -0.189 -5.841 1.00 0.00 C ATOM 575 CG ARG A 37 3.630 0.612 -6.122 1.00 0.00 C ATOM 576 CD ARG A 37 4.308 0.152 -7.399 1.00 0.00 C ATOM 577 NE ARG A 37 3.722 0.780 -8.582 1.00 0.00 N ATOM 578 CZ ARG A 37 4.084 0.520 -9.835 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.023 -0.381 -10.088 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.504 1.170 -10.829 1.00 0.00 N ATOM 0 H ARG A 37 0.587 -1.439 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 37 2.025 0.873 -4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.654 -1.172 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.836 -0.348 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.379 1.670 -6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.321 0.511 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.371 0.388 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.225 -0.932 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 37 2.982 1.467 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.472 -0.879 -9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.296 -0.576 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.784 1.865 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.776 0.976 -11.793 1.00 0.00 H new ATOM 594 N SER A 38 -0.356 1.263 -6.297 1.00 0.00 N ATOM 595 CA SER A 38 -1.156 2.255 -7.026 1.00 0.00 C ATOM 596 C SER A 38 -1.807 3.269 -6.085 1.00 0.00 C ATOM 597 O SER A 38 -1.973 4.442 -6.441 1.00 0.00 O ATOM 598 CB SER A 38 -2.220 1.570 -7.878 1.00 0.00 C ATOM 599 OG SER A 38 -1.622 0.785 -8.895 1.00 0.00 O ATOM 0 H SER A 38 -0.665 0.299 -6.425 1.00 0.00 H new ATOM 0 HA SER A 38 -0.474 2.799 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.847 0.940 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.871 2.320 -8.327 1.00 0.00 H new ATOM 0 HG SER A 38 -1.552 -0.144 -8.592 1.00 0.00 H new ATOM 605 N SER A 39 -2.176 2.820 -4.898 1.00 0.00 N ATOM 606 CA SER A 39 -2.779 3.696 -3.914 1.00 0.00 C ATOM 607 C SER A 39 -1.745 4.683 -3.377 1.00 0.00 C ATOM 608 O SER A 39 -2.033 5.864 -3.182 1.00 0.00 O ATOM 609 CB SER A 39 -3.355 2.874 -2.767 1.00 0.00 C ATOM 610 OG SER A 39 -4.171 1.819 -3.250 1.00 0.00 O ATOM 0 H SER A 39 -2.068 1.852 -4.594 1.00 0.00 H new ATOM 0 HA SER A 39 -3.583 4.255 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.543 2.463 -2.167 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.940 3.519 -2.112 1.00 0.00 H new ATOM 0 HG SER A 39 -4.956 2.193 -3.702 1.00 0.00 H new ATOM 616 N PHE A 40 -0.537 4.192 -3.163 1.00 0.00 N ATOM 617 CA PHE A 40 0.539 5.002 -2.640 1.00 0.00 C ATOM 618 C PHE A 40 1.086 5.983 -3.670 1.00 0.00 C ATOM 619 O PHE A 40 1.279 7.160 -3.374 1.00 0.00 O ATOM 620 CB PHE A 40 1.638 4.108 -2.086 1.00 0.00 C ATOM 621 CG PHE A 40 1.421 3.771 -0.646 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.365 2.964 -0.259 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.256 4.287 0.328 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.145 2.678 1.069 1.00 0.00 C ATOM 625 CE2 PHE A 40 2.046 4.001 1.659 1.00 0.00 C ATOM 626 CZ PHE A 40 0.988 3.199 2.030 1.00 0.00 C ATOM 0 H PHE A 40 -0.279 3.223 -3.348 1.00 0.00 H new ATOM 0 HA PHE A 40 0.134 5.609 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.684 3.188 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.601 4.606 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.295 2.553 -1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.082 4.921 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.684 2.049 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.709 4.404 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.818 2.978 3.073 1.00 0.00 H new ATOM 636 N GLU A 41 1.310 5.514 -4.883 1.00 0.00 N ATOM 637 CA GLU A 41 1.830 6.374 -5.946 1.00 0.00 C ATOM 638 C GLU A 41 0.760 7.350 -6.439 1.00 0.00 C ATOM 639 O GLU A 41 1.024 8.191 -7.296 1.00 0.00 O ATOM 640 CB GLU A 41 2.356 5.549 -7.121 1.00 0.00 C ATOM 641 CG GLU A 41 1.284 4.745 -7.833 1.00 0.00 C ATOM 642 CD GLU A 41 1.797 4.022 -9.059 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.947 2.786 -9.007 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.031 4.687 -10.093 1.00 0.00 O ATOM 0 H GLU A 41 1.143 4.547 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 41 2.657 6.944 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.832 6.218 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.127 4.869 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.864 4.017 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.473 5.412 -8.125 1.00 0.00 H new ATOM 651 N SER A 42 -0.443 7.224 -5.893 1.00 0.00 N ATOM 652 CA SER A 42 -1.563 8.045 -6.309 1.00 0.00 C ATOM 653 C SER A 42 -1.285 9.525 -6.054 1.00 0.00 C ATOM 654 O SER A 42 -1.643 10.380 -6.867 1.00 0.00 O ATOM 655 CB SER A 42 -2.847 7.603 -5.587 1.00 0.00 C ATOM 656 OG SER A 42 -3.991 8.294 -6.077 1.00 0.00 O ATOM 0 H SER A 42 -0.664 6.555 -5.156 1.00 0.00 H new ATOM 0 HA SER A 42 -1.702 7.911 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.987 6.530 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.743 7.784 -4.517 1.00 0.00 H new ATOM 0 HG SER A 42 -4.745 7.672 -6.143 1.00 0.00 H new ATOM 662 N SER A 43 -0.642 9.832 -4.930 1.00 0.00 N ATOM 663 CA SER A 43 -0.352 11.222 -4.605 1.00 0.00 C ATOM 664 C SER A 43 0.935 11.378 -3.785 1.00 0.00 C ATOM 665 O SER A 43 2.010 11.591 -4.353 1.00 0.00 O ATOM 666 CB SER A 43 -1.538 11.852 -3.866 1.00 0.00 C ATOM 667 OG SER A 43 -2.692 11.897 -4.691 1.00 0.00 O ATOM 0 H SER A 43 -0.318 9.151 -4.243 1.00 0.00 H new ATOM 0 HA SER A 43 -0.193 11.746 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.754 11.278 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.276 12.861 -3.547 1.00 0.00 H new ATOM 0 HG SER A 43 -3.401 11.350 -4.292 1.00 0.00 H new ATOM 673 N CYS A 44 0.814 11.226 -2.457 1.00 0.00 N ATOM 674 CA CYS A 44 1.938 11.394 -1.513 1.00 0.00 C ATOM 675 C CYS A 44 1.422 11.449 -0.055 1.00 0.00 C ATOM 676 O CYS A 44 1.893 10.687 0.793 1.00 0.00 O ATOM 677 CB CYS A 44 2.779 12.661 -1.837 1.00 0.00 C ATOM 678 SG CYS A 44 3.936 13.192 -0.519 1.00 0.00 S ATOM 0 H CYS A 44 -0.067 10.983 -2.003 1.00 0.00 H new ATOM 0 HA CYS A 44 2.589 10.527 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.351 12.475 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.097 13.484 -2.052 1.00 0.00 H new ATOM 683 N PRO A 45 0.440 12.357 0.266 1.00 0.00 N ATOM 684 CA PRO A 45 -0.133 12.445 1.621 1.00 0.00 C ATOM 685 C PRO A 45 -0.894 11.175 1.996 1.00 0.00 C ATOM 686 O PRO A 45 -1.600 10.590 1.165 1.00 0.00 O ATOM 687 CB PRO A 45 -1.097 13.637 1.535 1.00 0.00 C ATOM 688 CG PRO A 45 -1.403 13.775 0.087 1.00 0.00 C ATOM 689 CD PRO A 45 -0.158 13.366 -0.634 1.00 0.00 C ATOM 0 HA PRO A 45 0.637 12.565 2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.002 13.456 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.640 14.544 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.245 13.143 -0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.678 14.801 -0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.381 12.948 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.512 14.211 -0.792 1.00 0.00 H new ATOM 697 N GLN A 46 -0.770 10.769 3.251 1.00 0.00 N ATOM 698 CA GLN A 46 -1.389 9.539 3.732 1.00 0.00 C ATOM 699 C GLN A 46 -2.900 9.647 3.749 1.00 0.00 C ATOM 700 O GLN A 46 -3.589 8.643 3.618 1.00 0.00 O ATOM 701 CB GLN A 46 -0.884 9.197 5.126 1.00 0.00 C ATOM 702 CG GLN A 46 -1.312 7.824 5.616 1.00 0.00 C ATOM 703 CD GLN A 46 -0.720 7.473 6.965 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.482 8.338 7.799 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.465 6.195 7.176 1.00 0.00 N ATOM 0 H GLN A 46 -0.242 11.277 3.961 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.111 8.742 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.205 9.251 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.243 9.950 5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.399 7.789 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.012 7.073 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.679 5.506 6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.054 5.896 8.061 1.00 0.00 H new ATOM 714 N GLN A 47 -3.406 10.860 3.917 1.00 0.00 N ATOM 715 CA GLN A 47 -4.844 11.088 3.956 1.00 0.00 C ATOM 716 C GLN A 47 -5.518 10.492 2.712 1.00 0.00 C ATOM 717 O GLN A 47 -6.356 9.601 2.822 1.00 0.00 O ATOM 718 CB GLN A 47 -5.143 12.585 4.066 1.00 0.00 C ATOM 719 CG GLN A 47 -6.593 12.906 4.394 1.00 0.00 C ATOM 720 CD GLN A 47 -7.009 12.391 5.763 1.00 0.00 C ATOM 721 OE1 GLN A 47 -6.189 12.287 6.681 1.00 0.00 O ATOM 722 NE2 GLN A 47 -8.276 12.079 5.914 1.00 0.00 N ATOM 0 H GLN A 47 -2.842 11.703 4.029 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.250 10.590 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.503 13.017 4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.879 13.067 3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.740 13.985 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.239 12.469 3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.923 12.179 5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.613 11.737 6.814 1.00 0.00 H new ATOM 731 N TRP A 48 -5.123 10.973 1.538 1.00 0.00 N ATOM 732 CA TRP A 48 -5.667 10.463 0.281 1.00 0.00 C ATOM 733 C TRP A 48 -5.229 9.019 0.043 1.00 0.00 C ATOM 734 O TRP A 48 -6.052 8.158 -0.290 1.00 0.00 O ATOM 735 CB TRP A 48 -5.219 11.348 -0.894 1.00 0.00 C ATOM 736 CG TRP A 48 -5.619 10.819 -2.248 1.00 0.00 C ATOM 737 CD1 TRP A 48 -4.948 9.892 -2.995 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.773 11.189 -3.011 1.00 0.00 C ATOM 739 NE1 TRP A 48 -5.609 9.667 -4.172 1.00 0.00 N ATOM 740 CE2 TRP A 48 -6.734 10.447 -4.209 1.00 0.00 C ATOM 741 CE3 TRP A 48 -7.836 12.072 -2.801 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -7.715 10.565 -5.190 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -8.809 12.185 -3.775 1.00 0.00 C ATOM 744 CH2 TRP A 48 -8.743 11.436 -4.956 1.00 0.00 C ATOM 0 H TRP A 48 -4.430 11.713 1.429 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.755 10.487 0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.641 12.345 -0.766 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.135 11.454 -0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.029 9.407 -2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.312 9.022 -4.904 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.896 12.655 -1.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.666 9.990 -6.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.635 12.863 -3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.520 11.548 -5.698 1.00 0.00 H new ATOM 755 N ILE A 49 -3.933 8.761 0.223 1.00 0.00 N ATOM 756 CA ILE A 49 -3.366 7.437 -0.013 1.00 0.00 C ATOM 757 C ILE A 49 -4.092 6.360 0.771 1.00 0.00 C ATOM 758 O ILE A 49 -4.662 5.449 0.186 1.00 0.00 O ATOM 759 CB ILE A 49 -1.853 7.395 0.313 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.068 8.134 -0.773 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.355 5.954 0.466 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.420 8.180 -0.526 1.00 0.00 C ATOM 0 H ILE A 49 -3.255 9.457 0.533 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.498 7.234 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.691 7.896 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.253 7.652 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.445 9.154 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.289 5.960 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.897 5.466 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.524 5.410 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.907 8.720 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.617 8.689 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.813 7.164 -0.479 1.00 0.00 H new ATOM 774 N LYS A 50 -4.104 6.483 2.088 1.00 0.00 N ATOM 775 CA LYS A 50 -4.729 5.481 2.917 1.00 0.00 C ATOM 776 C LYS A 50 -6.236 5.461 2.755 1.00 0.00 C ATOM 777 O LYS A 50 -6.866 4.456 3.033 1.00 0.00 O ATOM 778 CB LYS A 50 -4.314 5.600 4.385 1.00 0.00 C ATOM 779 CG LYS A 50 -2.922 5.041 4.682 1.00 0.00 C ATOM 780 CD LYS A 50 -2.754 3.590 4.212 1.00 0.00 C ATOM 781 CE LYS A 50 -3.775 2.650 4.848 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.559 1.245 4.423 1.00 0.00 N ATOM 0 H LYS A 50 -3.690 7.263 2.598 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.361 4.518 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.343 6.650 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.044 5.077 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.173 5.665 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.734 5.095 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.853 3.549 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.748 3.247 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.706 2.717 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.782 2.964 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.237 0.626 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.699 1.168 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.590 0.955 4.663 1.00 0.00 H new ATOM 796 N TYR A 51 -6.814 6.575 2.318 1.00 0.00 N ATOM 797 CA TYR A 51 -8.250 6.616 2.052 1.00 0.00 C ATOM 798 C TYR A 51 -8.603 5.672 0.897 1.00 0.00 C ATOM 799 O TYR A 51 -9.510 4.846 1.012 1.00 0.00 O ATOM 800 CB TYR A 51 -8.714 8.043 1.729 1.00 0.00 C ATOM 801 CG TYR A 51 -10.184 8.141 1.375 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.165 7.942 2.338 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.588 8.433 0.077 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.508 8.027 2.017 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.925 8.520 -0.250 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.881 8.316 0.723 1.00 0.00 C ATOM 807 OH TYR A 51 -14.216 8.401 0.398 1.00 0.00 O ATOM 0 H TYR A 51 -6.320 7.450 2.142 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.769 6.287 2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.513 8.684 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.123 8.428 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.875 7.717 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.843 8.594 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.259 7.868 2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.222 8.747 -1.263 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.308 8.613 -0.554 1.00 0.00 H new ATOM 817 N PHE A 52 -7.875 5.789 -0.211 1.00 0.00 N ATOM 818 CA PHE A 52 -8.108 4.928 -1.368 1.00 0.00 C ATOM 819 C PHE A 52 -7.588 3.515 -1.095 1.00 0.00 C ATOM 820 O PHE A 52 -8.197 2.517 -1.500 1.00 0.00 O ATOM 821 CB PHE A 52 -7.434 5.514 -2.615 1.00 0.00 C ATOM 822 CG PHE A 52 -7.586 4.665 -3.850 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.813 4.543 -4.477 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.499 3.994 -4.382 1.00 0.00 C ATOM 825 CE1 PHE A 52 -8.956 3.766 -5.611 1.00 0.00 C ATOM 826 CE2 PHE A 52 -6.633 3.214 -5.516 1.00 0.00 C ATOM 827 CZ PHE A 52 -7.863 3.100 -6.131 1.00 0.00 C ATOM 0 H PHE A 52 -7.123 6.467 -0.332 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.182 4.873 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.852 6.501 -2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.372 5.653 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.671 5.062 -4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.534 4.081 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.920 3.680 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.776 2.695 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.971 2.492 -7.017 1.00 0.00 H new ATOM 837 N ASP A 53 -6.479 3.448 -0.393 1.00 0.00 N ATOM 838 CA ASP A 53 -5.829 2.185 -0.056 1.00 0.00 C ATOM 839 C ASP A 53 -6.653 1.383 0.949 1.00 0.00 C ATOM 840 O ASP A 53 -6.582 0.178 0.978 1.00 0.00 O ATOM 841 CB ASP A 53 -4.437 2.456 0.513 1.00 0.00 C ATOM 842 CG ASP A 53 -3.631 1.204 0.724 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.246 0.577 -0.271 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.359 0.866 1.897 1.00 0.00 O ATOM 0 H ASP A 53 -5.993 4.270 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.745 1.595 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.897 3.118 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.535 2.982 1.463 1.00 0.00 H new ATOM 849 N LYS A 54 -7.461 2.077 1.735 1.00 0.00 N ATOM 850 CA LYS A 54 -8.252 1.470 2.824 1.00 0.00 C ATOM 851 C LYS A 54 -9.045 0.228 2.379 1.00 0.00 C ATOM 852 O LYS A 54 -9.162 -0.738 3.134 1.00 0.00 O ATOM 853 CB LYS A 54 -9.210 2.519 3.399 1.00 0.00 C ATOM 854 CG LYS A 54 -10.064 2.035 4.558 1.00 0.00 C ATOM 855 CD LYS A 54 -10.950 3.152 5.082 1.00 0.00 C ATOM 856 CE LYS A 54 -11.813 2.683 6.236 1.00 0.00 C ATOM 857 NZ LYS A 54 -12.616 3.790 6.811 1.00 0.00 N ATOM 0 H LYS A 54 -7.596 3.084 1.645 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.547 1.133 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.628 3.379 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.867 2.866 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.681 1.197 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.423 1.668 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.330 3.988 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.586 3.521 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.479 1.891 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.180 2.253 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.193 3.429 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.980 4.534 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.239 4.184 6.078 1.00 0.00 H new ATOM 871 N ARG A 55 -9.567 0.248 1.169 1.00 0.00 N ATOM 872 CA ARG A 55 -10.376 -0.865 0.676 1.00 0.00 C ATOM 873 C ARG A 55 -9.509 -1.961 0.021 1.00 0.00 C ATOM 874 O ARG A 55 -9.959 -3.091 -0.167 1.00 0.00 O ATOM 875 CB ARG A 55 -11.417 -0.345 -0.323 1.00 0.00 C ATOM 876 CG ARG A 55 -12.399 -1.395 -0.822 1.00 0.00 C ATOM 877 CD ARG A 55 -13.327 -0.821 -1.879 1.00 0.00 C ATOM 878 NE ARG A 55 -14.156 0.260 -1.353 1.00 0.00 N ATOM 879 CZ ARG A 55 -14.283 1.464 -1.915 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.632 1.750 -3.037 1.00 0.00 N ATOM 881 NH2 ARG A 55 -15.070 2.377 -1.360 1.00 0.00 N ATOM 0 H ARG A 55 -9.450 1.015 0.507 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.881 -1.317 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.978 0.464 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.896 0.082 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.851 -2.241 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.986 -1.774 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.736 -0.450 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.968 -1.613 -2.267 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.676 0.082 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.033 1.048 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.731 2.671 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.579 2.159 -0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.166 3.297 -1.790 1.00 0.00 H new ATOM 895 N ARG A 56 -8.281 -1.622 -0.337 1.00 0.00 N ATOM 896 CA ARG A 56 -7.391 -2.570 -1.024 1.00 0.00 C ATOM 897 C ARG A 56 -6.289 -3.093 -0.103 1.00 0.00 C ATOM 898 O ARG A 56 -5.687 -4.138 -0.371 1.00 0.00 O ATOM 899 CB ARG A 56 -6.770 -1.921 -2.279 1.00 0.00 C ATOM 900 CG ARG A 56 -7.705 -1.875 -3.488 1.00 0.00 C ATOM 901 CD ARG A 56 -8.978 -1.107 -3.188 1.00 0.00 C ATOM 902 NE ARG A 56 -10.020 -1.328 -4.189 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.913 -2.327 -4.145 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.823 -3.271 -3.207 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.890 -2.380 -5.042 1.00 0.00 N ATOM 0 H ARG A 56 -7.871 -0.704 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.001 -3.421 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.461 -0.905 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.869 -2.471 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.190 -1.410 -4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.957 -2.891 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.353 -1.402 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.751 -0.042 -3.135 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.071 -0.678 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.072 -3.235 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.505 -4.029 -3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.960 -1.662 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.571 -3.139 -5.011 1.00 0.00 H new ATOM 919 N ASP A 57 -6.048 -2.353 0.965 1.00 0.00 N ATOM 920 CA ASP A 57 -4.987 -2.635 1.938 1.00 0.00 C ATOM 921 C ASP A 57 -4.979 -4.078 2.403 1.00 0.00 C ATOM 922 O ASP A 57 -5.999 -4.613 2.847 1.00 0.00 O ATOM 923 CB ASP A 57 -5.125 -1.699 3.145 1.00 0.00 C ATOM 924 CG ASP A 57 -4.008 -1.853 4.171 1.00 0.00 C ATOM 925 OD1 ASP A 57 -3.072 -2.649 3.940 1.00 0.00 O ATOM 926 OD2 ASP A 57 -4.061 -1.156 5.212 1.00 0.00 O ATOM 0 H ASP A 57 -6.591 -1.520 1.192 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.038 -2.460 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.144 -0.667 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.082 -1.887 3.632 1.00 0.00 H new ATOM 931 N TYR A 58 -3.850 -4.722 2.210 1.00 0.00 N ATOM 932 CA TYR A 58 -3.629 -6.046 2.722 1.00 0.00 C ATOM 933 C TYR A 58 -2.422 -6.054 3.676 1.00 0.00 C ATOM 934 O TYR A 58 -2.551 -6.342 4.861 1.00 0.00 O ATOM 935 CB TYR A 58 -3.447 -7.039 1.580 1.00 0.00 C ATOM 936 CG TYR A 58 -3.384 -8.486 2.026 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.374 -9.033 2.831 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.340 -9.301 1.633 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.317 -10.354 3.231 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.271 -10.619 2.026 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.262 -11.143 2.826 1.00 0.00 C ATOM 942 OH TYR A 58 -3.206 -12.465 3.215 1.00 0.00 O ATOM 0 H TYR A 58 -3.060 -4.337 1.692 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.506 -6.356 3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.271 -6.922 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.531 -6.795 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.201 -8.416 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.561 -8.896 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.094 -10.766 3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.445 -11.238 1.709 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.400 -12.881 2.844 1.00 0.00 H new ATOM 952 N LEU A 59 -1.245 -5.729 3.127 1.00 0.00 N ATOM 953 CA LEU A 59 0.007 -5.707 3.904 1.00 0.00 C ATOM 954 C LEU A 59 0.167 -4.462 4.761 1.00 0.00 C ATOM 955 O LEU A 59 0.750 -4.527 5.841 1.00 0.00 O ATOM 956 CB LEU A 59 1.227 -5.802 2.989 1.00 0.00 C ATOM 957 CG LEU A 59 1.648 -7.187 2.531 1.00 0.00 C ATOM 958 CD1 LEU A 59 0.560 -7.851 1.729 1.00 0.00 C ATOM 959 CD2 LEU A 59 2.910 -7.085 1.724 1.00 0.00 C ATOM 0 H LEU A 59 -1.130 -5.477 2.145 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.056 -6.574 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.032 -5.199 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.072 -5.346 3.505 1.00 0.00 H new ATOM 0 HG LEU A 59 1.830 -7.804 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.892 -8.841 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.337 -7.946 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.337 -7.248 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.213 -8.079 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.735 -6.452 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.699 -6.650 2.337 1.00 0.00 H new ATOM 971 N LYS A 60 -0.311 -3.332 4.270 1.00 0.00 N ATOM 972 CA LYS A 60 -0.135 -2.062 4.969 1.00 0.00 C ATOM 973 C LYS A 60 -0.781 -2.100 6.365 1.00 0.00 C ATOM 974 O LYS A 60 -0.370 -1.367 7.265 1.00 0.00 O ATOM 975 CB LYS A 60 -0.667 -0.896 4.119 1.00 0.00 C ATOM 976 CG LYS A 60 -0.157 0.485 4.532 1.00 0.00 C ATOM 977 CD LYS A 60 1.368 0.601 4.421 1.00 0.00 C ATOM 978 CE LYS A 60 1.871 0.273 3.011 1.00 0.00 C ATOM 979 NZ LYS A 60 3.207 0.883 2.744 1.00 0.00 N ATOM 0 H LYS A 60 -0.824 -3.263 3.391 1.00 0.00 H new ATOM 0 HA LYS A 60 0.932 -1.898 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.396 -1.071 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.756 -0.896 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.623 1.244 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.461 0.690 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.674 1.612 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.835 -0.074 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.934 -0.808 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.153 0.635 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.671 0.375 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.086 1.883 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.796 0.817 3.599 1.00 0.00 H new ATOM 993 N PHE A 61 -1.793 -2.959 6.529 1.00 0.00 N ATOM 994 CA PHE A 61 -2.438 -3.181 7.834 1.00 0.00 C ATOM 995 C PHE A 61 -1.419 -3.549 8.905 1.00 0.00 C ATOM 996 O PHE A 61 -1.582 -3.204 10.078 1.00 0.00 O ATOM 997 CB PHE A 61 -3.468 -4.308 7.750 1.00 0.00 C ATOM 998 CG PHE A 61 -4.805 -3.892 7.242 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.283 -4.374 6.040 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -5.595 -3.024 7.978 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.531 -3.996 5.584 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -6.838 -2.642 7.523 1.00 0.00 C ATOM 1003 CZ PHE A 61 -7.308 -3.129 6.323 1.00 0.00 C ATOM 0 H PHE A 61 -2.187 -3.516 5.771 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.928 -2.245 8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.076 -5.092 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.591 -4.745 8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.678 -5.050 5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.232 -2.642 8.921 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.900 -4.381 4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.442 -1.963 8.106 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.282 -2.833 5.962 1.00 0.00 H new ATOM 1013 N LYS A 62 -0.367 -4.247 8.498 1.00 0.00 N ATOM 1014 CA LYS A 62 0.660 -4.706 9.423 1.00 0.00 C ATOM 1015 C LYS A 62 1.446 -3.528 10.011 1.00 0.00 C ATOM 1016 O LYS A 62 2.152 -3.673 11.003 1.00 0.00 O ATOM 1017 CB LYS A 62 1.591 -5.717 8.740 1.00 0.00 C ATOM 1018 CG LYS A 62 2.593 -6.372 9.681 1.00 0.00 C ATOM 1019 CD LYS A 62 3.314 -7.544 9.024 1.00 0.00 C ATOM 1020 CE LYS A 62 2.354 -8.682 8.692 1.00 0.00 C ATOM 1021 NZ LYS A 62 3.071 -9.886 8.204 1.00 0.00 N ATOM 0 H LYS A 62 -0.202 -4.509 7.526 1.00 0.00 H new ATOM 0 HA LYS A 62 0.167 -5.212 10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.986 -6.494 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.135 -5.212 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.325 -5.631 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.076 -6.720 10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.805 -7.204 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.096 -7.910 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.775 -8.939 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.645 -8.349 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.468 -10.399 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.952 -9.598 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.296 -10.506 9.008 1.00 0.00 H new ATOM 1035 N GLU A 63 1.310 -2.360 9.396 1.00 0.00 N ATOM 1036 CA GLU A 63 1.970 -1.160 9.887 1.00 0.00 C ATOM 1037 C GLU A 63 1.166 -0.564 11.060 1.00 0.00 C ATOM 1038 O GLU A 63 1.572 0.423 11.679 1.00 0.00 O ATOM 1039 CB GLU A 63 2.131 -0.138 8.748 1.00 0.00 C ATOM 1040 CG GLU A 63 3.053 1.027 9.081 1.00 0.00 C ATOM 1041 CD GLU A 63 4.413 0.567 9.559 1.00 0.00 C ATOM 1042 OE1 GLU A 63 5.277 0.259 8.716 1.00 0.00 O ATOM 1043 OE2 GLU A 63 4.625 0.505 10.781 1.00 0.00 O ATOM 0 H GLU A 63 0.748 -2.219 8.556 1.00 0.00 H new ATOM 0 HA GLU A 63 2.965 -1.418 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.516 -0.651 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.149 0.254 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.174 1.655 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.590 1.645 9.850 1.00 0.00 H new ATOM 1050 N LYS A 64 0.023 -1.193 11.353 1.00 0.00 N ATOM 1051 CA LYS A 64 -0.842 -0.802 12.464 1.00 0.00 C ATOM 1052 C LYS A 64 -1.400 0.614 12.277 1.00 0.00 C ATOM 1053 O LYS A 64 -1.162 1.513 13.092 1.00 0.00 O ATOM 1054 CB LYS A 64 -0.110 -0.946 13.812 1.00 0.00 C ATOM 1055 CG LYS A 64 -1.008 -0.767 15.034 1.00 0.00 C ATOM 1056 CD LYS A 64 -0.239 -0.978 16.329 1.00 0.00 C ATOM 1057 CE LYS A 64 0.216 -2.423 16.483 1.00 0.00 C ATOM 1058 NZ LYS A 64 0.996 -2.630 17.726 1.00 0.00 N ATOM 0 H LYS A 64 -0.327 -1.991 10.822 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.693 -1.483 12.473 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.354 -1.931 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.695 -0.212 13.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.440 0.234 15.025 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.837 -1.473 14.983 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.629 -0.319 16.349 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.868 -0.702 17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.655 -3.079 16.488 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.823 -2.706 15.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.286 -3.627 17.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.841 -2.024 17.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.409 -2.385 18.549 1.00 0.00 H new ATOM 1072 N PHE A 65 -2.098 0.815 11.175 1.00 0.00 N ATOM 1073 CA PHE A 65 -2.725 2.093 10.899 1.00 0.00 C ATOM 1074 C PHE A 65 -4.208 2.032 11.263 1.00 0.00 C ATOM 1075 O PHE A 65 -4.828 0.972 11.175 1.00 0.00 O ATOM 1076 CB PHE A 65 -2.548 2.478 9.421 1.00 0.00 C ATOM 1077 CG PHE A 65 -3.165 3.803 9.062 1.00 0.00 C ATOM 1078 CD1 PHE A 65 -2.616 4.987 9.531 1.00 0.00 C ATOM 1079 CD2 PHE A 65 -4.295 3.866 8.263 1.00 0.00 C ATOM 1080 CE1 PHE A 65 -3.182 6.206 9.209 1.00 0.00 C ATOM 1081 CE2 PHE A 65 -4.865 5.082 7.937 1.00 0.00 C ATOM 1082 CZ PHE A 65 -4.308 6.252 8.411 1.00 0.00 C ATOM 0 H PHE A 65 -2.245 0.107 10.455 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.243 2.858 11.507 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.484 2.508 9.188 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.989 1.701 8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.735 4.956 10.155 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.736 2.953 7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.745 7.121 9.581 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.745 5.116 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.752 7.203 8.158 1.00 0.00 H new ATOM 1092 N GLU A 66 -4.759 3.162 11.677 1.00 0.00 N ATOM 1093 CA GLU A 66 -6.158 3.243 12.068 1.00 0.00 C ATOM 1094 C GLU A 66 -7.073 3.117 10.856 1.00 0.00 C ATOM 1095 O GLU A 66 -7.120 4.006 10.003 1.00 0.00 O ATOM 1096 CB GLU A 66 -6.432 4.562 12.781 1.00 0.00 C ATOM 1097 CG GLU A 66 -5.558 4.795 13.996 1.00 0.00 C ATOM 1098 CD GLU A 66 -5.825 6.127 14.648 1.00 0.00 C ATOM 1099 OE1 GLU A 66 -5.241 7.130 14.214 1.00 0.00 O ATOM 1100 OE2 GLU A 66 -6.623 6.178 15.607 1.00 0.00 O ATOM 0 H GLU A 66 -4.253 4.044 11.751 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.364 2.415 12.747 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.285 5.382 12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.478 4.588 13.087 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.727 3.998 14.720 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.510 4.741 13.702 1.00 0.00 H new ATOM 1107 N ALA A 67 -7.783 2.015 10.779 1.00 0.00 N ATOM 1108 CA ALA A 67 -8.713 1.782 9.695 1.00 0.00 C ATOM 1109 C ALA A 67 -10.125 2.169 10.114 1.00 0.00 C ATOM 1110 O ALA A 67 -10.972 2.475 9.273 1.00 0.00 O ATOM 1111 CB ALA A 67 -8.665 0.328 9.253 1.00 0.00 C ATOM 0 H ALA A 67 -7.734 1.258 11.461 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.421 2.406 8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.371 0.172 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.658 0.084 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.931 -0.316 10.091 1.00 0.00 H new ATOM 1117 N GLY A 68 -10.370 2.154 11.424 1.00 0.00 N ATOM 1118 CA GLY A 68 -11.677 2.512 11.938 1.00 0.00 C ATOM 1119 C GLY A 68 -12.708 1.436 11.687 1.00 0.00 C ATOM 1120 O GLY A 68 -13.873 1.739 11.441 1.00 0.00 O ATOM 0 H GLY A 68 -9.685 1.900 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.604 2.699 13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.005 3.442 11.473 1.00 0.00 H new ATOM 1124 N GLN A 69 -12.266 0.173 11.736 1.00 0.00 N ATOM 1125 CA GLN A 69 -13.130 -0.984 11.480 1.00 0.00 C ATOM 1126 C GLN A 69 -13.684 -0.910 10.060 1.00 0.00 C ATOM 1127 O GLN A 69 -14.781 -0.390 9.825 1.00 0.00 O ATOM 1128 CB GLN A 69 -14.268 -1.073 12.512 1.00 0.00 C ATOM 1129 CG GLN A 69 -15.055 -2.373 12.460 1.00 0.00 C ATOM 1130 CD GLN A 69 -14.207 -3.582 12.799 1.00 0.00 C ATOM 1131 OE1 GLN A 69 -13.600 -4.193 11.924 1.00 0.00 O ATOM 1132 NE2 GLN A 69 -14.162 -3.934 14.071 1.00 0.00 N ATOM 0 H GLN A 69 -11.301 -0.074 11.954 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.533 -1.891 11.579 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.848 -0.955 13.511 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.953 -0.240 12.354 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.892 -2.315 13.156 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.477 -2.498 11.463 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.681 -3.399 14.767 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.608 -4.741 14.358 1.00 0.00 H new ATOM 1141 N PHE A 70 -12.908 -1.405 9.116 1.00 0.00 N ATOM 1142 CA PHE A 70 -13.271 -1.321 7.714 1.00 0.00 C ATOM 1143 C PHE A 70 -14.335 -2.344 7.341 1.00 0.00 C ATOM 1144 O PHE A 70 -14.408 -3.429 7.920 1.00 0.00 O ATOM 1145 CB PHE A 70 -12.029 -1.493 6.817 1.00 0.00 C ATOM 1146 CG PHE A 70 -11.503 -2.907 6.746 1.00 0.00 C ATOM 1147 CD1 PHE A 70 -11.769 -3.702 5.640 1.00 0.00 C ATOM 1148 CD2 PHE A 70 -10.753 -3.439 7.783 1.00 0.00 C ATOM 1149 CE1 PHE A 70 -11.297 -4.997 5.570 1.00 0.00 C ATOM 1150 CE2 PHE A 70 -10.278 -4.735 7.716 1.00 0.00 C ATOM 1151 CZ PHE A 70 -10.550 -5.514 6.609 1.00 0.00 C ATOM 0 H PHE A 70 -12.019 -1.871 9.295 1.00 0.00 H new ATOM 0 HA PHE A 70 -13.692 -0.329 7.549 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -12.274 -1.158 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -11.237 -0.841 7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.353 -3.302 4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -10.538 -2.835 8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -11.512 -5.605 4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.694 -5.139 8.530 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.179 -6.527 6.556 1.00 0.00 H new ATOM 1161 N GLU A 71 -15.155 -1.977 6.382 1.00 0.00 N ATOM 1162 CA GLU A 71 -16.179 -2.850 5.858 1.00 0.00 C ATOM 1163 C GLU A 71 -15.874 -3.132 4.406 1.00 0.00 C ATOM 1164 O GLU A 71 -15.676 -2.193 3.635 1.00 0.00 O ATOM 1165 CB GLU A 71 -17.560 -2.186 5.950 1.00 0.00 C ATOM 1166 CG GLU A 71 -18.051 -1.939 7.360 1.00 0.00 C ATOM 1167 CD GLU A 71 -18.283 -3.215 8.126 1.00 0.00 C ATOM 1168 OE1 GLU A 71 -17.625 -3.417 9.166 1.00 0.00 O ATOM 1169 OE2 GLU A 71 -19.126 -4.028 7.693 1.00 0.00 O ATOM 0 H GLU A 71 -15.129 -1.058 5.941 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.191 -3.771 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.526 -1.234 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.285 -2.814 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.322 -1.328 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.979 -1.369 7.323 1.00 0.00 H new ATOM 1176 N PRO A 72 -15.782 -4.411 4.011 1.00 0.00 N ATOM 1177 CA PRO A 72 -15.575 -4.768 2.613 1.00 0.00 C ATOM 1178 C PRO A 72 -16.668 -4.177 1.764 1.00 0.00 C ATOM 1179 O PRO A 72 -17.833 -4.569 1.851 1.00 0.00 O ATOM 1180 CB PRO A 72 -15.620 -6.298 2.605 1.00 0.00 C ATOM 1181 CG PRO A 72 -15.303 -6.690 4.010 1.00 0.00 C ATOM 1182 CD PRO A 72 -15.851 -5.595 4.882 1.00 0.00 C ATOM 0 HA PRO A 72 -14.637 -4.390 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.601 -6.664 2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.895 -6.713 1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.756 -7.650 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.228 -6.799 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.873 -5.804 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.258 -5.465 5.787 1.00 0.00 H new ATOM 1190 N SER A 73 -16.291 -3.224 0.969 1.00 0.00 N ATOM 1191 CA SER A 73 -17.226 -2.466 0.226 1.00 0.00 C ATOM 1192 C SER A 73 -17.056 -2.639 -1.275 1.00 0.00 C ATOM 1193 O SER A 73 -16.092 -3.257 -1.746 1.00 0.00 O ATOM 1194 CB SER A 73 -17.085 -1.023 0.645 1.00 0.00 C ATOM 1195 OG SER A 73 -15.720 -0.623 0.642 1.00 0.00 O ATOM 0 H SER A 73 -15.318 -2.955 0.822 1.00 0.00 H new ATOM 0 HA SER A 73 -18.234 -2.822 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.656 -0.387 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.505 -0.887 1.641 1.00 0.00 H new ATOM 0 HG SER A 73 -15.287 -0.931 1.466 1.00 0.00 H new ATOM 1201 N GLU A 74 -17.991 -2.086 -2.015 1.00 0.00 N ATOM 1202 CA GLU A 74 -18.017 -2.198 -3.455 1.00 0.00 C ATOM 1203 C GLU A 74 -17.267 -1.040 -4.107 1.00 0.00 C ATOM 1204 O GLU A 74 -16.547 -0.296 -3.442 1.00 0.00 O ATOM 1205 CB GLU A 74 -19.480 -2.227 -3.952 1.00 0.00 C ATOM 1206 CG GLU A 74 -20.270 -0.924 -3.731 1.00 0.00 C ATOM 1207 CD GLU A 74 -20.541 -0.614 -2.268 1.00 0.00 C ATOM 1208 OE1 GLU A 74 -21.550 -1.105 -1.729 1.00 0.00 O ATOM 1209 OE2 GLU A 74 -19.745 0.131 -1.653 1.00 0.00 O ATOM 0 H GLU A 74 -18.762 -1.541 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.520 -3.127 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -19.481 -2.458 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.003 -3.040 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -19.717 -0.095 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.220 -0.991 -4.261 1.00 0.00 H new ATOM 1216 N THR A 75 -17.429 -0.908 -5.401 1.00 0.00 N ATOM 1217 CA THR A 75 -16.847 0.178 -6.145 1.00 0.00 C ATOM 1218 C THR A 75 -17.874 0.671 -7.164 1.00 0.00 C ATOM 1219 O THR A 75 -18.968 0.105 -7.264 1.00 0.00 O ATOM 1220 CB THR A 75 -15.526 -0.255 -6.856 1.00 0.00 C ATOM 1221 OG1 THR A 75 -14.878 0.881 -7.452 1.00 0.00 O ATOM 1222 CG2 THR A 75 -15.793 -1.307 -7.927 1.00 0.00 C ATOM 0 H THR A 75 -17.973 -1.557 -5.970 1.00 0.00 H new ATOM 0 HA THR A 75 -16.586 0.983 -5.458 1.00 0.00 H new ATOM 0 HB THR A 75 -14.873 -0.688 -6.098 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.051 0.592 -7.892 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.854 -1.588 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.244 -2.187 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.472 -0.900 -8.676 1.00 0.00 H new ATOM 1230 N THR A 76 -17.544 1.713 -7.895 1.00 0.00 N ATOM 1231 CA THR A 76 -18.447 2.251 -8.891 1.00 0.00 C ATOM 1232 C THR A 76 -18.567 1.304 -10.087 1.00 0.00 C ATOM 1233 O THR A 76 -17.811 0.336 -10.191 1.00 0.00 O ATOM 1234 CB THR A 76 -17.981 3.637 -9.358 1.00 0.00 C ATOM 1235 OG1 THR A 76 -16.585 3.593 -9.693 1.00 0.00 O ATOM 1236 CG2 THR A 76 -18.207 4.671 -8.268 1.00 0.00 C ATOM 0 H THR A 76 -16.655 2.206 -7.819 1.00 0.00 H new ATOM 0 HA THR A 76 -19.430 2.352 -8.430 1.00 0.00 H new ATOM 0 HB THR A 76 -18.560 3.919 -10.237 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.292 4.479 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 76 -17.871 5.647 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.269 4.718 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 76 -17.644 4.390 -7.378 1.00 0.00 H new ATOM 1244 N ALA A 77 -19.523 1.579 -10.970 1.00 0.00 N ATOM 1245 CA ALA A 77 -19.752 0.749 -12.149 1.00 0.00 C ATOM 1246 C ALA A 77 -18.499 0.650 -13.009 1.00 0.00 C ATOM 1247 O ALA A 77 -18.149 1.586 -13.736 1.00 0.00 O ATOM 1248 CB ALA A 77 -20.916 1.294 -12.964 1.00 0.00 C ATOM 0 H ALA A 77 -20.155 2.375 -10.890 1.00 0.00 H new ATOM 0 HA ALA A 77 -20.002 -0.256 -11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -21.074 0.664 -13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -21.818 1.298 -12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -20.691 2.311 -13.285 1.00 0.00 H new ATOM 1254 N LYS A 78 -17.818 -0.472 -12.907 1.00 0.00 N ATOM 1255 CA LYS A 78 -16.610 -0.706 -13.664 1.00 0.00 C ATOM 1256 C LYS A 78 -16.777 -1.891 -14.604 1.00 0.00 C ATOM 1257 O LYS A 78 -17.673 -2.723 -14.405 1.00 0.00 O ATOM 1258 CB LYS A 78 -15.399 -0.887 -12.719 1.00 0.00 C ATOM 1259 CG LYS A 78 -15.650 -1.791 -11.505 1.00 0.00 C ATOM 1260 CD LYS A 78 -15.676 -3.270 -11.867 1.00 0.00 C ATOM 1261 CE LYS A 78 -14.300 -3.770 -12.281 1.00 0.00 C ATOM 1262 NZ LYS A 78 -14.329 -5.202 -12.659 1.00 0.00 N ATOM 0 H LYS A 78 -18.087 -1.245 -12.298 1.00 0.00 H new ATOM 0 HA LYS A 78 -16.415 0.171 -14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.568 -1.298 -13.293 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.086 0.094 -12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.872 -1.617 -10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -16.599 -1.518 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.032 -3.848 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.383 -3.434 -12.680 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.936 -3.179 -13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.598 -3.624 -11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.361 -5.529 -12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.733 -5.759 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.913 -5.325 -13.510 1.00 0.00 H new ATOM 1276 N SER A 79 -15.906 -1.960 -15.613 1.00 0.00 N ATOM 1277 CA SER A 79 -15.942 -3.005 -16.643 1.00 0.00 C ATOM 1278 C SER A 79 -17.346 -3.155 -17.242 1.00 0.00 C ATOM 1279 O SER A 79 -18.046 -4.128 -16.910 1.00 0.00 O ATOM 1280 CB SER A 79 -15.387 -4.356 -16.115 1.00 0.00 C ATOM 1281 OG SER A 79 -15.976 -4.732 -14.875 1.00 0.00 O ATOM 1282 OXT SER A 79 -17.747 -2.273 -18.030 1.00 0.00 O ATOM 0 H SER A 79 -15.149 -1.288 -15.741 1.00 0.00 H new ATOM 0 HA SER A 79 -15.281 -2.688 -17.450 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.571 -5.136 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.306 -4.280 -15.994 1.00 0.00 H new ATOM 0 HG SER A 79 -16.845 -4.290 -14.778 1.00 0.00 H new TER 1288 SER A 79