USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 784 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 77 TYR OH : rot 180:sc= 0.531 USER MOD Set 1.2: A 92 TYR OH : rot -154:sc= 1.92 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= -0.0907 USER MOD Single : A 1 ARG N :NH3+ 155:sc= -0.462 (180deg=-1.65!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0979 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.4!) USER MOD Single : A 9 THR OG1 : rot -159:sc= -5.32! USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -7.97! C(o=-8!,f=-6.2!) USER MOD Single : A 15 CYS SG : rot 90:sc= 1.28 USER MOD Single : A 18 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.52) USER MOD Single : A 34 SER OG : rot 180:sc=-0.00671 USER MOD Single : A 36 SER OG : rot -70:sc= -0.191 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= 0.426 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.0984 (180deg=-0.488) USER MOD Single : A 48 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.723 X(o=-0.72,f=-0.27) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.085) USER MOD Single : A 58 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.72) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 15:sc= -0.76 USER MOD Single : A 64 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.38) USER MOD Single : A 68 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.65) USER MOD Single : A 69 THR OG1 : rot 50:sc= -2.11 USER MOD Single : A 70 MET CE :methyl 173:sc= -3.3 (180deg=-3.62!) USER MOD Single : A 76 HIS : no HD1:sc= -0.492 K(o=-0.49,f=0.1) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= -0.441 (180deg=-1.18) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0096 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=-0.056) USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= 0.00717 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.745 4.772 13.901 1.00 0.00 N ATOM 2 CA ARG A 1 7.918 6.231 13.673 1.00 0.00 C ATOM 3 C ARG A 1 9.362 6.568 13.311 1.00 0.00 C ATOM 4 O ARG A 1 9.811 7.698 13.501 1.00 0.00 O ATOM 5 CB ARG A 1 7.507 6.979 14.944 1.00 0.00 C ATOM 6 CG ARG A 1 8.188 6.466 16.203 1.00 0.00 C ATOM 7 CD ARG A 1 9.483 7.212 16.479 1.00 0.00 C ATOM 8 NE ARG A 1 10.165 6.706 17.668 1.00 0.00 N ATOM 9 CZ ARG A 1 10.911 5.605 17.683 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.074 4.890 16.576 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.497 5.217 18.807 1.00 0.00 N ATOM 0 H1 ARG A 1 6.931 4.613 14.529 1.00 0.00 H new ATOM 0 H2 ARG A 1 7.579 4.296 12.991 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.604 4.385 14.343 1.00 0.00 H new ATOM 0 HA ARG A 1 7.289 6.536 12.837 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.738 8.037 14.823 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.427 6.900 15.068 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.515 6.577 17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 1 8.396 5.401 16.098 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.144 7.122 15.617 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.269 8.273 16.608 1.00 0.00 H new ATOM 0 HE ARG A 1 10.063 7.228 18.538 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.626 5.184 15.708 1.00 0.00 H new ATOM 0 HH12 ARG A 1 11.647 4.047 16.593 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.376 5.763 19.660 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.069 4.373 18.819 1.00 0.00 H new ATOM 27 N GLU A 2 10.085 5.581 12.789 1.00 0.00 N ATOM 28 CA GLU A 2 11.477 5.776 12.402 1.00 0.00 C ATOM 29 C GLU A 2 11.615 5.865 10.886 1.00 0.00 C ATOM 30 O GLU A 2 12.444 6.616 10.371 1.00 0.00 O ATOM 31 CB GLU A 2 12.340 4.633 12.937 1.00 0.00 C ATOM 32 CG GLU A 2 13.789 5.025 13.177 1.00 0.00 C ATOM 33 CD GLU A 2 14.209 4.850 14.624 1.00 0.00 C ATOM 34 OE1 GLU A 2 14.514 3.706 15.020 1.00 0.00 O ATOM 35 OE2 GLU A 2 14.232 5.859 15.361 1.00 0.00 O ATOM 0 H GLU A 2 9.729 4.639 12.625 1.00 0.00 H new ATOM 0 HA GLU A 2 11.819 6.716 12.835 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.911 4.271 13.871 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.309 3.804 12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.435 4.421 12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.933 6.065 12.884 1.00 0.00 H new ATOM 42 N TRP A 3 10.801 5.091 10.177 1.00 0.00 N ATOM 43 CA TRP A 3 10.836 5.082 8.719 1.00 0.00 C ATOM 44 C TRP A 3 9.797 6.040 8.147 1.00 0.00 C ATOM 45 O TRP A 3 10.143 7.082 7.590 1.00 0.00 O ATOM 46 CB TRP A 3 10.599 3.667 8.177 1.00 0.00 C ATOM 47 CG TRP A 3 10.841 2.585 9.187 1.00 0.00 C ATOM 48 CD1 TRP A 3 12.014 1.928 9.422 1.00 0.00 C ATOM 49 CD2 TRP A 3 9.883 2.038 10.100 1.00 0.00 C ATOM 50 NE1 TRP A 3 11.843 1.004 10.424 1.00 0.00 N ATOM 51 CE2 TRP A 3 10.544 1.053 10.857 1.00 0.00 C ATOM 52 CE3 TRP A 3 8.531 2.287 10.350 1.00 0.00 C ATOM 53 CZ2 TRP A 3 9.897 0.318 11.847 1.00 0.00 C ATOM 54 CZ3 TRP A 3 7.890 1.557 11.333 1.00 0.00 C ATOM 55 CH2 TRP A 3 8.573 0.582 12.071 1.00 0.00 C ATOM 0 H TRP A 3 10.110 4.463 10.587 1.00 0.00 H new ATOM 0 HA TRP A 3 11.826 5.414 8.407 1.00 0.00 H new ATOM 0 HB2 TRP A 3 9.573 3.593 7.817 1.00 0.00 H new ATOM 0 HB3 TRP A 3 11.250 3.503 7.319 1.00 0.00 H new ATOM 0 HD1 TRP A 3 12.941 2.108 8.897 1.00 0.00 H new ATOM 0 HE1 TRP A 3 12.566 0.382 10.787 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.996 3.036 9.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.422 -0.434 12.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 6.845 1.741 11.535 1.00 0.00 H new ATOM 0 HH2 TRP A 3 8.044 0.027 12.832 1.00 0.00 H new ATOM 66 N TYR A 4 8.523 5.681 8.279 1.00 0.00 N ATOM 67 CA TYR A 4 7.445 6.516 7.765 1.00 0.00 C ATOM 68 C TYR A 4 6.412 6.837 8.844 1.00 0.00 C ATOM 69 O TYR A 4 6.155 6.030 9.738 1.00 0.00 O ATOM 70 CB TYR A 4 6.769 5.830 6.577 1.00 0.00 C ATOM 71 CG TYR A 4 5.954 4.612 6.951 1.00 0.00 C ATOM 72 CD1 TYR A 4 6.566 3.392 7.206 1.00 0.00 C ATOM 73 CD2 TYR A 4 4.570 4.684 7.045 1.00 0.00 C ATOM 74 CE1 TYR A 4 5.822 2.278 7.545 1.00 0.00 C ATOM 75 CE2 TYR A 4 3.819 3.575 7.383 1.00 0.00 C ATOM 76 CZ TYR A 4 4.449 2.374 7.631 1.00 0.00 C ATOM 77 OH TYR A 4 3.704 1.267 7.966 1.00 0.00 O ATOM 0 H TYR A 4 8.214 4.822 8.735 1.00 0.00 H new ATOM 0 HA TYR A 4 7.884 7.458 7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.120 6.549 6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.533 5.536 5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.641 3.312 7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.073 5.623 6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 4 6.313 1.337 7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.744 3.648 7.453 1.00 0.00 H new ATOM 0 HH TYR A 4 2.754 1.505 7.984 1.00 0.00 H new ATOM 87 N TYR A 5 5.821 8.024 8.739 1.00 0.00 N ATOM 88 CA TYR A 5 4.807 8.475 9.686 1.00 0.00 C ATOM 89 C TYR A 5 3.413 8.053 9.215 1.00 0.00 C ATOM 90 O TYR A 5 2.917 6.989 9.583 1.00 0.00 O ATOM 91 CB TYR A 5 4.885 9.999 9.836 1.00 0.00 C ATOM 92 CG TYR A 5 5.389 10.454 11.186 1.00 0.00 C ATOM 93 CD1 TYR A 5 6.513 9.874 11.760 1.00 0.00 C ATOM 94 CD2 TYR A 5 4.744 11.467 11.885 1.00 0.00 C ATOM 95 CE1 TYR A 5 6.980 10.289 12.992 1.00 0.00 C ATOM 96 CE2 TYR A 5 5.205 11.888 13.117 1.00 0.00 C ATOM 97 CZ TYR A 5 6.323 11.296 13.666 1.00 0.00 C ATOM 98 OH TYR A 5 6.786 11.714 14.893 1.00 0.00 O ATOM 0 H TYR A 5 6.030 8.696 8.000 1.00 0.00 H new ATOM 0 HA TYR A 5 4.993 8.013 10.656 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.539 10.398 9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.895 10.423 9.667 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.031 9.085 11.234 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.868 11.933 11.458 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.855 9.827 13.425 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.693 12.677 13.648 1.00 0.00 H new ATOM 0 HH TYR A 5 6.211 12.431 15.233 1.00 0.00 H new ATOM 108 N GLY A 6 2.796 8.891 8.385 1.00 0.00 N ATOM 109 CA GLY A 6 1.478 8.596 7.852 1.00 0.00 C ATOM 110 C GLY A 6 1.409 8.850 6.362 1.00 0.00 C ATOM 111 O GLY A 6 0.550 8.313 5.662 1.00 0.00 O ATOM 0 H GLY A 6 3.191 9.777 8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.227 7.555 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.734 9.209 8.361 1.00 0.00 H new ATOM 115 N ASN A 7 2.341 9.660 5.886 1.00 0.00 N ATOM 116 CA ASN A 7 2.440 9.999 4.471 1.00 0.00 C ATOM 117 C ASN A 7 3.892 10.291 4.125 1.00 0.00 C ATOM 118 O ASN A 7 4.441 11.315 4.531 1.00 0.00 O ATOM 119 CB ASN A 7 1.568 11.214 4.148 1.00 0.00 C ATOM 120 CG ASN A 7 1.965 12.439 4.950 1.00 0.00 C ATOM 121 OD1 ASN A 7 2.658 12.333 5.962 1.00 0.00 O ATOM 122 ND2 ASN A 7 1.528 13.610 4.501 1.00 0.00 N ATOM 0 H ASN A 7 3.052 10.103 6.468 1.00 0.00 H new ATOM 0 HA ASN A 7 2.086 9.157 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.643 11.439 3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.524 10.973 4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.765 14.468 5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.956 13.652 3.658 1.00 0.00 H new ATOM 129 N VAL A 8 4.526 9.371 3.406 1.00 0.00 N ATOM 130 CA VAL A 8 5.932 9.534 3.056 1.00 0.00 C ATOM 131 C VAL A 8 6.284 8.935 1.700 1.00 0.00 C ATOM 132 O VAL A 8 7.190 9.418 1.021 1.00 0.00 O ATOM 133 CB VAL A 8 6.826 8.906 4.137 1.00 0.00 C ATOM 134 CG1 VAL A 8 8.162 9.626 4.223 1.00 0.00 C ATOM 135 CG2 VAL A 8 6.111 8.916 5.479 1.00 0.00 C ATOM 0 H VAL A 8 4.095 8.515 3.058 1.00 0.00 H new ATOM 0 HA VAL A 8 6.110 10.608 2.993 1.00 0.00 H new ATOM 0 HB VAL A 8 7.028 7.871 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.776 9.163 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.674 9.559 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.995 10.674 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.754 8.469 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.879 9.943 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.187 8.343 5.403 1.00 0.00 H new ATOM 145 N THR A 9 5.571 7.887 1.316 1.00 0.00 N ATOM 146 CA THR A 9 5.802 7.210 0.033 1.00 0.00 C ATOM 147 C THR A 9 6.003 8.245 -1.088 1.00 0.00 C ATOM 148 O THR A 9 5.831 9.441 -0.866 1.00 0.00 O ATOM 149 CB THR A 9 4.636 6.242 -0.265 1.00 0.00 C ATOM 150 OG1 THR A 9 4.789 5.040 0.460 1.00 0.00 O ATOM 151 CG2 THR A 9 4.469 5.865 -1.726 1.00 0.00 C ATOM 0 H THR A 9 4.821 7.479 1.874 1.00 0.00 H new ATOM 0 HA THR A 9 6.715 6.618 0.089 1.00 0.00 H new ATOM 0 HB THR A 9 3.749 6.799 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.264 4.331 0.033 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.625 5.183 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.285 6.764 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.376 5.377 -2.082 1.00 0.00 H new ATOM 159 N ARG A 10 6.404 7.790 -2.273 1.00 0.00 N ATOM 160 CA ARG A 10 6.676 8.682 -3.402 1.00 0.00 C ATOM 161 C ARG A 10 8.114 9.171 -3.281 1.00 0.00 C ATOM 162 O ARG A 10 8.923 9.017 -4.196 1.00 0.00 O ATOM 163 CB ARG A 10 5.670 9.847 -3.449 1.00 0.00 C ATOM 164 CG ARG A 10 6.197 11.188 -2.947 1.00 0.00 C ATOM 165 CD ARG A 10 5.094 12.232 -2.904 1.00 0.00 C ATOM 166 NE ARG A 10 5.088 13.073 -4.098 1.00 0.00 N ATOM 167 CZ ARG A 10 4.472 14.250 -4.172 1.00 0.00 C ATOM 168 NH1 ARG A 10 3.810 14.727 -3.125 1.00 0.00 N ATOM 169 NH2 ARG A 10 4.518 14.952 -5.296 1.00 0.00 N ATOM 0 H ARG A 10 6.549 6.802 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 10 6.556 8.145 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.332 9.971 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.797 9.574 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.623 11.064 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.001 11.532 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.129 11.735 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.222 12.858 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 10 5.585 12.738 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.772 14.191 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.340 15.630 -3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.025 14.590 -6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.046 15.854 -5.353 1.00 0.00 H new ATOM 183 N HIS A 11 8.428 9.697 -2.106 1.00 0.00 N ATOM 184 CA HIS A 11 9.770 10.148 -1.786 1.00 0.00 C ATOM 185 C HIS A 11 10.407 9.084 -0.901 1.00 0.00 C ATOM 186 O HIS A 11 11.570 8.705 -1.067 1.00 0.00 O ATOM 187 CB HIS A 11 9.731 11.495 -1.060 1.00 0.00 C ATOM 188 CG HIS A 11 10.659 12.516 -1.640 1.00 0.00 C ATOM 189 ND1 HIS A 11 11.962 12.674 -1.218 1.00 0.00 N ATOM 190 CD2 HIS A 11 10.466 13.438 -2.614 1.00 0.00 C ATOM 191 CE1 HIS A 11 12.530 13.648 -1.905 1.00 0.00 C ATOM 192 NE2 HIS A 11 11.644 14.128 -2.759 1.00 0.00 N ATOM 0 H HIS A 11 7.757 9.822 -1.348 1.00 0.00 H new ATOM 0 HA HIS A 11 10.351 10.289 -2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.713 11.884 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.984 11.340 -0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 11 9.556 13.600 -3.172 1.00 0.00 H new ATOM 0 HE1 HIS A 11 13.547 13.994 -1.788 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.808 14.888 -3.419 1.00 0.00 H new ATOM 201 N GLN A 12 9.601 8.572 0.022 1.00 0.00 N ATOM 202 CA GLN A 12 10.041 7.520 0.914 1.00 0.00 C ATOM 203 C GLN A 12 10.026 6.193 0.166 1.00 0.00 C ATOM 204 O GLN A 12 10.893 5.346 0.373 1.00 0.00 O ATOM 205 CB GLN A 12 9.158 7.471 2.173 1.00 0.00 C ATOM 206 CG GLN A 12 8.134 6.343 2.199 1.00 0.00 C ATOM 207 CD GLN A 12 8.546 5.204 3.112 1.00 0.00 C ATOM 208 OE1 GLN A 12 9.730 4.886 3.231 1.00 0.00 O ATOM 209 NE2 GLN A 12 7.569 4.583 3.760 1.00 0.00 N ATOM 0 H GLN A 12 8.637 8.873 0.168 1.00 0.00 H new ATOM 0 HA GLN A 12 11.060 7.722 1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.803 7.376 3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.632 8.421 2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.172 6.737 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.994 5.961 1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.602 4.880 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.785 3.808 4.387 1.00 0.00 H new ATOM 218 N ALA A 13 9.035 6.020 -0.719 1.00 0.00 N ATOM 219 CA ALA A 13 8.932 4.793 -1.499 1.00 0.00 C ATOM 220 C ALA A 13 10.262 4.467 -2.162 1.00 0.00 C ATOM 221 O ALA A 13 10.620 3.302 -2.308 1.00 0.00 O ATOM 222 CB ALA A 13 7.820 4.906 -2.518 1.00 0.00 C ATOM 0 H ALA A 13 8.305 6.708 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 13 8.687 3.971 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.757 3.981 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.874 5.081 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.027 5.738 -3.192 1.00 0.00 H new ATOM 228 N GLU A 14 11.021 5.497 -2.510 1.00 0.00 N ATOM 229 CA GLU A 14 12.338 5.276 -3.090 1.00 0.00 C ATOM 230 C GLU A 14 13.308 5.067 -1.947 1.00 0.00 C ATOM 231 O GLU A 14 14.187 4.215 -2.001 1.00 0.00 O ATOM 232 CB GLU A 14 12.808 6.427 -3.986 1.00 0.00 C ATOM 233 CG GLU A 14 12.050 7.725 -3.793 1.00 0.00 C ATOM 234 CD GLU A 14 12.255 8.696 -4.939 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.236 9.467 -4.895 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.434 8.686 -5.880 1.00 0.00 O ATOM 0 H GLU A 14 10.755 6.476 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 14 12.289 4.402 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.866 6.608 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.717 6.120 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.987 7.509 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.371 8.194 -2.863 1.00 0.00 H new ATOM 243 N CYS A 15 13.109 5.826 -0.879 1.00 0.00 N ATOM 244 CA CYS A 15 13.945 5.675 0.300 1.00 0.00 C ATOM 245 C CYS A 15 13.717 4.298 0.936 1.00 0.00 C ATOM 246 O CYS A 15 14.435 3.907 1.856 1.00 0.00 O ATOM 247 CB CYS A 15 13.645 6.775 1.320 1.00 0.00 C ATOM 248 SG CYS A 15 13.887 8.452 0.691 1.00 0.00 S ATOM 0 H CYS A 15 12.387 6.542 -0.805 1.00 0.00 H new ATOM 0 HA CYS A 15 14.988 5.760 -0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 15 12.614 6.671 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.282 6.630 2.192 1.00 0.00 H new ATOM 0 HG CYS A 15 12.778 8.884 0.169 1.00 0.00 H new ATOM 254 N ALA A 16 12.704 3.565 0.447 1.00 0.00 N ATOM 255 CA ALA A 16 12.389 2.244 0.984 1.00 0.00 C ATOM 256 C ALA A 16 12.510 1.145 -0.071 1.00 0.00 C ATOM 257 O ALA A 16 12.910 0.023 0.237 1.00 0.00 O ATOM 258 CB ALA A 16 10.988 2.248 1.574 1.00 0.00 C ATOM 0 H ALA A 16 12.096 3.868 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 16 13.118 2.025 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.758 1.260 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.933 2.985 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.267 2.502 0.797 1.00 0.00 H new ATOM 264 N LEU A 17 12.180 1.472 -1.313 1.00 0.00 N ATOM 265 CA LEU A 17 12.274 0.507 -2.406 1.00 0.00 C ATOM 266 C LEU A 17 13.370 0.917 -3.385 1.00 0.00 C ATOM 267 O LEU A 17 13.704 0.176 -4.308 1.00 0.00 O ATOM 268 CB LEU A 17 10.944 0.387 -3.159 1.00 0.00 C ATOM 269 CG LEU A 17 9.672 0.571 -2.326 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.472 0.038 -3.085 1.00 0.00 C ATOM 271 CD2 LEU A 17 9.789 -0.121 -0.979 1.00 0.00 C ATOM 0 H LEU A 17 11.845 2.395 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 17 12.517 -0.461 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.937 1.125 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.905 -0.595 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 17 9.538 1.637 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.572 0.173 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.366 0.580 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.614 -1.023 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.870 0.028 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.952 -1.188 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.629 0.299 -0.426 1.00 0.00 H new ATOM 283 N ASN A 18 13.919 2.110 -3.170 1.00 0.00 N ATOM 284 CA ASN A 18 14.981 2.652 -4.016 1.00 0.00 C ATOM 285 C ASN A 18 14.505 2.915 -5.443 1.00 0.00 C ATOM 286 O ASN A 18 15.216 3.530 -6.238 1.00 0.00 O ATOM 287 CB ASN A 18 16.159 1.691 -4.009 1.00 0.00 C ATOM 288 CG ASN A 18 17.207 2.016 -5.059 1.00 0.00 C ATOM 289 OD1 ASN A 18 18.187 2.707 -4.781 1.00 0.00 O ATOM 290 ND2 ASN A 18 17.003 1.517 -6.273 1.00 0.00 N ATOM 0 H ASN A 18 13.642 2.727 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 18 15.286 3.616 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.625 1.706 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.793 0.677 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.673 1.702 -7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.176 0.949 -6.459 1.00 0.00 H new ATOM 297 N GLU A 19 13.303 2.457 -5.762 1.00 0.00 N ATOM 298 CA GLU A 19 12.736 2.651 -7.092 1.00 0.00 C ATOM 299 C GLU A 19 11.431 1.879 -7.242 1.00 0.00 C ATOM 300 O GLU A 19 10.369 2.473 -7.429 1.00 0.00 O ATOM 301 CB GLU A 19 13.727 2.212 -8.177 1.00 0.00 C ATOM 302 CG GLU A 19 13.992 3.280 -9.226 1.00 0.00 C ATOM 303 CD GLU A 19 14.393 4.610 -8.617 1.00 0.00 C ATOM 304 OE1 GLU A 19 13.491 5.418 -8.311 1.00 0.00 O ATOM 305 OE2 GLU A 19 15.608 4.843 -8.446 1.00 0.00 O ATOM 0 H GLU A 19 12.699 1.947 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 19 12.531 3.715 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.670 1.935 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.342 1.319 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.782 2.938 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.097 3.418 -9.833 1.00 0.00 H new ATOM 312 N ARG A 20 11.524 0.550 -7.163 1.00 0.00 N ATOM 313 CA ARG A 20 10.362 -0.329 -7.295 1.00 0.00 C ATOM 314 C ARG A 20 10.804 -1.727 -7.710 1.00 0.00 C ATOM 315 O ARG A 20 11.024 -1.990 -8.892 1.00 0.00 O ATOM 316 CB ARG A 20 9.367 0.214 -8.329 1.00 0.00 C ATOM 317 CG ARG A 20 10.027 0.755 -9.589 1.00 0.00 C ATOM 318 CD ARG A 20 9.724 -0.111 -10.802 1.00 0.00 C ATOM 319 NE ARG A 20 10.675 0.118 -11.887 1.00 0.00 N ATOM 320 CZ ARG A 20 11.966 -0.199 -11.822 1.00 0.00 C ATOM 321 NH1 ARG A 20 12.463 -0.770 -10.732 1.00 0.00 N ATOM 322 NH2 ARG A 20 12.763 0.055 -12.851 1.00 0.00 N ATOM 0 H ARG A 20 12.402 0.056 -7.007 1.00 0.00 H new ATOM 0 HA ARG A 20 9.868 -0.371 -6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.674 -0.581 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.776 1.007 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.680 1.772 -9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.106 0.808 -9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.749 -1.162 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.714 0.099 -11.154 1.00 0.00 H new ATOM 0 HE ARG A 20 10.329 0.546 -12.746 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.855 -0.968 -9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.453 -1.010 -10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.387 0.493 -13.692 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.752 -0.188 -12.802 1.00 0.00 H new ATOM 336 N GLY A 21 10.938 -2.619 -6.737 1.00 0.00 N ATOM 337 CA GLY A 21 11.359 -3.973 -7.039 1.00 0.00 C ATOM 338 C GLY A 21 12.351 -4.515 -6.030 1.00 0.00 C ATOM 339 O GLY A 21 13.395 -5.047 -6.408 1.00 0.00 O ATOM 0 H GLY A 21 10.764 -2.431 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.485 -4.623 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.807 -3.997 -8.032 1.00 0.00 H new ATOM 343 N VAL A 22 12.033 -4.383 -4.745 1.00 0.00 N ATOM 344 CA VAL A 22 12.919 -4.869 -3.695 1.00 0.00 C ATOM 345 C VAL A 22 12.231 -5.936 -2.846 1.00 0.00 C ATOM 346 O VAL A 22 11.200 -5.674 -2.231 1.00 0.00 O ATOM 347 CB VAL A 22 13.370 -3.717 -2.777 1.00 0.00 C ATOM 348 CG1 VAL A 22 14.567 -4.135 -1.937 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.685 -2.471 -3.589 1.00 0.00 C ATOM 0 H VAL A 22 11.175 -3.947 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 22 13.790 -5.304 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 22 12.549 -3.479 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.869 -3.307 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.297 -4.992 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.394 -4.407 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.001 -1.671 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.485 -2.690 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.795 -2.157 -4.134 1.00 0.00 H new ATOM 359 N GLU A 23 12.825 -7.133 -2.814 1.00 0.00 N ATOM 360 CA GLU A 23 12.293 -8.264 -2.040 1.00 0.00 C ATOM 361 C GLU A 23 10.758 -8.296 -2.049 1.00 0.00 C ATOM 362 O GLU A 23 10.146 -8.928 -2.909 1.00 0.00 O ATOM 363 CB GLU A 23 12.816 -8.225 -0.596 1.00 0.00 C ATOM 364 CG GLU A 23 13.265 -6.846 -0.133 1.00 0.00 C ATOM 365 CD GLU A 23 13.976 -6.884 1.206 1.00 0.00 C ATOM 366 OE1 GLU A 23 13.284 -6.954 2.244 1.00 0.00 O ATOM 367 OE2 GLU A 23 15.224 -6.842 1.217 1.00 0.00 O ATOM 0 H GLU A 23 13.684 -7.347 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 23 12.644 -9.177 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.033 -8.583 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.653 -8.917 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.930 -6.414 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.397 -6.190 -0.061 1.00 0.00 H new ATOM 374 N GLY A 24 10.150 -7.610 -1.086 1.00 0.00 N ATOM 375 CA GLY A 24 8.703 -7.559 -0.989 1.00 0.00 C ATOM 376 C GLY A 24 8.263 -6.457 -0.050 1.00 0.00 C ATOM 377 O GLY A 24 7.619 -6.711 0.967 1.00 0.00 O ATOM 0 H GLY A 24 10.641 -7.083 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.274 -7.393 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.324 -8.517 -0.634 1.00 0.00 H new ATOM 381 N ASP A 25 8.653 -5.233 -0.381 1.00 0.00 N ATOM 382 CA ASP A 25 8.350 -4.075 0.437 1.00 0.00 C ATOM 383 C ASP A 25 7.115 -3.318 -0.053 1.00 0.00 C ATOM 384 O ASP A 25 6.965 -3.049 -1.245 1.00 0.00 O ATOM 385 CB ASP A 25 9.564 -3.137 0.454 1.00 0.00 C ATOM 386 CG ASP A 25 10.597 -3.463 -0.608 1.00 0.00 C ATOM 387 OD1 ASP A 25 10.412 -3.037 -1.767 1.00 0.00 O ATOM 388 OD2 ASP A 25 11.589 -4.147 -0.279 1.00 0.00 O ATOM 0 H ASP A 25 9.187 -5.019 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 25 8.128 -4.430 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.222 -2.111 0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.036 -3.185 1.435 1.00 0.00 H new ATOM 393 N PHE A 26 6.253 -2.948 0.894 1.00 0.00 N ATOM 394 CA PHE A 26 5.044 -2.184 0.593 1.00 0.00 C ATOM 395 C PHE A 26 4.927 -1.019 1.548 1.00 0.00 C ATOM 396 O PHE A 26 5.074 -1.175 2.760 1.00 0.00 O ATOM 397 CB PHE A 26 3.781 -3.039 0.711 1.00 0.00 C ATOM 398 CG PHE A 26 2.784 -2.839 -0.411 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.719 -1.640 -1.098 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.912 -3.857 -0.778 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.809 -1.455 -2.124 1.00 0.00 C ATOM 402 CE2 PHE A 26 1.001 -3.678 -1.803 1.00 0.00 C ATOM 403 CZ PHE A 26 0.950 -2.475 -2.476 1.00 0.00 C ATOM 0 H PHE A 26 6.372 -3.167 1.883 1.00 0.00 H new ATOM 0 HA PHE A 26 5.129 -1.835 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.070 -4.090 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.292 -2.815 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.389 -0.836 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.946 -4.801 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.771 -0.512 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.330 -4.479 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.239 -2.332 -3.277 1.00 0.00 H new ATOM 413 N LEU A 27 4.651 0.142 1.001 1.00 0.00 N ATOM 414 CA LEU A 27 4.500 1.335 1.823 1.00 0.00 C ATOM 415 C LEU A 27 3.422 2.253 1.267 1.00 0.00 C ATOM 416 O LEU A 27 3.447 2.626 0.092 1.00 0.00 O ATOM 417 CB LEU A 27 5.831 2.074 1.952 1.00 0.00 C ATOM 418 CG LEU A 27 6.431 2.579 0.642 1.00 0.00 C ATOM 419 CD1 LEU A 27 7.061 3.943 0.852 1.00 0.00 C ATOM 420 CD2 LEU A 27 7.458 1.592 0.107 1.00 0.00 C ATOM 0 H LEU A 27 4.526 0.293 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 27 4.187 1.019 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.691 2.924 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.551 1.409 2.429 1.00 0.00 H new ATOM 0 HG LEU A 27 5.634 2.671 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.487 4.296 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.301 4.646 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.849 3.868 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.874 1.970 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.258 1.468 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.979 0.630 -0.073 1.00 0.00 H new ATOM 432 N ILE A 28 2.461 2.595 2.122 1.00 0.00 N ATOM 433 CA ILE A 28 1.351 3.452 1.730 1.00 0.00 C ATOM 434 C ILE A 28 1.431 4.809 2.427 1.00 0.00 C ATOM 435 O ILE A 28 1.827 4.900 3.589 1.00 0.00 O ATOM 436 CB ILE A 28 -0.004 2.777 2.039 1.00 0.00 C ATOM 437 CG1 ILE A 28 -1.173 3.649 1.586 1.00 0.00 C ATOM 438 CG2 ILE A 28 -0.125 2.447 3.510 1.00 0.00 C ATOM 439 CD1 ILE A 28 -2.518 2.991 1.806 1.00 0.00 C ATOM 0 H ILE A 28 2.431 2.289 3.094 1.00 0.00 H new ATOM 0 HA ILE A 28 1.423 3.611 0.654 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.041 1.844 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.144 4.595 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.057 3.882 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.088 1.973 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.677 1.767 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.051 3.363 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.310 3.658 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.563 2.058 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.652 2.782 2.867 1.00 0.00 H new ATOM 451 N ARG A 29 1.074 5.862 1.697 1.00 0.00 N ATOM 452 CA ARG A 29 1.124 7.221 2.227 1.00 0.00 C ATOM 453 C ARG A 29 -0.208 7.940 2.059 1.00 0.00 C ATOM 454 O ARG A 29 -1.010 7.593 1.193 1.00 0.00 O ATOM 455 CB ARG A 29 2.218 8.016 1.517 1.00 0.00 C ATOM 456 CG ARG A 29 2.010 8.120 0.012 1.00 0.00 C ATOM 457 CD ARG A 29 3.195 8.795 -0.673 1.00 0.00 C ATOM 458 NE ARG A 29 2.814 10.053 -1.310 1.00 0.00 N ATOM 459 CZ ARG A 29 2.188 10.131 -2.483 1.00 0.00 C ATOM 460 NH1 ARG A 29 1.873 9.027 -3.149 1.00 0.00 N ATOM 461 NH2 ARG A 29 1.874 11.316 -2.990 1.00 0.00 N ATOM 0 H ARG A 29 0.746 5.799 0.733 1.00 0.00 H new ATOM 0 HA ARG A 29 1.343 7.151 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.261 9.019 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.182 7.547 1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.867 7.124 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.101 8.685 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.979 8.983 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.613 8.122 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 29 3.041 10.923 -0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.110 8.113 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.394 9.092 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.112 12.168 -2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.395 11.376 -3.888 1.00 0.00 H new ATOM 475 N ASP A 30 -0.430 8.955 2.889 1.00 0.00 N ATOM 476 CA ASP A 30 -1.660 9.738 2.824 1.00 0.00 C ATOM 477 C ASP A 30 -1.608 10.722 1.658 1.00 0.00 C ATOM 478 O ASP A 30 -0.536 11.012 1.127 1.00 0.00 O ATOM 479 CB ASP A 30 -1.881 10.496 4.134 1.00 0.00 C ATOM 480 CG ASP A 30 -3.322 10.436 4.601 1.00 0.00 C ATOM 481 OD1 ASP A 30 -4.227 10.488 3.741 1.00 0.00 O ATOM 482 OD2 ASP A 30 -3.546 10.335 5.825 1.00 0.00 O ATOM 0 H ASP A 30 0.224 9.254 3.613 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.492 9.052 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.234 10.078 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.588 11.538 4.002 1.00 0.00 H new ATOM 487 N SER A 31 -2.770 11.233 1.265 1.00 0.00 N ATOM 488 CA SER A 31 -2.851 12.186 0.162 1.00 0.00 C ATOM 489 C SER A 31 -3.551 13.468 0.602 1.00 0.00 C ATOM 490 O SER A 31 -4.777 13.513 0.711 1.00 0.00 O ATOM 491 CB SER A 31 -3.589 11.564 -1.025 1.00 0.00 C ATOM 492 OG SER A 31 -2.915 11.836 -2.242 1.00 0.00 O ATOM 0 H SER A 31 -3.667 11.004 1.692 1.00 0.00 H new ATOM 0 HA SER A 31 -1.836 12.437 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.670 10.486 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.605 11.956 -1.072 1.00 0.00 H new ATOM 0 HG SER A 31 -3.405 11.427 -2.986 1.00 0.00 H new ATOM 498 N GLU A 32 -2.762 14.507 0.856 1.00 0.00 N ATOM 499 CA GLU A 32 -3.295 15.797 1.290 1.00 0.00 C ATOM 500 C GLU A 32 -4.475 16.235 0.424 1.00 0.00 C ATOM 501 O GLU A 32 -5.365 16.948 0.889 1.00 0.00 O ATOM 502 CB GLU A 32 -2.200 16.864 1.247 1.00 0.00 C ATOM 503 CG GLU A 32 -0.998 16.539 2.119 1.00 0.00 C ATOM 504 CD GLU A 32 -1.093 17.160 3.499 1.00 0.00 C ATOM 505 OE1 GLU A 32 -0.651 18.317 3.661 1.00 0.00 O ATOM 506 OE2 GLU A 32 -1.609 16.489 4.417 1.00 0.00 O ATOM 0 H GLU A 32 -1.746 14.482 0.769 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.649 15.680 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.867 16.990 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.621 17.818 1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.907 15.457 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.091 16.892 1.628 1.00 0.00 H new ATOM 513 N SER A 33 -4.476 15.808 -0.836 1.00 0.00 N ATOM 514 CA SER A 33 -5.546 16.162 -1.765 1.00 0.00 C ATOM 515 C SER A 33 -6.918 15.851 -1.172 1.00 0.00 C ATOM 516 O SER A 33 -7.858 16.634 -1.314 1.00 0.00 O ATOM 517 CB SER A 33 -5.372 15.415 -3.089 1.00 0.00 C ATOM 518 OG SER A 33 -5.860 14.088 -2.995 1.00 0.00 O ATOM 0 H SER A 33 -3.748 15.217 -1.237 1.00 0.00 H new ATOM 0 HA SER A 33 -5.486 17.235 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.901 15.945 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.318 15.399 -3.365 1.00 0.00 H new ATOM 0 HG SER A 33 -5.739 13.633 -3.855 1.00 0.00 H new ATOM 524 N SER A 34 -7.027 14.705 -0.510 1.00 0.00 N ATOM 525 CA SER A 34 -8.287 14.295 0.101 1.00 0.00 C ATOM 526 C SER A 34 -8.067 13.814 1.534 1.00 0.00 C ATOM 527 O SER A 34 -6.943 13.505 1.930 1.00 0.00 O ATOM 528 CB SER A 34 -8.944 13.190 -0.730 1.00 0.00 C ATOM 529 OG SER A 34 -10.126 13.658 -1.357 1.00 0.00 O ATOM 0 H SER A 34 -6.260 14.044 -0.382 1.00 0.00 H new ATOM 0 HA SER A 34 -8.949 15.160 0.128 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.244 12.834 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.180 12.340 -0.089 1.00 0.00 H new ATOM 0 HG SER A 34 -10.526 12.934 -1.883 1.00 0.00 H new ATOM 535 N PRO A 35 -9.145 13.748 2.335 1.00 0.00 N ATOM 536 CA PRO A 35 -9.066 13.307 3.728 1.00 0.00 C ATOM 537 C PRO A 35 -8.936 11.792 3.857 1.00 0.00 C ATOM 538 O PRO A 35 -8.495 11.286 4.889 1.00 0.00 O ATOM 539 CB PRO A 35 -10.394 13.781 4.315 1.00 0.00 C ATOM 540 CG PRO A 35 -11.340 13.763 3.165 1.00 0.00 C ATOM 541 CD PRO A 35 -10.524 14.103 1.944 1.00 0.00 C ATOM 0 HA PRO A 35 -8.187 13.706 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.731 13.123 5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.305 14.781 4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.807 12.784 3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.143 14.486 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.852 13.536 1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.608 15.159 1.687 1.00 0.00 H new ATOM 549 N SER A 36 -9.324 11.071 2.809 1.00 0.00 N ATOM 550 CA SER A 36 -9.249 9.614 2.820 1.00 0.00 C ATOM 551 C SER A 36 -8.577 9.079 1.558 1.00 0.00 C ATOM 552 O SER A 36 -8.994 8.061 1.006 1.00 0.00 O ATOM 553 CB SER A 36 -10.648 9.011 2.959 1.00 0.00 C ATOM 554 OG SER A 36 -11.143 9.164 4.278 1.00 0.00 O ATOM 0 H SER A 36 -9.692 11.470 1.945 1.00 0.00 H new ATOM 0 HA SER A 36 -8.643 9.321 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.326 9.493 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.618 7.953 2.699 1.00 0.00 H new ATOM 0 HG SER A 36 -10.638 8.585 4.886 1.00 0.00 H new ATOM 560 N ASP A 37 -7.530 9.764 1.109 1.00 0.00 N ATOM 561 CA ASP A 37 -6.800 9.346 -0.083 1.00 0.00 C ATOM 562 C ASP A 37 -5.413 8.835 0.292 1.00 0.00 C ATOM 563 O ASP A 37 -4.660 9.518 0.986 1.00 0.00 O ATOM 564 CB ASP A 37 -6.680 10.507 -1.071 1.00 0.00 C ATOM 565 CG ASP A 37 -7.793 10.511 -2.099 1.00 0.00 C ATOM 566 OD1 ASP A 37 -8.889 9.997 -1.790 1.00 0.00 O ATOM 567 OD2 ASP A 37 -7.570 11.029 -3.213 1.00 0.00 O ATOM 0 H ASP A 37 -7.169 10.609 1.551 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.355 8.537 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.693 11.449 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.719 10.448 -1.581 1.00 0.00 H new ATOM 572 N PHE A 38 -5.081 7.631 -0.162 1.00 0.00 N ATOM 573 CA PHE A 38 -3.783 7.038 0.139 1.00 0.00 C ATOM 574 C PHE A 38 -3.144 6.425 -1.106 1.00 0.00 C ATOM 575 O PHE A 38 -3.833 6.020 -2.042 1.00 0.00 O ATOM 576 CB PHE A 38 -3.925 5.976 1.229 1.00 0.00 C ATOM 577 CG PHE A 38 -3.980 6.546 2.618 1.00 0.00 C ATOM 578 CD1 PHE A 38 -5.155 7.089 3.112 1.00 0.00 C ATOM 579 CD2 PHE A 38 -2.857 6.539 3.429 1.00 0.00 C ATOM 580 CE1 PHE A 38 -5.209 7.613 4.390 1.00 0.00 C ATOM 581 CE2 PHE A 38 -2.904 7.062 4.707 1.00 0.00 C ATOM 582 CZ PHE A 38 -4.082 7.599 5.188 1.00 0.00 C ATOM 0 H PHE A 38 -5.690 7.049 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.130 7.835 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.831 5.398 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.086 5.284 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.039 7.103 2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.934 6.120 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.131 8.033 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.021 7.051 5.329 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.122 8.007 6.187 1.00 0.00 H new ATOM 592 N SER A 39 -1.817 6.355 -1.096 1.00 0.00 N ATOM 593 CA SER A 39 -1.056 5.785 -2.203 1.00 0.00 C ATOM 594 C SER A 39 -0.053 4.774 -1.668 1.00 0.00 C ATOM 595 O SER A 39 0.573 5.014 -0.641 1.00 0.00 O ATOM 596 CB SER A 39 -0.330 6.885 -2.979 1.00 0.00 C ATOM 597 OG SER A 39 -1.251 7.749 -3.622 1.00 0.00 O ATOM 0 H SER A 39 -1.240 6.690 -0.324 1.00 0.00 H new ATOM 0 HA SER A 39 -1.746 5.284 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.299 7.460 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.331 6.436 -3.721 1.00 0.00 H new ATOM 0 HG SER A 39 -0.762 8.444 -4.110 1.00 0.00 H new ATOM 603 N VAL A 40 0.100 3.644 -2.348 1.00 0.00 N ATOM 604 CA VAL A 40 1.034 2.626 -1.885 1.00 0.00 C ATOM 605 C VAL A 40 1.708 1.889 -3.045 1.00 0.00 C ATOM 606 O VAL A 40 1.089 1.620 -4.078 1.00 0.00 O ATOM 607 CB VAL A 40 0.323 1.637 -0.937 1.00 0.00 C ATOM 608 CG1 VAL A 40 -0.710 0.803 -1.665 1.00 0.00 C ATOM 609 CG2 VAL A 40 1.322 0.751 -0.218 1.00 0.00 C ATOM 0 H VAL A 40 -0.400 3.412 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 40 1.825 3.133 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.203 2.232 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.187 0.120 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.463 1.458 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.224 0.230 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.791 0.065 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.895 0.180 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.000 1.370 0.370 1.00 0.00 H new ATOM 619 N SER A 41 2.998 1.591 -2.869 1.00 0.00 N ATOM 620 CA SER A 41 3.789 0.909 -3.897 1.00 0.00 C ATOM 621 C SER A 41 4.397 -0.396 -3.376 1.00 0.00 C ATOM 622 O SER A 41 4.897 -0.451 -2.245 1.00 0.00 O ATOM 623 CB SER A 41 4.902 1.828 -4.402 1.00 0.00 C ATOM 624 OG SER A 41 4.369 2.940 -5.100 1.00 0.00 O ATOM 0 H SER A 41 3.519 1.812 -2.020 1.00 0.00 H new ATOM 0 HA SER A 41 3.115 0.662 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.500 2.176 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.570 1.269 -5.058 1.00 0.00 H new ATOM 0 HG SER A 41 5.101 3.513 -5.411 1.00 0.00 H new ATOM 630 N LEU A 42 4.346 -1.442 -4.212 1.00 0.00 N ATOM 631 CA LEU A 42 4.890 -2.753 -3.850 1.00 0.00 C ATOM 632 C LEU A 42 5.748 -3.346 -4.961 1.00 0.00 C ATOM 633 O LEU A 42 5.609 -2.991 -6.132 1.00 0.00 O ATOM 634 CB LEU A 42 3.765 -3.736 -3.542 1.00 0.00 C ATOM 635 CG LEU A 42 4.213 -5.037 -2.888 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.676 -4.771 -1.470 1.00 0.00 C ATOM 637 CD2 LEU A 42 3.092 -6.050 -2.899 1.00 0.00 C ATOM 0 H LEU A 42 3.933 -1.403 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 42 5.511 -2.595 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.043 -3.247 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.245 -3.973 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 42 5.047 -5.447 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.995 -5.706 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.511 -4.071 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.855 -4.344 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.431 -6.973 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.238 -5.654 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.797 -6.255 -3.928 1.00 0.00 H new ATOM 649 N LYS A 43 6.612 -4.281 -4.579 1.00 0.00 N ATOM 650 CA LYS A 43 7.476 -4.970 -5.526 1.00 0.00 C ATOM 651 C LYS A 43 6.838 -6.295 -5.955 1.00 0.00 C ATOM 652 O LYS A 43 6.062 -6.888 -5.205 1.00 0.00 O ATOM 653 CB LYS A 43 8.852 -5.224 -4.893 1.00 0.00 C ATOM 654 CG LYS A 43 8.998 -6.595 -4.243 1.00 0.00 C ATOM 655 CD LYS A 43 9.529 -7.624 -5.229 1.00 0.00 C ATOM 656 CE LYS A 43 11.047 -7.601 -5.296 1.00 0.00 C ATOM 657 NZ LYS A 43 11.550 -8.003 -6.638 1.00 0.00 N ATOM 0 H LYS A 43 6.731 -4.580 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 43 7.605 -4.343 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.618 -5.115 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.041 -4.457 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.673 -6.525 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.032 -6.922 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.192 -8.618 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.117 -7.427 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.406 -6.599 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.454 -8.272 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.138 -8.856 -6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.745 -8.203 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.119 -7.231 -7.041 1.00 0.00 H new ATOM 671 N ALA A 44 7.177 -6.763 -7.153 1.00 0.00 N ATOM 672 CA ALA A 44 6.646 -8.022 -7.661 1.00 0.00 C ATOM 673 C ALA A 44 7.768 -8.868 -8.249 1.00 0.00 C ATOM 674 O ALA A 44 8.938 -8.499 -8.160 1.00 0.00 O ATOM 675 CB ALA A 44 5.568 -7.764 -8.704 1.00 0.00 C ATOM 0 H ALA A 44 7.817 -6.288 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 44 6.196 -8.569 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.183 -8.715 -9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.756 -7.193 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.992 -7.199 -9.534 1.00 0.00 H new ATOM 681 N SER A 45 7.415 -9.999 -8.853 1.00 0.00 N ATOM 682 CA SER A 45 8.416 -10.872 -9.454 1.00 0.00 C ATOM 683 C SER A 45 9.109 -10.155 -10.608 1.00 0.00 C ATOM 684 O SER A 45 8.767 -10.354 -11.773 1.00 0.00 O ATOM 685 CB SER A 45 7.767 -12.166 -9.950 1.00 0.00 C ATOM 686 OG SER A 45 7.977 -13.226 -9.033 1.00 0.00 O ATOM 0 H SER A 45 6.454 -10.329 -8.939 1.00 0.00 H new ATOM 0 HA SER A 45 9.159 -11.125 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.698 -12.009 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.181 -12.435 -10.922 1.00 0.00 H new ATOM 0 HG SER A 45 7.551 -14.041 -9.372 1.00 0.00 H new ATOM 692 N GLY A 46 10.078 -9.308 -10.269 1.00 0.00 N ATOM 693 CA GLY A 46 10.803 -8.554 -11.277 1.00 0.00 C ATOM 694 C GLY A 46 10.065 -7.304 -11.718 1.00 0.00 C ATOM 695 O GLY A 46 10.668 -6.364 -12.236 1.00 0.00 O ATOM 0 H GLY A 46 10.375 -9.130 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.780 -8.274 -10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.980 -9.191 -12.144 1.00 0.00 H new ATOM 699 N LYS A 47 8.760 -7.301 -11.507 1.00 0.00 N ATOM 700 CA LYS A 47 7.910 -6.181 -11.868 1.00 0.00 C ATOM 701 C LYS A 47 7.413 -5.467 -10.614 1.00 0.00 C ATOM 702 O LYS A 47 7.491 -6.012 -9.516 1.00 0.00 O ATOM 703 CB LYS A 47 6.730 -6.682 -12.698 1.00 0.00 C ATOM 704 CG LYS A 47 6.798 -6.290 -14.166 1.00 0.00 C ATOM 705 CD LYS A 47 6.833 -4.781 -14.346 1.00 0.00 C ATOM 706 CE LYS A 47 5.434 -4.206 -14.491 1.00 0.00 C ATOM 707 NZ LYS A 47 4.777 -4.650 -15.752 1.00 0.00 N ATOM 0 H LYS A 47 8.259 -8.079 -11.079 1.00 0.00 H new ATOM 0 HA LYS A 47 8.487 -5.471 -12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.682 -7.768 -12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.806 -6.292 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.686 -6.731 -14.619 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.935 -6.699 -14.692 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.329 -4.323 -13.491 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.423 -4.532 -15.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.827 -4.511 -13.639 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.486 -3.117 -14.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.068 -3.946 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.492 -4.747 -16.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.312 -5.567 -15.597 1.00 0.00 H new ATOM 721 N ASN A 48 6.894 -4.256 -10.777 1.00 0.00 N ATOM 722 CA ASN A 48 6.379 -3.494 -9.644 1.00 0.00 C ATOM 723 C ASN A 48 4.854 -3.454 -9.669 1.00 0.00 C ATOM 724 O ASN A 48 4.248 -3.151 -10.697 1.00 0.00 O ATOM 725 CB ASN A 48 6.941 -2.072 -9.656 1.00 0.00 C ATOM 726 CG ASN A 48 6.708 -1.369 -10.979 1.00 0.00 C ATOM 727 OD1 ASN A 48 7.185 -1.814 -12.023 1.00 0.00 O ATOM 728 ND2 ASN A 48 5.973 -0.264 -10.942 1.00 0.00 N ATOM 0 H ASN A 48 6.818 -3.782 -11.677 1.00 0.00 H new ATOM 0 HA ASN A 48 6.698 -3.991 -8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.479 -1.495 -8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.011 -2.105 -9.449 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.784 0.252 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.597 0.069 -10.054 1.00 0.00 H new ATOM 735 N LYS A 49 4.238 -3.766 -8.532 1.00 0.00 N ATOM 736 CA LYS A 49 2.784 -3.770 -8.425 1.00 0.00 C ATOM 737 C LYS A 49 2.260 -2.387 -8.058 1.00 0.00 C ATOM 738 O LYS A 49 2.605 -1.839 -7.011 1.00 0.00 O ATOM 739 CB LYS A 49 2.328 -4.787 -7.374 1.00 0.00 C ATOM 740 CG LYS A 49 2.186 -6.199 -7.914 1.00 0.00 C ATOM 741 CD LYS A 49 1.224 -7.032 -7.076 1.00 0.00 C ATOM 742 CE LYS A 49 0.475 -8.043 -7.929 1.00 0.00 C ATOM 743 NZ LYS A 49 1.389 -9.073 -8.497 1.00 0.00 N ATOM 0 H LYS A 49 4.724 -4.019 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 49 2.379 -4.051 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.043 -4.792 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.371 -4.467 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.831 -6.160 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.163 -6.681 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.777 -7.553 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.511 -6.375 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.292 -8.530 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.038 -7.525 -8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.841 -9.744 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.105 -8.611 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.860 -9.584 -7.723 1.00 0.00 H new ATOM 757 N HIS A 50 1.414 -1.832 -8.921 1.00 0.00 N ATOM 758 CA HIS A 50 0.834 -0.518 -8.675 1.00 0.00 C ATOM 759 C HIS A 50 -0.329 -0.636 -7.701 1.00 0.00 C ATOM 760 O HIS A 50 -1.098 -1.597 -7.751 1.00 0.00 O ATOM 761 CB HIS A 50 0.366 0.132 -9.980 1.00 0.00 C ATOM 762 CG HIS A 50 -0.299 -0.817 -10.931 1.00 0.00 C ATOM 763 ND1 HIS A 50 -1.658 -1.055 -10.929 1.00 0.00 N ATOM 764 CD2 HIS A 50 0.214 -1.586 -11.921 1.00 0.00 C ATOM 765 CE1 HIS A 50 -1.951 -1.929 -11.875 1.00 0.00 C ATOM 766 NE2 HIS A 50 -0.834 -2.266 -12.491 1.00 0.00 N ATOM 0 H HIS A 50 1.117 -2.270 -9.793 1.00 0.00 H new ATOM 0 HA HIS A 50 1.604 0.118 -8.238 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.328 0.939 -9.743 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.224 0.585 -10.476 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.253 -1.652 -12.208 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.937 -2.304 -12.105 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.761 -2.925 -13.266 1.00 0.00 H new ATOM 775 N PHE A 51 -0.445 0.334 -6.805 1.00 0.00 N ATOM 776 CA PHE A 51 -1.507 0.318 -5.809 1.00 0.00 C ATOM 777 C PHE A 51 -1.932 1.739 -5.440 1.00 0.00 C ATOM 778 O PHE A 51 -1.178 2.477 -4.805 1.00 0.00 O ATOM 779 CB PHE A 51 -1.015 -0.434 -4.573 1.00 0.00 C ATOM 780 CG PHE A 51 -2.104 -0.986 -3.704 1.00 0.00 C ATOM 781 CD1 PHE A 51 -3.028 -0.145 -3.110 1.00 0.00 C ATOM 782 CD2 PHE A 51 -2.188 -2.348 -3.464 1.00 0.00 C ATOM 783 CE1 PHE A 51 -4.014 -0.652 -2.290 1.00 0.00 C ATOM 784 CE2 PHE A 51 -3.175 -2.861 -2.648 1.00 0.00 C ATOM 785 CZ PHE A 51 -4.088 -2.013 -2.059 1.00 0.00 C ATOM 0 H PHE A 51 0.180 1.138 -6.747 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.379 -0.188 -6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.374 -1.255 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.398 0.238 -3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.977 0.919 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.473 -3.016 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.728 0.014 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.232 -3.925 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.860 -2.411 -1.418 1.00 0.00 H new ATOM 795 N LYS A 52 -3.143 2.117 -5.846 1.00 0.00 N ATOM 796 CA LYS A 52 -3.664 3.452 -5.562 1.00 0.00 C ATOM 797 C LYS A 52 -4.943 3.381 -4.731 1.00 0.00 C ATOM 798 O LYS A 52 -5.849 2.604 -5.032 1.00 0.00 O ATOM 799 CB LYS A 52 -3.935 4.203 -6.868 1.00 0.00 C ATOM 800 CG LYS A 52 -3.683 5.700 -6.774 1.00 0.00 C ATOM 801 CD LYS A 52 -3.075 6.248 -8.058 1.00 0.00 C ATOM 802 CE LYS A 52 -1.753 6.954 -7.795 1.00 0.00 C ATOM 803 NZ LYS A 52 -1.903 8.436 -7.805 1.00 0.00 N ATOM 0 H LYS A 52 -3.780 1.519 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.911 3.990 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.306 3.786 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.970 4.035 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.621 6.215 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.015 5.905 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.918 5.432 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.773 6.943 -8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.357 6.636 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.026 6.658 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.980 8.880 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.257 8.743 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.577 8.722 -7.066 1.00 0.00 H new ATOM 817 N VAL A 53 -5.009 4.200 -3.684 1.00 0.00 N ATOM 818 CA VAL A 53 -6.175 4.235 -2.808 1.00 0.00 C ATOM 819 C VAL A 53 -6.817 5.623 -2.803 1.00 0.00 C ATOM 820 O VAL A 53 -6.233 6.584 -2.307 1.00 0.00 O ATOM 821 CB VAL A 53 -5.796 3.822 -1.368 1.00 0.00 C ATOM 822 CG1 VAL A 53 -6.984 3.937 -0.421 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.244 2.407 -1.361 1.00 0.00 C ATOM 0 H VAL A 53 -4.267 4.849 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.900 3.520 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.026 4.507 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.680 3.638 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.335 4.969 -0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.788 3.286 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.980 2.125 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.999 1.720 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.357 2.359 -1.992 1.00 0.00 H new ATOM 833 N GLN A 54 -8.019 5.719 -3.367 1.00 0.00 N ATOM 834 CA GLN A 54 -8.738 6.990 -3.436 1.00 0.00 C ATOM 835 C GLN A 54 -10.113 6.884 -2.785 1.00 0.00 C ATOM 836 O GLN A 54 -10.806 5.878 -2.932 1.00 0.00 O ATOM 837 CB GLN A 54 -8.882 7.433 -4.894 1.00 0.00 C ATOM 838 CG GLN A 54 -8.572 8.904 -5.118 1.00 0.00 C ATOM 839 CD GLN A 54 -7.130 9.140 -5.522 1.00 0.00 C ATOM 840 OE1 GLN A 54 -6.853 9.674 -6.596 1.00 0.00 O ATOM 841 NE2 GLN A 54 -6.201 8.743 -4.660 1.00 0.00 N ATOM 0 H GLN A 54 -8.516 4.932 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.161 7.734 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.217 6.832 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.900 7.230 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.231 9.297 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.785 9.460 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.475 8.305 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.213 8.877 -4.877 1.00 0.00 H new ATOM 850 N LEU A 55 -10.502 7.931 -2.068 1.00 0.00 N ATOM 851 CA LEU A 55 -11.792 7.963 -1.396 1.00 0.00 C ATOM 852 C LEU A 55 -12.885 8.423 -2.366 1.00 0.00 C ATOM 853 O LEU A 55 -12.907 9.572 -2.801 1.00 0.00 O ATOM 854 CB LEU A 55 -11.688 8.862 -0.144 1.00 0.00 C ATOM 855 CG LEU A 55 -12.823 9.866 0.115 1.00 0.00 C ATOM 856 CD1 LEU A 55 -12.679 11.077 -0.790 1.00 0.00 C ATOM 857 CD2 LEU A 55 -14.189 9.214 -0.048 1.00 0.00 C ATOM 0 H LEU A 55 -9.939 8.772 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.072 6.963 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.610 8.213 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.755 9.421 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.747 10.203 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.491 11.777 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.724 11.565 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.719 10.759 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.969 9.951 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.291 8.832 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.287 8.392 0.661 1.00 0.00 H new ATOM 869 N VAL A 56 -13.781 7.502 -2.717 1.00 0.00 N ATOM 870 CA VAL A 56 -14.869 7.799 -3.640 1.00 0.00 C ATOM 871 C VAL A 56 -16.224 7.788 -2.932 1.00 0.00 C ATOM 872 O VAL A 56 -16.522 6.876 -2.168 1.00 0.00 O ATOM 873 CB VAL A 56 -14.898 6.793 -4.810 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.216 6.034 -4.839 1.00 0.00 C ATOM 875 CG2 VAL A 56 -14.657 7.503 -6.133 1.00 0.00 C ATOM 0 H VAL A 56 -13.772 6.542 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 56 -14.685 8.799 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.096 6.071 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.213 5.331 -5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.342 5.488 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.039 6.738 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.681 6.777 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.434 8.251 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.683 7.991 -6.112 1.00 0.00 H new ATOM 885 N ASP A 57 -17.048 8.788 -3.230 1.00 0.00 N ATOM 886 CA ASP A 57 -18.394 8.905 -2.659 1.00 0.00 C ATOM 887 C ASP A 57 -18.465 8.368 -1.228 1.00 0.00 C ATOM 888 O ASP A 57 -19.244 7.462 -0.932 1.00 0.00 O ATOM 889 CB ASP A 57 -19.402 8.167 -3.543 1.00 0.00 C ATOM 890 CG ASP A 57 -20.013 9.068 -4.598 1.00 0.00 C ATOM 891 OD1 ASP A 57 -19.363 9.286 -5.642 1.00 0.00 O ATOM 892 OD2 ASP A 57 -21.142 9.557 -4.381 1.00 0.00 O ATOM 0 H ASP A 57 -16.806 9.542 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 57 -18.641 9.966 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -18.908 7.326 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -20.194 7.754 -2.919 1.00 0.00 H new ATOM 897 N ASN A 58 -17.648 8.932 -0.346 1.00 0.00 N ATOM 898 CA ASN A 58 -17.626 8.506 1.050 1.00 0.00 C ATOM 899 C ASN A 58 -17.245 7.032 1.162 1.00 0.00 C ATOM 900 O ASN A 58 -17.671 6.335 2.083 1.00 0.00 O ATOM 901 CB ASN A 58 -18.990 8.744 1.700 1.00 0.00 C ATOM 902 CG ASN A 58 -18.974 8.479 3.193 1.00 0.00 C ATOM 903 OD1 ASN A 58 -19.808 7.738 3.713 1.00 0.00 O ATOM 904 ND2 ASN A 58 -18.020 9.085 3.891 1.00 0.00 N ATOM 0 H ASN A 58 -16.994 9.682 -0.570 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.875 9.098 1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.300 9.773 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -19.732 8.100 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.958 8.944 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.349 9.691 3.419 1.00 0.00 H new ATOM 911 N VAL A 59 -16.433 6.571 0.218 1.00 0.00 N ATOM 912 CA VAL A 59 -15.977 5.188 0.195 1.00 0.00 C ATOM 913 C VAL A 59 -14.475 5.133 -0.048 1.00 0.00 C ATOM 914 O VAL A 59 -13.899 6.058 -0.615 1.00 0.00 O ATOM 915 CB VAL A 59 -16.720 4.354 -0.883 1.00 0.00 C ATOM 916 CG1 VAL A 59 -15.803 3.976 -2.041 1.00 0.00 C ATOM 917 CG2 VAL A 59 -17.333 3.107 -0.260 1.00 0.00 C ATOM 0 H VAL A 59 -16.075 7.142 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.203 4.751 1.168 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.517 4.977 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.362 3.393 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.421 4.881 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.969 3.383 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.850 2.533 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.545 2.496 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.043 3.398 0.514 1.00 0.00 H new ATOM 927 N TYR A 60 -13.845 4.050 0.376 1.00 0.00 N ATOM 928 CA TYR A 60 -12.411 3.893 0.194 1.00 0.00 C ATOM 929 C TYR A 60 -12.115 2.973 -0.984 1.00 0.00 C ATOM 930 O TYR A 60 -12.517 1.810 -0.993 1.00 0.00 O ATOM 931 CB TYR A 60 -11.778 3.342 1.466 1.00 0.00 C ATOM 932 CG TYR A 60 -12.212 4.065 2.723 1.00 0.00 C ATOM 933 CD1 TYR A 60 -11.798 5.367 2.980 1.00 0.00 C ATOM 934 CD2 TYR A 60 -13.035 3.443 3.654 1.00 0.00 C ATOM 935 CE1 TYR A 60 -12.192 6.027 4.129 1.00 0.00 C ATOM 936 CE2 TYR A 60 -13.433 4.098 4.805 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.008 5.389 5.038 1.00 0.00 C ATOM 938 OH TYR A 60 -13.402 6.044 6.183 1.00 0.00 O ATOM 0 H TYR A 60 -14.302 3.269 0.847 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.981 4.872 -0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.031 2.286 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.693 3.404 1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.158 5.871 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.369 2.432 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.862 7.039 4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.074 3.601 5.518 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.976 5.455 6.716 1.00 0.00 H new ATOM 948 N CYS A 61 -11.419 3.503 -1.982 1.00 0.00 N ATOM 949 CA CYS A 61 -11.081 2.730 -3.171 1.00 0.00 C ATOM 950 C CYS A 61 -9.720 2.057 -3.029 1.00 0.00 C ATOM 951 O CYS A 61 -8.738 2.694 -2.655 1.00 0.00 O ATOM 952 CB CYS A 61 -11.086 3.630 -4.409 1.00 0.00 C ATOM 953 SG CYS A 61 -11.018 2.735 -5.979 1.00 0.00 S ATOM 0 H CYS A 61 -11.078 4.464 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.836 1.952 -3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.986 4.245 -4.393 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.235 4.309 -4.354 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.296 1.481 -5.776 1.00 0.00 H new ATOM 959 N ILE A 62 -9.671 0.767 -3.341 1.00 0.00 N ATOM 960 CA ILE A 62 -8.433 -0.001 -3.263 1.00 0.00 C ATOM 961 C ILE A 62 -8.320 -0.954 -4.450 1.00 0.00 C ATOM 962 O ILE A 62 -9.073 -1.921 -4.556 1.00 0.00 O ATOM 963 CB ILE A 62 -8.342 -0.821 -1.955 1.00 0.00 C ATOM 964 CG1 ILE A 62 -8.982 -0.059 -0.791 1.00 0.00 C ATOM 965 CG2 ILE A 62 -6.891 -1.161 -1.640 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.242 1.206 -0.417 1.00 0.00 C ATOM 0 H ILE A 62 -10.479 0.228 -3.652 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.614 0.718 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.892 -1.751 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.009 0.195 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.029 -0.714 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.845 -1.738 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.469 -1.748 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.319 -0.241 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.752 1.693 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.223 0.957 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.218 1.880 -1.273 1.00 0.00 H new ATOM 978 N GLY A 63 -7.375 -0.674 -5.341 1.00 0.00 N ATOM 979 CA GLY A 63 -7.181 -1.517 -6.507 1.00 0.00 C ATOM 980 C GLY A 63 -8.391 -1.545 -7.425 1.00 0.00 C ATOM 981 O GLY A 63 -8.979 -2.601 -7.653 1.00 0.00 O ATOM 0 H GLY A 63 -6.740 0.121 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.315 -1.161 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.955 -2.532 -6.181 1.00 0.00 H new ATOM 985 N GLN A 64 -8.759 -0.383 -7.959 1.00 0.00 N ATOM 986 CA GLN A 64 -9.901 -0.279 -8.866 1.00 0.00 C ATOM 987 C GLN A 64 -11.148 -0.926 -8.265 1.00 0.00 C ATOM 988 O GLN A 64 -11.978 -1.484 -8.983 1.00 0.00 O ATOM 989 CB GLN A 64 -9.570 -0.932 -10.209 1.00 0.00 C ATOM 990 CG GLN A 64 -10.028 -0.121 -11.410 1.00 0.00 C ATOM 991 CD GLN A 64 -9.459 1.285 -11.415 1.00 0.00 C ATOM 992 OE1 GLN A 64 -10.201 2.267 -11.397 1.00 0.00 O ATOM 993 NE2 GLN A 64 -8.136 1.387 -11.441 1.00 0.00 N ATOM 0 H GLN A 64 -8.283 0.501 -7.780 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.109 0.779 -9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.493 -1.084 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.034 -1.917 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.730 -0.633 -12.325 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.117 -0.069 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.560 0.545 -11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.695 2.307 -11.447 1.00 0.00 H new ATOM 1002 N ARG A 65 -11.270 -0.843 -6.946 1.00 0.00 N ATOM 1003 CA ARG A 65 -12.411 -1.415 -6.240 1.00 0.00 C ATOM 1004 C ARG A 65 -12.804 -0.524 -5.067 1.00 0.00 C ATOM 1005 O ARG A 65 -12.052 0.369 -4.686 1.00 0.00 O ATOM 1006 CB ARG A 65 -12.081 -2.827 -5.746 1.00 0.00 C ATOM 1007 CG ARG A 65 -12.657 -3.927 -6.622 1.00 0.00 C ATOM 1008 CD ARG A 65 -11.770 -4.207 -7.825 1.00 0.00 C ATOM 1009 NE ARG A 65 -10.995 -5.435 -7.662 1.00 0.00 N ATOM 1010 CZ ARG A 65 -9.904 -5.724 -8.369 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -9.458 -4.877 -9.289 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -9.259 -6.862 -8.157 1.00 0.00 N ATOM 0 H ARG A 65 -10.590 -0.383 -6.341 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.252 -1.477 -6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.998 -2.942 -5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.460 -2.946 -4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.772 -4.838 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.652 -3.639 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.387 -4.284 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.091 -3.368 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.308 -6.111 -6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.951 -4.000 -9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.622 -5.103 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.598 -7.517 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.423 -7.083 -8.699 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.981 -0.763 -4.497 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.451 0.034 -3.377 1.00 0.00 C ATOM 1028 C ARG A 66 -14.592 -0.822 -2.129 1.00 0.00 C ATOM 1029 O ARG A 66 -15.232 -1.874 -2.144 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.785 0.682 -3.718 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.840 1.269 -5.120 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.675 2.211 -5.383 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.430 2.388 -6.812 1.00 0.00 N ATOM 1034 CZ ARG A 66 -13.852 3.465 -7.339 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -13.452 4.463 -6.561 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -13.673 3.544 -8.650 1.00 0.00 N ATOM 0 H ARG A 66 -14.622 -1.499 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.716 0.814 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.576 -0.060 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.991 1.471 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.828 0.462 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.779 1.806 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.881 3.179 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.776 1.819 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.719 1.641 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.587 4.408 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.010 5.285 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.978 2.780 -9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.230 4.369 -9.056 1.00 0.00 H new ATOM 1050 N PHE A 67 -13.962 -0.366 -1.056 1.00 0.00 N ATOM 1051 CA PHE A 67 -13.974 -1.081 0.212 1.00 0.00 C ATOM 1052 C PHE A 67 -14.182 -0.136 1.389 1.00 0.00 C ATOM 1053 O PHE A 67 -13.948 1.068 1.282 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.674 -1.859 0.376 1.00 0.00 C ATOM 1055 CG PHE A 67 -12.410 -2.800 -0.765 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -13.271 -3.855 -1.022 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -11.309 -2.624 -1.583 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -13.035 -4.718 -2.075 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -11.067 -3.484 -2.638 1.00 0.00 C ATOM 1060 CZ PHE A 67 -11.931 -4.533 -2.883 1.00 0.00 C ATOM 0 H PHE A 67 -13.431 0.505 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.813 -1.777 0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.844 -1.157 0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.710 -2.425 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.136 -4.004 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.630 -1.805 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.713 -5.536 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.204 -3.336 -3.270 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.743 -5.208 -3.705 1.00 0.00 H new ATOM 1070 N HIS A 68 -14.616 -0.693 2.516 1.00 0.00 N ATOM 1071 CA HIS A 68 -14.848 0.097 3.719 1.00 0.00 C ATOM 1072 C HIS A 68 -13.596 0.126 4.590 1.00 0.00 C ATOM 1073 O HIS A 68 -13.665 -0.062 5.805 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.027 -0.475 4.509 1.00 0.00 C ATOM 1075 CG HIS A 68 -16.360 0.307 5.742 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -16.431 1.684 5.764 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -16.641 -0.102 7.002 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -16.740 2.087 6.984 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -16.874 1.023 7.754 1.00 0.00 N ATOM 0 H HIS A 68 -14.814 -1.688 2.620 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.086 1.118 3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.904 -0.509 3.863 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.799 -1.503 4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.675 -1.124 7.351 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.862 3.113 7.298 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.112 1.035 8.746 1.00 0.00 H new ATOM 1088 N THR A 69 -12.451 0.361 3.958 1.00 0.00 N ATOM 1089 CA THR A 69 -11.183 0.414 4.672 1.00 0.00 C ATOM 1090 C THR A 69 -10.237 1.418 4.014 1.00 0.00 C ATOM 1091 O THR A 69 -10.364 1.711 2.830 1.00 0.00 O ATOM 1092 CB THR A 69 -10.551 -0.978 4.693 1.00 0.00 C ATOM 1093 OG1 THR A 69 -9.454 -1.017 5.587 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.060 -1.438 3.336 1.00 0.00 C ATOM 0 H THR A 69 -12.376 0.518 2.953 1.00 0.00 H new ATOM 0 HA THR A 69 -11.365 0.741 5.696 1.00 0.00 H new ATOM 0 HB THR A 69 -11.346 -1.650 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.723 -0.642 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.624 -2.433 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.897 -1.470 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.306 -0.743 2.967 1.00 0.00 H new ATOM 1102 N MET A 70 -9.288 1.938 4.784 1.00 0.00 N ATOM 1103 CA MET A 70 -8.334 2.911 4.260 1.00 0.00 C ATOM 1104 C MET A 70 -7.218 3.168 5.267 1.00 0.00 C ATOM 1105 O MET A 70 -7.457 3.702 6.350 1.00 0.00 O ATOM 1106 CB MET A 70 -9.058 4.218 3.920 1.00 0.00 C ATOM 1107 CG MET A 70 -8.130 5.383 3.598 1.00 0.00 C ATOM 1108 SD MET A 70 -8.518 6.863 4.554 1.00 0.00 S ATOM 1109 CE MET A 70 -7.976 6.370 6.189 1.00 0.00 C ATOM 0 H MET A 70 -9.158 1.704 5.768 1.00 0.00 H new ATOM 0 HA MET A 70 -7.885 2.507 3.352 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.714 4.045 3.067 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.694 4.497 4.760 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.100 5.087 3.795 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.198 5.614 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.036 7.223 6.865 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.616 5.569 6.558 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.946 6.018 6.140 1.00 0.00 H new ATOM 1119 N ASP A 71 -5.999 2.773 4.904 1.00 0.00 N ATOM 1120 CA ASP A 71 -4.836 2.948 5.775 1.00 0.00 C ATOM 1121 C ASP A 71 -4.821 1.902 6.883 1.00 0.00 C ATOM 1122 O ASP A 71 -3.776 1.620 7.469 1.00 0.00 O ATOM 1123 CB ASP A 71 -4.818 4.350 6.379 1.00 0.00 C ATOM 1124 CG ASP A 71 -3.413 4.846 6.655 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -2.487 4.448 5.918 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -3.238 5.633 7.610 1.00 0.00 O ATOM 0 H ASP A 71 -5.790 2.328 4.010 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.942 2.818 5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.317 5.041 5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.388 4.349 7.308 1.00 0.00 H new ATOM 1131 N GLU A 72 -5.981 1.310 7.149 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.090 0.276 8.166 1.00 0.00 C ATOM 1133 C GLU A 72 -5.978 -1.091 7.509 1.00 0.00 C ATOM 1134 O GLU A 72 -5.678 -2.090 8.164 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.419 0.398 8.916 1.00 0.00 C ATOM 1136 CG GLU A 72 -7.284 1.037 10.289 1.00 0.00 C ATOM 1137 CD GLU A 72 -7.589 0.070 11.417 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -7.229 -1.119 11.294 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -8.187 0.504 12.424 1.00 0.00 O ATOM 0 H GLU A 72 -6.856 1.530 6.674 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.281 0.398 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.113 0.987 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.857 -0.594 9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.271 1.421 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.958 1.891 10.356 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.204 -1.117 6.198 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.110 -2.345 5.430 1.00 0.00 C ATOM 1148 C LEU A 73 -4.664 -2.699 5.144 1.00 0.00 C ATOM 1149 O LEU A 73 -4.365 -3.791 4.682 1.00 0.00 O ATOM 1150 CB LEU A 73 -6.901 -2.246 4.114 1.00 0.00 C ATOM 1151 CG LEU A 73 -6.596 -1.043 3.190 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.287 -0.350 3.530 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.557 -1.492 1.741 1.00 0.00 C ATOM 0 H LEU A 73 -6.454 -0.295 5.648 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.550 -3.139 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.726 -3.160 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.963 -2.222 4.360 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.400 -0.324 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.129 0.485 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.327 0.021 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.464 -1.058 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.342 -0.637 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.779 -2.245 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.522 -1.917 1.466 1.00 0.00 H new ATOM 1165 N VAL A 74 -3.763 -1.786 5.430 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.365 -2.048 5.209 1.00 0.00 C ATOM 1167 C VAL A 74 -1.765 -2.716 6.434 1.00 0.00 C ATOM 1168 O VAL A 74 -0.619 -3.166 6.420 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.589 -0.769 4.900 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.368 -1.103 4.070 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.466 0.246 4.178 1.00 0.00 C ATOM 0 H VAL A 74 -3.974 -0.864 5.813 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.287 -2.708 4.345 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.271 -0.320 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.184 -0.189 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.272 -1.789 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.680 -1.571 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.887 1.146 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.820 -0.181 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.320 0.501 4.806 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.564 -2.782 7.490 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.140 -3.401 8.736 1.00 0.00 C ATOM 1183 C GLU A 75 -2.531 -4.874 8.760 1.00 0.00 C ATOM 1184 O GLU A 75 -1.891 -5.685 9.430 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.761 -2.675 9.930 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.908 -1.531 10.452 1.00 0.00 C ATOM 1187 CD GLU A 75 -1.152 -1.897 11.714 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.800 -2.054 12.770 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.089 -2.026 11.646 1.00 0.00 O ATOM 0 H GLU A 75 -3.514 -2.412 7.507 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.055 -3.326 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.738 -2.287 9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.927 -3.391 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.198 -1.231 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.545 -0.669 10.651 1.00 0.00 H new ATOM 1196 N HIS A 76 -3.585 -5.216 8.024 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.055 -6.594 7.964 1.00 0.00 C ATOM 1198 C HIS A 76 -4.816 -6.877 6.669 1.00 0.00 C ATOM 1199 O HIS A 76 -5.579 -7.840 6.596 1.00 0.00 O ATOM 1200 CB HIS A 76 -4.945 -6.903 9.169 1.00 0.00 C ATOM 1201 CG HIS A 76 -4.808 -8.309 9.666 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -5.064 -8.675 10.970 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -4.437 -9.443 9.024 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -4.856 -9.973 11.110 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -4.475 -10.461 9.944 1.00 0.00 N ATOM 0 H HIS A 76 -4.127 -4.559 7.463 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.178 -7.241 7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.700 -6.214 9.978 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.985 -6.721 8.899 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.163 -9.530 7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.977 -10.538 12.023 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.246 -11.437 9.757 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.600 -6.048 5.643 1.00 0.00 N ATOM 1215 CA TYR A 77 -5.260 -6.227 4.354 1.00 0.00 C ATOM 1216 C TYR A 77 -6.728 -6.617 4.508 1.00 0.00 C ATOM 1217 O TYR A 77 -7.126 -7.731 4.168 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.509 -7.264 3.522 1.00 0.00 C ATOM 1219 CG TYR A 77 -4.364 -8.615 4.190 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.345 -8.856 5.103 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -5.247 -9.651 3.906 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -3.210 -10.088 5.714 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -5.118 -10.886 4.513 1.00 0.00 C ATOM 1224 CZ TYR A 77 -4.098 -11.099 5.416 1.00 0.00 C ATOM 1225 OH TYR A 77 -3.967 -12.327 6.023 1.00 0.00 O ATOM 0 H TYR A 77 -3.971 -5.246 5.684 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.239 -5.269 3.835 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.028 -7.395 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.516 -6.878 3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.646 -8.067 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.047 -9.488 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.412 -10.258 6.422 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.812 -11.680 4.281 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.673 -12.927 5.704 1.00 0.00 H new ATOM 1235 N LYS A 78 -7.536 -5.680 5.003 1.00 0.00 N ATOM 1236 CA LYS A 78 -8.969 -5.927 5.177 1.00 0.00 C ATOM 1237 C LYS A 78 -9.571 -6.347 3.840 1.00 0.00 C ATOM 1238 O LYS A 78 -9.849 -7.526 3.618 1.00 0.00 O ATOM 1239 CB LYS A 78 -9.698 -4.687 5.721 1.00 0.00 C ATOM 1240 CG LYS A 78 -8.818 -3.744 6.529 1.00 0.00 C ATOM 1241 CD LYS A 78 -9.575 -3.131 7.698 1.00 0.00 C ATOM 1242 CE LYS A 78 -9.552 -4.023 8.932 1.00 0.00 C ATOM 1243 NZ LYS A 78 -8.291 -4.810 9.047 1.00 0.00 N ATOM 0 H LYS A 78 -7.228 -4.751 5.289 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.094 -6.725 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.127 -4.136 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.529 -5.014 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.950 -4.287 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.444 -2.951 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.138 -2.163 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.608 -2.949 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.674 -3.407 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.401 -4.706 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.185 -5.155 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.326 -5.619 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.481 -4.205 8.804 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.729 -5.384 2.934 1.00 0.00 N ATOM 1258 CA LYS A 79 -10.249 -5.672 1.605 1.00 0.00 C ATOM 1259 C LYS A 79 -9.289 -5.120 0.554 1.00 0.00 C ATOM 1260 O LYS A 79 -9.627 -4.229 -0.223 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.640 -5.066 1.427 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.656 -5.572 2.438 1.00 0.00 C ATOM 1263 CD LYS A 79 -12.773 -4.636 3.629 1.00 0.00 C ATOM 1264 CE LYS A 79 -13.955 -5.002 4.512 1.00 0.00 C ATOM 1265 NZ LYS A 79 -15.239 -4.481 3.968 1.00 0.00 N ATOM 0 H LYS A 79 -9.505 -4.403 3.098 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.334 -6.752 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.568 -3.981 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.998 -5.288 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.629 -5.674 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.365 -6.565 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.855 -4.674 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.884 -3.610 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.015 -6.086 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.797 -4.602 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.019 -4.752 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.192 -3.444 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.404 -4.882 3.023 1.00 0.00 H new ATOM 1279 N ALA A 80 -8.085 -5.675 0.557 1.00 0.00 N ATOM 1280 CA ALA A 80 -7.024 -5.291 -0.366 1.00 0.00 C ATOM 1281 C ALA A 80 -6.843 -6.345 -1.449 1.00 0.00 C ATOM 1282 O ALA A 80 -7.137 -7.520 -1.225 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.720 -5.072 0.386 1.00 0.00 C ATOM 0 H ALA A 80 -7.814 -6.413 1.207 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.310 -4.355 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.938 -4.786 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.853 -4.280 1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.433 -5.993 0.893 1.00 0.00 H new ATOM 1289 N PRO A 81 -6.314 -5.968 -2.628 1.00 0.00 N ATOM 1290 CA PRO A 81 -6.056 -6.926 -3.709 1.00 0.00 C ATOM 1291 C PRO A 81 -4.964 -7.912 -3.306 1.00 0.00 C ATOM 1292 O PRO A 81 -4.452 -8.669 -4.131 1.00 0.00 O ATOM 1293 CB PRO A 81 -5.570 -6.038 -4.853 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.939 -4.894 -4.151 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.852 -4.616 -2.984 1.00 0.00 C ATOM 0 HA PRO A 81 -6.930 -7.525 -3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.858 -6.560 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.394 -5.715 -5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.931 -5.141 -3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.854 -4.026 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.326 -4.134 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.679 -3.962 -3.260 1.00 0.00 H new ATOM 1303 N ILE A 82 -4.615 -7.886 -2.019 1.00 0.00 N ATOM 1304 CA ILE A 82 -3.602 -8.746 -1.469 1.00 0.00 C ATOM 1305 C ILE A 82 -4.008 -10.199 -1.670 1.00 0.00 C ATOM 1306 O ILE A 82 -5.134 -10.596 -1.370 1.00 0.00 O ATOM 1307 CB ILE A 82 -3.387 -8.410 0.020 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -2.415 -7.245 0.137 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.873 -9.594 0.809 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.870 -6.194 1.098 1.00 0.00 C ATOM 0 H ILE A 82 -5.039 -7.258 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.654 -8.588 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.354 -8.139 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.443 -7.622 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.277 -6.795 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.738 -9.306 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.592 -10.411 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.918 -9.920 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.133 -5.392 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.828 -5.792 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.981 -6.632 2.090 1.00 0.00 H new ATOM 1322 N PHE A 83 -3.095 -10.961 -2.235 1.00 0.00 N ATOM 1323 CA PHE A 83 -3.347 -12.361 -2.559 1.00 0.00 C ATOM 1324 C PHE A 83 -2.211 -13.268 -2.091 1.00 0.00 C ATOM 1325 O PHE A 83 -1.080 -12.825 -1.938 1.00 0.00 O ATOM 1326 CB PHE A 83 -3.525 -12.487 -4.073 1.00 0.00 C ATOM 1327 CG PHE A 83 -4.945 -12.719 -4.502 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -5.698 -13.737 -3.941 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -5.527 -11.915 -5.469 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -7.006 -13.948 -4.336 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -6.833 -12.121 -5.869 1.00 0.00 C ATOM 1332 CZ PHE A 83 -7.573 -13.139 -5.302 1.00 0.00 C ATOM 0 H PHE A 83 -2.161 -10.636 -2.484 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.250 -12.681 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.156 -11.579 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.908 -13.310 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.259 -14.373 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.952 -11.117 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -7.584 -14.744 -3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.274 -11.487 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 83 -8.594 -13.303 -5.613 1.00 0.00 H new ATOM 1342 N THR A 84 -2.522 -14.545 -1.873 1.00 0.00 N ATOM 1343 CA THR A 84 -1.517 -15.511 -1.434 1.00 0.00 C ATOM 1344 C THR A 84 -1.303 -16.595 -2.487 1.00 0.00 C ATOM 1345 O THR A 84 -2.260 -17.138 -3.039 1.00 0.00 O ATOM 1346 CB THR A 84 -1.927 -16.152 -0.107 1.00 0.00 C ATOM 1347 OG1 THR A 84 -2.138 -15.163 0.885 1.00 0.00 O ATOM 1348 CG2 THR A 84 -0.898 -17.129 0.428 1.00 0.00 C ATOM 0 H THR A 84 -3.458 -14.933 -1.993 1.00 0.00 H new ATOM 0 HA THR A 84 -0.580 -14.973 -1.293 1.00 0.00 H new ATOM 0 HB THR A 84 -2.846 -16.697 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.401 -15.593 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.250 -17.548 1.371 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.750 -17.933 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.046 -16.610 0.592 1.00 0.00 H new ATOM 1356 N SER A 85 -0.038 -16.908 -2.756 1.00 0.00 N ATOM 1357 CA SER A 85 0.307 -17.930 -3.738 1.00 0.00 C ATOM 1358 C SER A 85 0.841 -19.182 -3.051 1.00 0.00 C ATOM 1359 O SER A 85 1.693 -19.098 -2.161 1.00 0.00 O ATOM 1360 CB SER A 85 1.346 -17.393 -4.722 1.00 0.00 C ATOM 1361 OG SER A 85 1.189 -17.982 -6.001 1.00 0.00 O ATOM 0 H SER A 85 0.765 -16.468 -2.307 1.00 0.00 H new ATOM 0 HA SER A 85 -0.598 -18.193 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.250 -16.310 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.348 -17.597 -4.345 1.00 0.00 H new ATOM 0 HG SER A 85 1.864 -17.621 -6.613 1.00 0.00 H new ATOM 1367 N GLU A 86 0.328 -20.339 -3.475 1.00 0.00 N ATOM 1368 CA GLU A 86 0.726 -21.635 -2.916 1.00 0.00 C ATOM 1369 C GLU A 86 2.220 -21.701 -2.609 1.00 0.00 C ATOM 1370 O GLU A 86 2.639 -22.412 -1.695 1.00 0.00 O ATOM 1371 CB GLU A 86 0.347 -22.762 -3.878 1.00 0.00 C ATOM 1372 CG GLU A 86 0.761 -22.499 -5.317 1.00 0.00 C ATOM 1373 CD GLU A 86 -0.425 -22.388 -6.255 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -0.855 -23.429 -6.794 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -0.925 -21.260 -6.449 1.00 0.00 O ATOM 0 H GLU A 86 -0.373 -20.405 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 86 0.191 -21.756 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.810 -23.689 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.732 -22.913 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.342 -21.578 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.413 -23.304 -5.656 1.00 0.00 H new ATOM 1382 N HIS A 87 3.023 -20.959 -3.366 1.00 0.00 N ATOM 1383 CA HIS A 87 4.466 -20.946 -3.154 1.00 0.00 C ATOM 1384 C HIS A 87 4.854 -19.962 -2.052 1.00 0.00 C ATOM 1385 O HIS A 87 5.929 -19.363 -2.093 1.00 0.00 O ATOM 1386 CB HIS A 87 5.195 -20.591 -4.450 1.00 0.00 C ATOM 1387 CG HIS A 87 6.613 -21.067 -4.482 1.00 0.00 C ATOM 1388 ND1 HIS A 87 6.958 -22.399 -4.579 1.00 0.00 N ATOM 1389 CD2 HIS A 87 7.780 -20.382 -4.423 1.00 0.00 C ATOM 1390 CE1 HIS A 87 8.275 -22.512 -4.578 1.00 0.00 C ATOM 1391 NE2 HIS A 87 8.796 -21.303 -4.485 1.00 0.00 N ATOM 0 H HIS A 87 2.701 -20.362 -4.128 1.00 0.00 H new ATOM 0 HA HIS A 87 4.764 -21.947 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.655 -21.023 -5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.179 -19.509 -4.583 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.891 -19.311 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.830 -23.436 -4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.793 -21.088 -4.463 1.00 0.00 H new ATOM 1400 N GLY A 88 3.977 -19.805 -1.066 1.00 0.00 N ATOM 1401 CA GLY A 88 4.244 -18.904 0.037 1.00 0.00 C ATOM 1402 C GLY A 88 4.544 -17.486 -0.409 1.00 0.00 C ATOM 1403 O GLY A 88 5.160 -16.719 0.330 1.00 0.00 O ATOM 0 H GLY A 88 3.081 -20.290 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.383 -18.893 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.089 -19.284 0.612 1.00 0.00 H new ATOM 1407 N GLU A 89 4.092 -17.123 -1.606 1.00 0.00 N ATOM 1408 CA GLU A 89 4.308 -15.774 -2.112 1.00 0.00 C ATOM 1409 C GLU A 89 2.967 -15.051 -2.191 1.00 0.00 C ATOM 1410 O GLU A 89 2.070 -15.451 -2.932 1.00 0.00 O ATOM 1411 CB GLU A 89 5.034 -15.804 -3.468 1.00 0.00 C ATOM 1412 CG GLU A 89 4.118 -15.846 -4.677 1.00 0.00 C ATOM 1413 CD GLU A 89 4.677 -15.079 -5.859 1.00 0.00 C ATOM 1414 OE1 GLU A 89 5.917 -15.023 -5.999 1.00 0.00 O ATOM 1415 OE2 GLU A 89 3.874 -14.534 -6.647 1.00 0.00 O ATOM 0 H GLU A 89 3.579 -17.738 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 89 4.956 -15.224 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.672 -14.923 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.689 -16.675 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.953 -16.884 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.147 -15.432 -4.407 1.00 0.00 H new ATOM 1422 N LYS A 90 2.817 -14.021 -1.380 1.00 0.00 N ATOM 1423 CA LYS A 90 1.565 -13.278 -1.323 1.00 0.00 C ATOM 1424 C LYS A 90 1.750 -11.776 -1.510 1.00 0.00 C ATOM 1425 O LYS A 90 2.683 -11.181 -0.970 1.00 0.00 O ATOM 1426 CB LYS A 90 0.875 -13.528 0.025 1.00 0.00 C ATOM 1427 CG LYS A 90 1.201 -14.878 0.646 1.00 0.00 C ATOM 1428 CD LYS A 90 2.476 -14.818 1.475 1.00 0.00 C ATOM 1429 CE LYS A 90 2.178 -14.868 2.966 1.00 0.00 C ATOM 1430 NZ LYS A 90 1.905 -13.515 3.527 1.00 0.00 N ATOM 0 H LYS A 90 3.543 -13.677 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 90 0.952 -13.638 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.164 -12.740 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.204 -13.453 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.371 -15.200 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.312 -15.624 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.126 -15.651 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.019 -13.902 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.318 -15.514 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.024 -15.314 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.139 -13.506 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.486 -12.810 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.899 -13.284 3.402 1.00 0.00 H new ATOM 1444 N LEU A 91 0.803 -11.159 -2.210 1.00 0.00 N ATOM 1445 CA LEU A 91 0.804 -9.717 -2.390 1.00 0.00 C ATOM 1446 C LEU A 91 0.344 -9.125 -1.076 1.00 0.00 C ATOM 1447 O LEU A 91 -0.847 -9.120 -0.792 1.00 0.00 O ATOM 1448 CB LEU A 91 -0.171 -9.315 -3.502 1.00 0.00 C ATOM 1449 CG LEU A 91 -0.135 -7.859 -3.978 1.00 0.00 C ATOM 1450 CD1 LEU A 91 -1.525 -7.441 -4.417 1.00 0.00 C ATOM 1451 CD2 LEU A 91 0.386 -6.921 -2.899 1.00 0.00 C ATOM 0 H LEU A 91 0.025 -11.639 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 91 1.795 -9.360 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.017 -9.956 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.182 -9.532 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 91 0.554 -7.792 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.503 -6.405 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.858 -8.083 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.215 -7.533 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.395 -5.899 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.262 -6.977 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.398 -7.213 -2.620 1.00 0.00 H new ATOM 1463 N TYR A 92 1.292 -8.686 -0.261 1.00 0.00 N ATOM 1464 CA TYR A 92 0.973 -8.148 1.063 1.00 0.00 C ATOM 1465 C TYR A 92 1.582 -6.770 1.295 1.00 0.00 C ATOM 1466 O TYR A 92 2.683 -6.479 0.828 1.00 0.00 O ATOM 1467 CB TYR A 92 1.475 -9.112 2.141 1.00 0.00 C ATOM 1468 CG TYR A 92 0.439 -10.114 2.602 1.00 0.00 C ATOM 1469 CD1 TYR A 92 -0.247 -10.907 1.690 1.00 0.00 C ATOM 1470 CD2 TYR A 92 0.149 -10.268 3.952 1.00 0.00 C ATOM 1471 CE1 TYR A 92 -1.192 -11.823 2.110 1.00 0.00 C ATOM 1472 CE2 TYR A 92 -0.794 -11.183 4.379 1.00 0.00 C ATOM 1473 CZ TYR A 92 -1.462 -11.957 3.455 1.00 0.00 C ATOM 1474 OH TYR A 92 -2.402 -12.869 3.877 1.00 0.00 O ATOM 0 H TYR A 92 2.286 -8.690 -0.488 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.110 -8.041 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.341 -9.651 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.815 -8.534 3.001 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.038 -10.805 0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.669 -9.663 4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.717 -12.431 1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.007 -11.291 5.432 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.775 -12.580 4.736 1.00 0.00 H new ATOM 1484 N LEU A 93 0.863 -5.935 2.047 1.00 0.00 N ATOM 1485 CA LEU A 93 1.337 -4.594 2.371 1.00 0.00 C ATOM 1486 C LEU A 93 2.144 -4.614 3.665 1.00 0.00 C ATOM 1487 O LEU A 93 1.697 -4.107 4.695 1.00 0.00 O ATOM 1488 CB LEU A 93 0.171 -3.607 2.509 1.00 0.00 C ATOM 1489 CG LEU A 93 -0.936 -3.723 1.457 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.299 -3.521 2.092 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.737 -2.704 0.353 1.00 0.00 C ATOM 0 H LEU A 93 -0.049 -6.166 2.442 1.00 0.00 H new ATOM 0 HA LEU A 93 1.974 -4.263 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.276 -3.739 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.573 -2.594 2.475 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.886 -4.724 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.072 -3.607 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.459 -4.279 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.346 -2.531 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.535 -2.805 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.758 -1.700 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.226 -2.874 -0.130 1.00 0.00 H new ATOM 1503 N VAL A 94 3.332 -5.207 3.608 1.00 0.00 N ATOM 1504 CA VAL A 94 4.197 -5.298 4.779 1.00 0.00 C ATOM 1505 C VAL A 94 4.497 -3.905 5.351 1.00 0.00 C ATOM 1506 O VAL A 94 3.640 -3.306 6.000 1.00 0.00 O ATOM 1507 CB VAL A 94 5.504 -6.056 4.446 1.00 0.00 C ATOM 1508 CG1 VAL A 94 6.121 -5.533 3.159 1.00 0.00 C ATOM 1509 CG2 VAL A 94 6.494 -5.996 5.606 1.00 0.00 C ATOM 0 H VAL A 94 3.718 -5.631 2.764 1.00 0.00 H new ATOM 0 HA VAL A 94 3.667 -5.866 5.544 1.00 0.00 H new ATOM 0 HB VAL A 94 5.252 -7.105 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.039 -6.082 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.418 -5.669 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.349 -4.473 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.401 -6.538 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.742 -4.956 5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.047 -6.451 6.490 1.00 0.00 H new ATOM 1519 N ARG A 95 5.701 -3.390 5.114 1.00 0.00 N ATOM 1520 CA ARG A 95 6.077 -2.074 5.619 1.00 0.00 C ATOM 1521 C ARG A 95 7.421 -1.624 5.081 1.00 0.00 C ATOM 1522 O ARG A 95 8.116 -2.355 4.375 1.00 0.00 O ATOM 1523 CB ARG A 95 6.140 -2.031 7.144 1.00 0.00 C ATOM 1524 CG ARG A 95 4.837 -1.605 7.801 1.00 0.00 C ATOM 1525 CD ARG A 95 4.209 -2.743 8.591 1.00 0.00 C ATOM 1526 NE ARG A 95 4.767 -2.848 9.937 1.00 0.00 N ATOM 1527 CZ ARG A 95 4.223 -3.574 10.911 1.00 0.00 C ATOM 1528 NH1 ARG A 95 3.104 -4.255 10.693 1.00 0.00 N ATOM 1529 NH2 ARG A 95 4.796 -3.618 12.106 1.00 0.00 N ATOM 0 H ARG A 95 6.429 -3.862 4.578 1.00 0.00 H new ATOM 0 HA ARG A 95 5.294 -1.400 5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.417 -3.018 7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.930 -1.344 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.023 -0.760 8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.139 -1.263 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.132 -2.588 8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.364 -3.682 8.060 1.00 0.00 H new ATOM 0 HE ARG A 95 5.624 -2.335 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.658 -4.223 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.691 -4.810 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.654 -3.095 12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.378 -4.175 12.852 1.00 0.00 H new ATOM 1543 N ALA A 96 7.764 -0.399 5.439 1.00 0.00 N ATOM 1544 CA ALA A 96 9.010 0.216 5.034 1.00 0.00 C ATOM 1545 C ALA A 96 10.186 -0.336 5.836 1.00 0.00 C ATOM 1546 O ALA A 96 10.146 -0.379 7.065 1.00 0.00 O ATOM 1547 CB ALA A 96 8.898 1.709 5.246 1.00 0.00 C ATOM 0 H ALA A 96 7.180 0.199 6.023 1.00 0.00 H new ATOM 0 HA ALA A 96 9.193 -0.007 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.829 2.190 4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.077 2.101 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.707 1.914 6.299 1.00 0.00 H new ATOM 1553 N LEU A 97 11.232 -0.755 5.130 1.00 0.00 N ATOM 1554 CA LEU A 97 12.423 -1.301 5.773 1.00 0.00 C ATOM 1555 C LEU A 97 12.094 -2.568 6.558 1.00 0.00 C ATOM 1556 O LEU A 97 10.929 -2.945 6.688 1.00 0.00 O ATOM 1557 CB LEU A 97 13.053 -0.256 6.701 1.00 0.00 C ATOM 1558 CG LEU A 97 14.363 0.350 6.195 1.00 0.00 C ATOM 1559 CD1 LEU A 97 14.109 1.241 4.989 1.00 0.00 C ATOM 1560 CD2 LEU A 97 15.050 1.133 7.304 1.00 0.00 C ATOM 0 H LEU A 97 11.279 -0.727 4.111 1.00 0.00 H new ATOM 0 HA LEU A 97 13.137 -1.561 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.335 0.549 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 97 13.234 -0.716 7.672 1.00 0.00 H new ATOM 0 HG LEU A 97 15.022 -0.462 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 97 15.053 1.663 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 97 13.660 0.652 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 97 13.432 2.048 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.980 1.557 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 97 14.395 1.936 7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 97 15.267 0.467 8.139 1.00 0.00 H new ATOM 1572 N GLN A 98 13.130 -3.220 7.078 1.00 0.00 N ATOM 1573 CA GLN A 98 12.955 -4.445 7.849 1.00 0.00 C ATOM 1574 C GLN A 98 12.112 -4.189 9.094 1.00 0.00 C ATOM 1575 O GLN A 98 12.507 -3.328 9.908 1.00 0.00 O ATOM 1576 CB GLN A 98 14.316 -5.019 8.250 1.00 0.00 C ATOM 1577 CG GLN A 98 15.274 -3.981 8.812 1.00 0.00 C ATOM 1578 CD GLN A 98 16.156 -4.538 9.912 1.00 0.00 C ATOM 1579 OE1 GLN A 98 15.754 -5.437 10.650 1.00 0.00 O ATOM 1580 NE2 GLN A 98 17.367 -4.006 10.027 1.00 0.00 N ATOM 1581 OXT GLN A 98 11.064 -4.852 9.245 1.00 0.00 O ATOM 0 H GLN A 98 14.100 -2.920 6.979 1.00 0.00 H new ATOM 0 HA GLN A 98 12.434 -5.168 7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.166 -5.802 8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.773 -5.489 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.901 -3.597 8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.703 -3.138 9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.659 -3.262 9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.005 -4.341 10.749 1.00 0.00 H new TER 1590 GLN A 98